Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/ros/g16/l1.exe "/home/ros/tmp/Gau-2199433.inp" -scrdir="/home/ros/tmp/" Entering Link 1 = /home/ros/g16/l1.exe PID= 2199435. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision A.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016. ****************************************** Gaussian 16: ES64L-G16RevA.03 25-Dec-2016 3-May-2024 ****************************************** %chk=gau.chk %mem=16GB %nprocshared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 7.257 -4.752 2.216 C 7.073 -5.521 3.549 O 7.618 -5.694 1.192 N 2.944 -1.092 0.048 C 4.33 -1.393 0.28 C 4.727 -2.586 0.939 N 3.94 -3.58 1.431 C 4.705 -4.457 1.944 N 6.038 -4.066 1.806 C 5.971 -2.861 1.16 N 6.968 -2.021 0.77 C 6.647 -0.926 0.172 N 5.255 -0.59 -0.082 H 8.076 -4.01 2.307 H 8.018 -6.019 3.815 H 6.794 -4.817 4.347 N 4.181 -5.57 2.515 H 6.283 -6.275 3.435 H 8.483 -6.171 1.437 C 2.917 -5.527 2.5 H 7.421 -0.261 -0.145 C 2.025 -1.936 0.328 H 2.26 -2.864 0.713 N 0.723 -1.636 0.122 C 0.371 -0.354 -0.411 C -0.301 -2.611 0.417 H -0.722 -0.265 -0.519 H 0.866 -0.228 -1.384 H 0.759 0.428 0.259 H -1.172 -2.443 -0.24 H -0.624 -2.487 1.464 H 0.102 -3.626 0.292 N 2.188 -6.522 3. H 2.448 -4.691 2.082 C 0.752 -6.441 2.995 C 2.85 -7.694 3.501 H 0.317 -7.321 3.503 H 0.401 -6.394 1.952 H 0.439 -5.51 3.492 H 2.134 -8.337 4.034 H 3.677 -7.393 4.162 H 3.283 -8.243 2.652 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5499 estimate D2E/DX2 ! ! R2 R(1,3) 1.4374 estimate D2E/DX2 ! ! R3 R(1,9) 1.4576 estimate D2E/DX2 ! ! R4 R(1,14) 1.1089 estimate D2E/DX2 ! ! R5 R(2,15) 1.1008 estimate D2E/DX2 ! ! R6 R(2,16) 1.1001 estimate D2E/DX2 ! ! R7 R(2,18) 1.098 estimate D2E/DX2 ! ! R8 R(3,19) 1.0177 estimate D2E/DX2 ! ! R9 R(4,5) 1.4372 estimate D2E/DX2 ! ! R10 R(4,22) 1.2788 estimate D2E/DX2 ! ! R11 R(5,6) 1.4196 estimate D2E/DX2 ! ! R12 R(5,13) 1.2773 estimate D2E/DX2 ! ! R13 R(6,7) 1.36 estimate D2E/DX2 ! ! R14 R(6,10) 1.2931 estimate D2E/DX2 ! ! R15 R(7,8) 1.2718 estimate D2E/DX2 ! ! R16 R(8,9) 1.396 estimate D2E/DX2 ! ! R17 R(8,17) 1.3562 estimate D2E/DX2 ! ! R18 R(9,10) 1.3689 estimate D2E/DX2 ! ! R19 R(10,11) 1.3608 estimate D2E/DX2 ! ! R20 R(11,12) 1.2883 estimate D2E/DX2 ! ! R21 R(12,13) 1.4543 estimate D2E/DX2 ! ! R22 R(12,21) 1.0685 estimate D2E/DX2 ! ! R23 R(17,20) 1.2648 estimate D2E/DX2 ! ! R24 R(20,33) 1.331 estimate D2E/DX2 ! ! R25 R(20,34) 1.0457 estimate D2E/DX2 ! ! R26 R(22,23) 1.0318 estimate D2E/DX2 ! ! R27 R(22,24) 1.3519 estimate D2E/DX2 ! ! R28 R(24,25) 1.4323 estimate D2E/DX2 ! ! R29 R(24,26) 1.4444 estimate D2E/DX2 ! ! R30 R(25,27) 1.1019 estimate D2E/DX2 ! ! R31 R(25,28) 1.0989 estimate D2E/DX2 ! ! R32 R(25,29) 1.1004 estimate D2E/DX2 ! ! R33 R(26,30) 1.1039 estimate D2E/DX2 ! ! R34 R(26,31) 1.1027 estimate D2E/DX2 ! ! R35 R(26,32) 1.0992 estimate D2E/DX2 ! ! R36 R(33,35) 1.4383 estimate D2E/DX2 ! ! R37 R(33,36) 1.4363 estimate D2E/DX2 ! ! R38 R(35,37) 1.1053 estimate D2E/DX2 ! ! R39 R(35,38) 1.1015 estimate D2E/DX2 ! ! R40 R(35,39) 1.1008 estimate D2E/DX2 ! ! R41 R(36,40) 1.1001 estimate D2E/DX2 ! ! R42 R(36,41) 1.1007 estimate D2E/DX2 ! ! R43 R(36,42) 1.0999 estimate D2E/DX2 ! ! A1 A(2,1,3) 108.5029 estimate D2E/DX2 ! ! A2 A(2,1,9) 112.0953 estimate D2E/DX2 ! ! A3 A(2,1,14) 110.4331 estimate D2E/DX2 ! ! A4 A(3,1,9) 108.546 estimate D2E/DX2 ! ! A5 A(3,1,14) 108.1486 estimate D2E/DX2 ! ! A6 A(9,1,14) 109.0164 estimate D2E/DX2 ! ! A7 A(1,2,15) 109.2916 estimate D2E/DX2 ! ! A8 A(1,2,16) 109.6619 estimate D2E/DX2 ! ! A9 A(1,2,18) 109.6845 estimate D2E/DX2 ! ! A10 A(15,2,16) 109.3862 estimate D2E/DX2 ! ! A11 A(15,2,18) 109.395 estimate D2E/DX2 ! ! A12 A(16,2,18) 109.4075 estimate D2E/DX2 ! ! A13 A(1,3,19) 110.4326 estimate D2E/DX2 ! ! A14 A(5,4,22) 121.2981 estimate D2E/DX2 ! ! A15 A(4,5,6) 121.3769 estimate D2E/DX2 ! ! A16 A(4,5,13) 121.3986 estimate D2E/DX2 ! ! A17 A(6,5,13) 117.218 estimate D2E/DX2 ! ! A18 A(5,6,7) 128.3428 estimate D2E/DX2 ! ! A19 A(5,6,10) 121.8117 estimate D2E/DX2 ! ! A20 A(7,6,10) 109.8442 estimate D2E/DX2 ! ! A21 A(6,7,8) 107.5686 estimate D2E/DX2 ! ! A22 A(7,8,9) 109.9588 estimate D2E/DX2 ! ! A23 A(7,8,17) 120.2196 estimate D2E/DX2 ! ! A24 A(9,8,17) 129.8216 estimate D2E/DX2 ! ! A25 A(1,9,8) 129.7122 estimate D2E/DX2 ! ! A26 A(1,9,10) 126.0125 estimate D2E/DX2 ! ! A27 A(8,9,10) 104.2687 estimate D2E/DX2 ! ! A28 A(6,10,9) 108.3583 estimate D2E/DX2 ! ! A29 A(6,10,11) 121.6418 estimate D2E/DX2 ! ! A30 A(9,10,11) 129.9999 estimate D2E/DX2 ! ! A31 A(10,11,12) 118.3697 estimate D2E/DX2 ! ! A32 A(11,12,13) 121.0598 estimate D2E/DX2 ! ! A33 A(11,12,21) 119.0906 estimate D2E/DX2 ! ! A34 A(13,12,21) 119.8486 estimate D2E/DX2 ! ! A35 A(5,13,12) 119.8947 estimate D2E/DX2 ! ! A36 A(8,17,20) 110.6843 estimate D2E/DX2 ! ! A37 A(17,20,33) 121.1645 estimate D2E/DX2 ! ! A38 A(17,20,34) 118.6927 estimate D2E/DX2 ! ! A39 A(33,20,34) 120.1425 estimate D2E/DX2 ! ! A40 A(4,22,23) 120.7719 estimate D2E/DX2 ! ! A41 A(4,22,24) 120.817 estimate D2E/DX2 ! ! A42 A(23,22,24) 118.4107 estimate D2E/DX2 ! ! A43 A(22,24,25) 119.4728 estimate D2E/DX2 ! ! A44 A(22,24,26) 120.1237 estimate D2E/DX2 ! ! A45 A(25,24,26) 120.3953 estimate D2E/DX2 ! ! A46 A(24,25,27) 110.6422 estimate D2E/DX2 ! ! A47 A(24,25,28) 108.7483 estimate D2E/DX2 ! ! A48 A(24,25,29) 108.8342 estimate D2E/DX2 ! ! A49 A(27,25,28) 110.5334 estimate D2E/DX2 ! ! A50 A(27,25,29) 110.6102 estimate D2E/DX2 ! ! A51 A(28,25,29) 107.3845 estimate D2E/DX2 ! ! A52 A(24,26,30) 109.5789 estimate D2E/DX2 ! ! A53 A(24,26,31) 109.0071 estimate D2E/DX2 ! ! A54 A(24,26,32) 109.8872 estimate D2E/DX2 ! ! A55 A(30,26,31) 108.4745 estimate D2E/DX2 ! ! A56 A(30,26,32) 111.2315 estimate D2E/DX2 ! ! A57 A(31,26,32) 108.6149 estimate D2E/DX2 ! ! A58 A(20,33,35) 120.2281 estimate D2E/DX2 ! ! A59 A(20,33,36) 119.2497 estimate D2E/DX2 ! ! A60 A(35,33,36) 120.4878 estimate D2E/DX2 ! ! A61 A(33,35,37) 110.2731 estimate D2E/DX2 ! ! A62 A(33,35,38) 108.8959 estimate D2E/DX2 ! ! A63 A(33,35,39) 109.2657 estimate D2E/DX2 ! ! A64 A(37,35,38) 110.1063 estimate D2E/DX2 ! ! A65 A(37,35,39) 110.7289 estimate D2E/DX2 ! ! A66 A(38,35,39) 107.5072 estimate D2E/DX2 ! ! A67 A(33,36,40) 110.2411 estimate D2E/DX2 ! ! A68 A(33,36,41) 109.4297 estimate D2E/DX2 ! ! A69 A(33,36,42) 108.6334 estimate D2E/DX2 ! ! A70 A(40,36,41) 110.9717 estimate D2E/DX2 ! ! A71 A(40,36,42) 109.7841 estimate D2E/DX2 ! ! A72 A(41,36,42) 107.7146 estimate D2E/DX2 ! ! D1 D(3,1,2,15) 60.2041 estimate D2E/DX2 ! ! D2 D(3,1,2,16) -179.8937 estimate D2E/DX2 ! ! D3 D(3,1,2,18) -59.7228 estimate D2E/DX2 ! ! D4 D(9,1,2,15) -179.9384 estimate D2E/DX2 ! ! D5 D(9,1,2,16) -60.0362 estimate D2E/DX2 ! ! D6 D(9,1,2,18) 60.1348 estimate D2E/DX2 ! ! D7 D(14,1,2,15) -58.1678 estimate D2E/DX2 ! ! D8 D(14,1,2,16) 61.7345 estimate D2E/DX2 ! ! D9 D(14,1,2,18) -178.0946 estimate D2E/DX2 ! ! D10 D(2,1,3,19) -59.6151 estimate D2E/DX2 ! ! D11 D(9,1,3,19) 178.3354 estimate D2E/DX2 ! ! D12 D(14,1,3,19) 60.194 estimate D2E/DX2 ! ! D13 D(2,1,9,8) -35.8568 estimate D2E/DX2 ! ! D14 D(2,1,9,10) 145.2326 estimate D2E/DX2 ! ! D15 D(3,1,9,8) 83.9755 estimate D2E/DX2 ! ! D16 D(3,1,9,10) -94.935 estimate D2E/DX2 ! ! D17 D(14,1,9,8) -158.4349 estimate D2E/DX2 ! ! D18 D(14,1,9,10) 22.6546 estimate D2E/DX2 ! ! D19 D(22,4,5,6) -5.7768 estimate D2E/DX2 ! ! D20 D(22,4,5,13) 175.1778 estimate D2E/DX2 ! ! D21 D(5,4,22,23) -1.1252 estimate D2E/DX2 ! ! D22 D(5,4,22,24) 179.1315 estimate D2E/DX2 ! ! D23 D(4,5,6,7) -0.0031 estimate D2E/DX2 ! ! D24 D(4,5,6,10) -179.5326 estimate D2E/DX2 ! ! D25 D(13,5,6,7) 179.0807 estimate D2E/DX2 ! ! D26 D(13,5,6,10) -0.4488 estimate D2E/DX2 ! ! D27 D(4,5,13,12) 179.8528 estimate D2E/DX2 ! ! D28 D(6,5,13,12) 0.7692 estimate D2E/DX2 ! ! D29 D(5,6,7,8) -179.8171 estimate D2E/DX2 ! ! D30 D(10,6,7,8) -0.2422 estimate D2E/DX2 ! ! D31 D(5,6,10,9) 179.9847 estimate D2E/DX2 ! ! D32 D(5,6,10,11) -0.11 estimate D2E/DX2 ! ! D33 D(7,6,10,9) 0.377 estimate D2E/DX2 ! ! D34 D(7,6,10,11) -179.7176 estimate D2E/DX2 ! ! D35 D(6,7,8,9) 0.0075 estimate D2E/DX2 ! ! D36 D(6,7,8,17) 179.9663 estimate D2E/DX2 ! ! D37 D(7,8,9,1) -178.8804 estimate D2E/DX2 ! ! D38 D(7,8,9,10) 0.2103 estimate D2E/DX2 ! ! D39 D(17,8,9,1) 1.1659 estimate D2E/DX2 ! ! D40 D(17,8,9,10) -179.7434 estimate D2E/DX2 ! ! D41 D(7,8,17,20) -3.2313 estimate D2E/DX2 ! ! D42 D(9,8,17,20) 176.7184 estimate D2E/DX2 ! ! D43 D(1,9,10,6) 178.7805 estimate D2E/DX2 ! ! D44 D(1,9,10,11) -1.1143 estimate D2E/DX2 ! ! D45 D(8,9,10,6) -0.3547 estimate D2E/DX2 ! ! D46 D(8,9,10,11) 179.7504 estimate D2E/DX2 ! ! D47 D(6,10,11,12) 0.2983 estimate D2E/DX2 ! ! D48 D(9,10,11,12) -179.819 estimate D2E/DX2 ! ! D49 D(10,11,12,13) 0.0412 estimate D2E/DX2 ! ! D50 D(10,11,12,21) -179.599 estimate D2E/DX2 ! ! D51 D(11,12,13,5) -0.6066 estimate D2E/DX2 ! ! D52 D(21,12,13,5) 179.0309 estimate D2E/DX2 ! ! D53 D(8,17,20,33) 179.467 estimate D2E/DX2 ! ! D54 D(8,17,20,34) -0.3421 estimate D2E/DX2 ! ! D55 D(17,20,33,35) 178.8416 estimate D2E/DX2 ! ! D56 D(17,20,33,36) -3.2827 estimate D2E/DX2 ! ! D57 D(34,20,33,35) -1.3521 estimate D2E/DX2 ! ! D58 D(34,20,33,36) 176.5237 estimate D2E/DX2 ! ! D59 D(4,22,24,25) -0.2799 estimate D2E/DX2 ! ! D60 D(4,22,24,26) 178.687 estimate D2E/DX2 ! ! D61 D(23,22,24,25) 179.9709 estimate D2E/DX2 ! ! D62 D(23,22,24,26) -1.0623 estimate D2E/DX2 ! ! D63 D(22,24,25,27) -179.9892 estimate D2E/DX2 ! ! D64 D(22,24,25,28) 58.4311 estimate D2E/DX2 ! ! D65 D(22,24,25,29) -58.2581 estimate D2E/DX2 ! ! D66 D(26,24,25,27) 1.0468 estimate D2E/DX2 ! ! D67 D(26,24,25,28) -120.5329 estimate D2E/DX2 ! ! D68 D(26,24,25,29) 122.7779 estimate D2E/DX2 ! ! D69 D(22,24,26,30) -151.5045 estimate D2E/DX2 ! ! D70 D(22,24,26,31) 89.925 estimate D2E/DX2 ! ! D71 D(22,24,26,32) -28.998 estimate D2E/DX2 ! ! D72 D(25,24,26,30) 27.4527 estimate D2E/DX2 ! ! D73 D(25,24,26,31) -91.1178 estimate D2E/DX2 ! ! D74 D(25,24,26,32) 149.9592 estimate D2E/DX2 ! ! D75 D(20,33,35,37) -176.4785 estimate D2E/DX2 ! ! D76 D(20,33,35,38) 62.6059 estimate D2E/DX2 ! ! D77 D(20,33,35,39) -54.5533 estimate D2E/DX2 ! ! D78 D(36,33,35,37) 5.6723 estimate D2E/DX2 ! ! D79 D(36,33,35,38) -115.2433 estimate D2E/DX2 ! ! D80 D(36,33,35,39) 127.5975 estimate D2E/DX2 ! ! D81 D(20,33,36,40) 170.0944 estimate D2E/DX2 ! ! D82 D(20,33,36,41) 47.7796 estimate D2E/DX2 ! ! D83 D(20,33,36,42) -69.5712 estimate D2E/DX2 ! ! D84 D(35,33,36,40) -12.0355 estimate D2E/DX2 ! ! D85 D(35,33,36,41) -134.3503 estimate D2E/DX2 ! ! D86 D(35,33,36,42) 108.2989 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04 Number of steps in this run= 211 maximum allowed number of steps= 252. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.257000 -4.752000 2.216000 2 6 0 7.073000 -5.521000 3.549000 3 8 0 7.618000 -5.694000 1.192000 4 7 0 2.944000 -1.092000 0.048000 5 6 0 4.330000 -1.393000 0.280000 6 6 0 4.727000 -2.586000 0.939000 7 7 0 3.940000 -3.580000 1.431000 8 6 0 4.705000 -4.457000 1.944000 9 7 0 6.038000 -4.066000 1.806000 10 6 0 5.971000 -2.861000 1.160000 11 7 0 6.968000 -2.021000 0.770000 12 6 0 6.647000 -0.926000 0.172000 13 7 0 5.255000 -0.590000 -0.082000 14 1 0 8.076000 -4.010000 2.307000 15 1 0 8.018000 -6.019000 3.815000 16 1 0 6.794000 -4.817000 4.347000 17 7 0 4.181000 -5.570000 2.515000 18 1 0 6.283000 -6.275000 3.435000 19 1 0 8.483000 -6.171000 1.437000 20 6 0 2.917000 -5.527000 2.500000 21 1 0 7.421000 -0.261000 -0.145000 22 6 0 2.025000 -1.936000 0.328000 23 1 0 2.260000 -2.864000 0.713000 24 7 0 0.723000 -1.636000 0.122000 25 6 0 0.371000 -0.354000 -0.411000 26 6 0 -0.301000 -2.611000 0.417000 27 1 0 -0.722000 -0.265000 -0.519000 28 1 0 0.866000 -0.228000 -1.384000 29 1 0 0.759000 0.428000 0.259000 30 1 0 -1.172000 -2.443000 -0.240000 31 1 0 -0.624000 -2.487000 1.464000 32 1 0 0.102000 -3.626000 0.292000 33 7 0 2.188000 -6.522000 3.000000 34 1 0 2.448000 -4.691000 2.082000 35 6 0 0.752000 -6.441000 2.995000 36 6 0 2.850000 -7.694000 3.501000 37 1 0 0.317000 -7.321000 3.503000 38 1 0 0.401000 -6.394000 1.952000 39 1 0 0.439000 -5.510000 3.492000 40 1 0 2.134000 -8.337000 4.034000 41 1 0 3.677000 -7.393000 4.162000 42 1 0 3.283000 -8.243000 2.652000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.549873 0.000000 3 O 1.437449 2.425367 0.000000 4 N 6.057870 6.994404 6.658334 0.000000 5 C 4.857809 5.937238 5.490108 1.437157 0.000000 6 C 3.566957 4.574936 4.252241 2.490985 1.419556 7 N 3.604483 4.250776 4.248976 3.015767 2.501973 8 C 2.583353 3.052138 3.252882 4.244898 3.506796 9 N 1.457620 2.495255 2.350272 4.637680 3.520067 10 C 2.518891 3.741300 3.277121 3.678129 2.371140 11 N 3.103675 4.470332 3.753866 4.192481 2.755636 12 C 4.380447 5.718359 4.971626 3.708792 2.366060 13 N 5.158590 6.387804 5.766946 2.368465 1.277293 14 H 1.108876 2.198111 2.070953 6.321015 4.998993 15 H 2.177432 1.100811 2.673154 8.013183 6.891839 16 H 2.181686 1.100119 3.376704 6.868735 5.859655 17 N 3.196921 3.071680 3.684925 5.260109 4.739700 18 H 2.180405 1.098004 2.674105 7.034499 6.132060 19 H 2.030635 2.621287 1.017732 7.642387 6.435475 20 C 4.417791 4.286347 4.882433 5.067767 4.900503 21 H 5.076445 6.436951 5.598559 4.557558 3.319086 22 C 6.234439 6.979210 6.793431 1.278787 2.368581 23 H 5.549195 6.186074 6.078364 2.012477 2.576088 24 N 7.535745 8.195124 8.071759 2.287849 3.618627 25 C 8.582571 9.343249 9.143534 2.715816 4.150986 26 C 8.058762 8.523696 8.533234 3.601881 4.790454 27 H 9.553943 10.243836 10.097384 3.800654 5.237699 28 H 8.618089 9.532953 9.061039 2.667434 4.015647 29 H 8.537345 9.278001 9.240955 2.670046 4.008556 30 H 9.078076 9.581786 9.480703 4.341613 5.625380 31 H 8.234433 8.532068 8.848130 4.084324 5.209684 32 H 7.494243 7.924261 7.847094 3.815450 4.781466 33 N 5.426077 5.016635 5.782677 6.226615 6.188150 34 H 4.811253 4.922562 5.341068 4.163649 4.203086 35 C 6.765692 6.411580 7.137981 6.488565 6.756894 36 C 5.452361 4.749522 5.662624 7.451070 7.229650 37 H 7.511307 6.991828 7.828950 7.592009 7.850674 38 H 7.054828 6.915788 7.290589 6.180879 6.575913 39 H 6.977669 6.634254 7.540683 6.136358 6.512028 40 H 6.511719 5.706032 6.718383 8.308689 8.193538 41 H 4.855739 3.925935 5.219098 7.560746 7.176095 42 H 5.307528 4.751631 5.236528 7.617909 7.324281 6 7 8 9 10 6 C 0.000000 7 N 1.359952 0.000000 8 C 2.123947 1.271819 0.000000 9 N 2.158891 2.185961 1.395999 0.000000 10 C 1.293059 2.171489 2.182803 1.368879 0.000000 11 N 2.317297 3.469321 3.526123 2.473908 1.360775 12 C 2.651469 3.994577 4.402194 3.591718 2.275378 13 N 2.303311 3.599791 4.400098 4.032395 2.685640 14 H 3.887802 4.249561 3.419827 2.099424 2.658352 15 H 5.557657 5.316226 4.112962 3.430844 4.605670 16 H 4.567747 4.263630 3.204361 2.755398 3.828869 17 N 3.418501 2.278867 1.356240 2.492618 3.518353 18 H 4.718037 4.094959 2.831658 2.755603 4.114409 19 H 5.216106 5.229930 4.179489 3.247339 4.164490 20 C 3.789763 2.445424 2.156613 3.515224 4.269669 21 H 3.719989 5.061314 5.417286 4.494120 3.250465 22 C 2.845457 2.754373 4.018619 4.777610 4.137483 23 H 2.492880 1.962289 3.167181 4.112510 3.737825 24 N 4.195474 3.980164 5.209035 6.081939 5.488130 25 C 5.077308 5.151485 6.415933 7.128038 6.333490 26 C 5.055086 4.466905 5.549728 6.650509 6.320802 27 H 6.099541 6.043672 7.286396 8.096346 7.372551 28 H 5.085648 5.348795 6.610442 7.187206 6.282169 29 H 5.029077 5.249420 6.501797 7.103315 6.228504 30 H 6.017366 5.497050 6.585224 7.668399 7.290897 31 H 5.377604 4.693169 5.701714 6.855104 6.612588 32 H 4.784437 4.003708 4.960572 6.141815 5.981957 33 N 5.117259 3.766514 3.422667 4.720177 5.576702 34 H 3.306254 1.970834 2.273290 3.654436 4.075600 35 C 5.906673 4.560127 4.546104 5.915754 6.589506 36 C 6.014868 4.732652 4.042702 5.118472 6.211184 37 H 6.960059 5.604855 5.466948 6.797402 7.572910 38 H 5.851607 4.551325 4.719793 6.100547 6.643362 39 H 5.783989 4.497735 4.658741 6.023000 6.561894 40 H 7.026854 5.715443 5.102209 6.200536 7.277982 41 H 5.881962 4.697499 3.820524 4.711049 5.900294 42 H 6.084501 4.864777 4.105745 5.074748 6.198172 11 12 13 14 15 11 N 0.000000 12 C 1.288282 0.000000 13 N 2.389149 1.454330 0.000000 14 H 2.747026 4.013891 5.036046 0.000000 15 H 5.134056 6.410128 7.231516 2.512670 0.000000 16 H 4.543437 5.708950 6.312851 2.540939 1.796108 17 N 4.838160 5.756522 5.718241 4.200939 4.076048 18 H 5.066356 6.276262 6.763527 3.101203 1.794481 19 H 4.467954 5.699223 6.623814 2.364840 2.427800 20 C 5.629879 6.364093 6.042097 5.380875 5.290698 21 H 2.034707 1.068546 2.191750 4.527287 7.013742 22 C 4.963450 4.733637 3.523168 6.695709 8.046497 23 H 4.783217 4.826416 3.843582 6.138404 7.261611 24 N 6.290322 5.966605 4.655616 8.029739 9.277174 25 C 6.906089 6.328922 4.900754 8.951027 10.412872 26 C 7.301443 7.153597 5.933176 8.700772 9.610756 27 H 7.992569 7.430785 6.001760 9.970763 11.326062 28 H 6.714832 6.027296 4.592338 8.939301 10.569597 29 H 6.694057 6.042303 4.622404 8.799354 10.339344 30 H 8.213269 7.975449 6.690658 9.719475 10.662406 31 H 7.637883 7.548074 6.367995 8.872439 9.627377 32 H 7.067281 7.081061 5.992544 8.233611 8.988940 33 N 6.933996 7.693860 7.354851 6.438861 5.908141 34 H 5.411159 5.954404 5.420364 5.673515 5.982623 35 C 7.945167 8.551934 7.998696 7.747521 7.324291 36 C 7.523245 8.444245 8.311963 6.504504 5.441732 37 H 8.932810 9.594816 9.085286 8.520283 7.816518 38 H 7.977828 8.489991 7.834851 8.044570 7.850483 39 H 7.887347 8.400876 7.757173 7.872610 7.602937 40 H 8.597273 9.497638 9.311182 7.550684 6.327918 41 H 7.155049 8.158621 8.172052 5.851232 4.566461 42 H 7.472244 8.426469 8.362532 6.403918 5.359008 16 17 18 19 20 16 H 0.000000 17 N 3.278872 0.000000 18 H 1.794054 2.400381 0.000000 19 H 3.626863 4.475543 2.973688 0.000000 20 C 4.352774 1.264820 3.572630 5.703075 0.000000 21 H 6.428711 6.764516 7.090814 6.209563 7.417061 22 C 6.869926 4.757863 6.827220 7.801979 4.290516 23 H 6.130034 3.776226 5.935380 7.084219 3.273620 24 N 8.051486 5.758521 7.963033 9.083669 5.060474 25 C 9.154882 7.091138 9.208784 10.151706 6.458790 26 C 8.405377 5.765901 8.116790 9.532715 4.816375 27 H 10.044347 7.835023 10.041127 11.110301 7.074272 28 H 9.436338 7.397864 9.441020 10.064590 6.882693 29 H 8.980144 7.264683 9.248338 10.227153 6.718710 30 H 9.493872 6.784008 9.152424 10.484719 5.808492 31 H 8.292606 5.804956 8.120372 9.823952 4.780541 32 H 7.914820 5.035783 7.422965 8.833414 4.051332 33 N 5.092806 2.261322 4.125440 6.495629 1.330964 34 H 4.902430 1.990834 4.364274 6.247211 1.045744 35 C 6.400863 3.570306 5.550956 7.891047 2.401592 36 C 4.954592 2.693535 3.715294 6.189533 2.387965 37 H 6.995276 4.355760 6.057384 8.501436 3.314279 38 H 7.006668 3.909520 6.067238 8.101461 2.717029 39 H 6.449597 3.867906 5.894134 8.328618 2.669239 40 H 5.848416 3.762161 4.671707 7.193453 3.295807 41 H 4.047924 2.507978 2.927403 5.658316 2.611858 42 H 5.190147 2.823137 3.672344 5.727950 2.744762 21 22 23 24 25 21 H 0.000000 22 C 5.669759 0.000000 23 H 5.843603 1.031811 0.000000 24 N 6.842888 1.351902 2.054175 0.000000 25 C 7.055629 2.405111 3.336435 1.432312 0.000000 26 C 8.091207 2.423597 2.590434 1.444377 2.496241 27 H 8.151585 3.325005 4.143060 2.092498 1.101923 28 H 6.671149 2.681695 3.645427 2.066627 1.098922 29 H 6.709708 2.682539 3.646420 2.068855 1.100440 30 H 8.866217 3.286409 3.586652 2.091248 2.602693 31 H 8.500940 2.934501 3.003928 2.083164 3.009209 32 H 8.067339 2.560337 2.326983 2.091564 3.357462 33 N 8.745023 5.310136 4.314686 5.856800 7.278780 34 H 7.022475 3.293246 2.290728 4.018737 5.416507 35 C 9.619125 5.387805 4.502945 5.598481 6.985525 36 C 9.457106 6.625943 5.608025 7.255421 8.678985 37 H 10.659189 6.480441 5.605729 6.626856 7.991333 38 H 9.554658 5.014830 4.177547 5.107949 6.485851 39 H 9.461929 5.029887 4.247375 5.142512 6.467022 40 H 10.518469 7.397237 6.403019 7.886575 9.305616 41 H 9.134178 6.870772 5.866458 7.628287 9.021612 42 H 9.415868 6.838259 5.808605 7.523759 8.949750 26 27 28 29 30 26 C 0.000000 27 H 2.560674 0.000000 28 H 3.206896 1.808684 0.000000 29 H 3.222435 1.810772 1.772353 0.000000 30 H 1.103863 2.241434 3.220001 3.495769 0.000000 31 H 1.102685 2.979795 3.928649 3.444117 1.790490 32 H 1.099208 3.554296 3.865110 4.107025 1.818128 33 N 5.306876 7.746064 7.783417 7.606420 6.198826 34 H 3.828267 6.033538 5.868070 5.690361 4.852792 35 C 4.735377 7.256986 7.601974 7.393842 5.490993 36 C 6.728800 9.171130 9.140057 8.991648 7.598985 37 H 5.664752 8.187988 8.631038 8.412247 6.326299 38 H 4.142477 6.703105 7.026000 7.038046 4.784307 39 H 4.290388 6.704183 7.201196 6.768643 5.092115 40 H 7.197152 9.697615 9.834553 9.641912 7.995996 41 H 7.260650 9.595381 9.486678 9.214997 8.209318 42 H 7.039865 9.473318 9.293622 9.342551 7.864521 31 32 33 34 35 31 H 0.000000 32 H 1.788290 0.000000 33 N 5.152462 4.480120 0.000000 34 H 3.831021 3.137203 2.064676 0.000000 35 C 4.457741 3.956379 1.438291 2.602400 0.000000 36 C 6.582621 5.864965 1.436255 3.345620 2.495526 37 H 5.330156 4.899977 2.095722 3.671145 1.105300 38 H 4.068589 3.241423 2.075586 2.665955 1.101480 39 H 3.792266 3.728676 2.079714 2.587459 1.100790 40 H 6.959451 6.350205 2.089569 4.147555 2.565981 41 H 7.060215 6.476713 2.079905 3.624589 3.289957 42 H 7.057445 6.083178 2.069292 3.693079 3.125830 36 37 38 39 40 36 C 0.000000 37 H 2.560317 0.000000 38 H 3.176004 1.808863 0.000000 39 H 3.253130 1.815138 1.776091 0.000000 40 H 1.100088 2.148419 3.333656 3.340467 0.000000 41 H 1.100659 3.424772 4.076061 3.805159 1.813386 42 H 1.099860 3.220472 3.494957 4.032769 1.799711 41 42 41 H 0.000000 42 H 1.777030 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.247742 -1.466232 -0.055508 2 6 0 4.091574 -0.446673 -0.862078 3 8 0 3.711173 -1.466800 1.305187 4 7 0 -2.806588 -1.259762 -0.039930 5 6 0 -1.579750 -2.008101 -0.056583 6 6 0 -0.317583 -1.358453 -0.050888 7 7 0 -0.055592 -0.024132 -0.030474 8 6 0 1.208119 0.119107 -0.036775 9 7 0 1.829247 -1.130844 -0.062025 10 6 0 0.791273 -2.023188 -0.074718 11 7 0 0.807593 -3.383543 -0.104364 12 6 0 -0.318537 -4.009165 -0.114279 13 7 0 -1.579498 -3.284808 -0.095281 14 1 0 3.379310 -2.488045 -0.465624 15 1 0 5.151046 -0.743531 -0.827745 16 1 0 3.750886 -0.429420 -1.907972 17 7 0 1.754508 1.360308 -0.020555 18 1 0 3.979044 0.554346 -0.425145 19 1 0 4.694771 -1.725053 1.345419 20 6 0 0.852776 2.246030 -0.066896 21 1 0 -0.319157 -5.077580 -0.130983 22 6 0 -2.807064 0.012353 0.090527 23 1 0 -1.922786 0.531647 0.204634 24 7 0 -3.965980 0.708446 0.087436 25 6 0 -5.206809 0.010548 -0.070044 26 6 0 -3.951071 2.141880 0.264266 27 1 0 -6.053844 0.715122 -0.051580 28 1 0 -5.301870 -0.727747 0.738358 29 1 0 -5.184568 -0.543628 -1.020498 30 1 0 -4.896103 2.466582 0.733307 31 1 0 -3.867286 2.624735 -0.723532 32 1 0 -3.083601 2.434584 0.872608 33 7 0 1.158213 3.541379 -0.051236 34 1 0 -0.146863 1.942764 -0.115179 35 6 0 0.118042 4.531604 -0.129849 36 6 0 2.531573 3.936900 0.091154 37 1 0 0.556530 5.545517 -0.167256 38 1 0 -0.534974 4.433764 0.751773 39 1 0 -0.498583 4.340641 -1.021502 40 1 0 2.637438 5.016730 -0.090377 41 1 0 3.153880 3.357123 -0.607447 42 1 0 2.862342 3.696870 1.112266 --------------------------------------------------------------------- Rotational constants (GHZ): 0.2949428 0.2411620 0.1363793 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1853.8776722581 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 4.70D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.30057618 A.U. after 15 cycles NFock= 15 Conv=0.70D-08 -V/T= 2.0014 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.56506 -15.61645 -15.60684 -15.58162 -15.55129 Alpha occ. eigenvalues -- -15.54173 -15.53206 -15.52202 -15.51849 -11.33483 Alpha occ. eigenvalues -- -11.33153 -11.31956 -11.29682 -11.29638 -11.29328 Alpha occ. eigenvalues -- -11.28896 -11.27891 -11.27510 -11.27087 -11.24807 Alpha occ. eigenvalues -- -11.22346 -11.22068 -1.38527 -1.34504 -1.32163 Alpha occ. eigenvalues -- -1.28976 -1.27354 -1.23097 -1.20440 -1.17082 Alpha occ. eigenvalues -- -1.13491 -1.03083 -1.00101 -0.99649 -0.97682 Alpha occ. eigenvalues -- -0.96355 -0.93488 -0.88464 -0.86349 -0.85331 Alpha occ. eigenvalues -- -0.80090 -0.77991 -0.76625 -0.74062 -0.71536 Alpha occ. eigenvalues -- -0.69768 -0.69310 -0.67911 -0.66888 -0.66591 Alpha occ. eigenvalues -- -0.65094 -0.64433 -0.64078 -0.62165 -0.61331 Alpha occ. eigenvalues -- -0.60543 -0.59753 -0.58356 -0.58015 -0.57735 Alpha occ. eigenvalues -- -0.56045 -0.56006 -0.55258 -0.54860 -0.54273 Alpha occ. eigenvalues -- -0.53931 -0.53086 -0.50768 -0.49354 -0.47692 Alpha occ. eigenvalues -- -0.47251 -0.44492 -0.43006 -0.42622 -0.42517 Alpha occ. eigenvalues -- -0.39672 -0.38205 -0.37283 -0.35478 -0.31531 Alpha occ. eigenvalues -- -0.27871 Alpha virt. eigenvalues -- 0.11421 0.15503 0.17165 0.19353 0.21048 Alpha virt. eigenvalues -- 0.23161 0.23516 0.25035 0.25717 0.26625 Alpha virt. eigenvalues -- 0.28072 0.28888 0.29041 0.29742 0.29931 Alpha virt. eigenvalues -- 0.30601 0.30986 0.31316 0.31627 0.32260 Alpha virt. eigenvalues -- 0.32392 0.32677 0.34100 0.35069 0.36083 Alpha virt. eigenvalues -- 0.36617 0.37473 0.39164 0.41023 0.41592 Alpha virt. eigenvalues -- 0.42235 0.42774 0.43868 0.44794 0.46236 Alpha virt. eigenvalues -- 0.46932 0.49500 0.50670 0.51805 0.54230 Alpha virt. eigenvalues -- 0.55942 0.56320 0.57899 0.61233 0.62979 Alpha virt. eigenvalues -- 0.64310 0.65418 0.66660 0.66836 0.67318 Alpha virt. eigenvalues -- 0.69516 0.70323 0.72583 0.73206 0.73892 Alpha virt. eigenvalues -- 0.74585 0.75038 0.75765 0.77352 0.78675 Alpha virt. eigenvalues -- 0.78891 0.79770 0.80295 0.81341 0.82532 Alpha virt. eigenvalues -- 0.83263 0.83967 0.84842 0.85929 0.86573 Alpha virt. eigenvalues -- 0.87425 0.89201 0.89514 0.90717 0.91816 Alpha virt. eigenvalues -- 0.92337 0.92566 0.95532 0.96146 0.96959 Alpha virt. eigenvalues -- 0.99554 1.00980 1.02516 1.03478 1.04386 Alpha virt. eigenvalues -- 1.04812 1.05615 1.06762 1.06874 1.08011 Alpha virt. eigenvalues -- 1.08717 1.09604 1.09921 1.10598 1.10942 Alpha virt. eigenvalues -- 1.11443 1.11797 1.13225 1.13497 1.13764 Alpha virt. eigenvalues -- 1.14256 1.14423 1.14703 1.15071 1.15872 Alpha virt. eigenvalues -- 1.16947 1.17558 1.17937 1.18406 1.18867 Alpha virt. eigenvalues -- 1.19346 1.20061 1.20544 1.21007 1.22019 Alpha virt. eigenvalues -- 1.22317 1.22760 1.23941 1.24485 1.25657 Alpha virt. eigenvalues -- 1.26278 1.27787 1.28763 1.29980 1.31759 Alpha virt. eigenvalues -- 1.32513 1.33742 1.34840 1.37188 1.38531 Alpha virt. eigenvalues -- 1.39829 1.41640 1.42962 1.47052 1.47892 Alpha virt. eigenvalues -- 1.49934 1.52550 1.54011 1.55220 1.56086 Alpha virt. eigenvalues -- 1.57682 1.58557 1.59568 1.60247 1.61825 Alpha virt. eigenvalues -- 1.62522 1.63373 1.63719 1.64761 1.65647 Alpha virt. eigenvalues -- 1.67162 1.67790 1.70038 1.72324 1.72721 Alpha virt. eigenvalues -- 1.74614 1.76682 1.77644 1.79545 1.80755 Alpha virt. eigenvalues -- 1.81819 1.84102 1.85862 1.87307 1.88067 Alpha virt. eigenvalues -- 1.88766 1.91855 1.92751 1.93975 1.97580 Alpha virt. eigenvalues -- 2.01553 2.02202 2.04704 2.08375 2.09098 Alpha virt. eigenvalues -- 2.10516 2.13631 2.14278 2.15657 2.17225 Alpha virt. eigenvalues -- 2.18817 2.19275 2.19968 2.21501 2.22130 Alpha virt. eigenvalues -- 2.23564 2.24642 2.27156 2.29335 2.30074 Alpha virt. eigenvalues -- 2.30872 2.32280 2.33137 2.33921 2.34624 Alpha virt. eigenvalues -- 2.35887 2.37160 2.37859 2.39930 2.41544 Alpha virt. eigenvalues -- 2.43471 2.44373 2.47296 2.48565 2.49438 Alpha virt. eigenvalues -- 2.50079 2.51299 2.52212 2.54714 2.55433 Alpha virt. eigenvalues -- 2.55949 2.57385 2.58597 2.60024 2.60618 Alpha virt. eigenvalues -- 2.61258 2.61683 2.62103 2.63068 2.64478 Alpha virt. eigenvalues -- 2.65283 2.66062 2.67711 2.70055 2.70217 Alpha virt. eigenvalues -- 2.71896 2.73001 2.74372 2.75439 2.76231 Alpha virt. eigenvalues -- 2.76987 2.79848 2.85244 2.85699 2.87113 Alpha virt. eigenvalues -- 2.88081 2.90059 2.93284 2.94265 2.94830 Alpha virt. eigenvalues -- 2.97163 2.97684 2.99606 3.01791 3.02722 Alpha virt. eigenvalues -- 3.03843 3.07402 3.07682 3.10652 3.13900 Alpha virt. eigenvalues -- 3.15049 3.16180 3.17463 3.22871 3.23495 Alpha virt. eigenvalues -- 3.25822 3.31249 3.33600 3.35919 3.43511 Alpha virt. eigenvalues -- 3.46871 3.54093 3.61145 3.66351 3.75675 Alpha virt. eigenvalues -- 3.80639 3.98360 4.17077 4.40691 4.44289 Alpha virt. eigenvalues -- 4.47039 4.53906 4.56793 4.59475 4.62010 Alpha virt. eigenvalues -- 4.66016 4.67280 4.69352 4.72226 4.73782 Alpha virt. eigenvalues -- 4.79862 4.83384 4.86872 4.88294 4.92786 Alpha virt. eigenvalues -- 5.00988 5.08997 5.10001 5.23558 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.558890 0.366068 0.214923 0.000001 -0.000001 0.004579 2 C 0.366068 5.203452 -0.060030 -0.000000 0.000000 -0.000023 3 O 0.214923 -0.060030 8.433377 -0.000000 -0.000000 -0.000128 4 N 0.000001 -0.000000 -0.000000 7.034353 0.410795 -0.120763 5 C -0.000001 0.000000 -0.000000 0.410795 4.268468 0.375113 6 C 0.004579 -0.000023 -0.000128 -0.120763 0.375113 4.986121 7 N 0.003424 -0.000448 0.000009 -0.000934 -0.051777 0.320183 8 C -0.023072 -0.010865 0.004118 -0.000271 0.001464 -0.077362 9 N 0.209275 -0.046521 -0.066501 -0.000031 0.004485 -0.062091 10 C -0.028455 0.003396 0.003579 0.003794 -0.033695 0.588371 11 N -0.000328 0.000038 -0.000045 -0.000435 -0.020183 -0.082346 12 C -0.000018 0.000002 0.000001 0.002606 -0.075150 -0.008524 13 N 0.000014 0.000000 -0.000000 -0.067332 0.534950 -0.084189 14 H 0.427729 -0.051201 -0.040792 0.000000 0.000007 0.000347 15 H -0.036396 0.381207 0.000553 0.000000 -0.000000 -0.000001 16 H -0.034311 0.370159 0.003414 0.000000 0.000000 0.000015 17 N 0.004152 -0.011973 -0.000520 -0.000002 -0.000167 0.002327 18 H -0.023753 0.378617 0.000797 -0.000000 0.000000 -0.000007 19 H -0.018787 -0.002001 0.249479 0.000000 -0.000000 0.000007 20 C -0.000179 0.000105 0.000008 -0.000004 -0.000028 0.001788 21 H -0.000003 -0.000000 0.000000 -0.000013 0.002155 -0.000529 22 C 0.000001 -0.000000 -0.000000 0.573990 -0.042304 -0.005414 23 H -0.000001 -0.000000 0.000000 -0.041008 -0.012392 0.003413 24 N -0.000000 -0.000000 0.000000 -0.099954 0.002247 -0.000592 25 C 0.000000 0.000000 0.000000 -0.003052 -0.000274 0.000072 26 C -0.000000 0.000000 -0.000000 0.001931 -0.000108 0.000018 27 H -0.000000 0.000000 0.000000 0.000780 0.000014 -0.000000 28 H -0.000000 0.000000 -0.000000 0.004430 -0.000070 0.000016 29 H 0.000000 -0.000000 0.000000 0.004087 -0.000164 0.000018 30 H 0.000000 -0.000000 -0.000000 -0.000014 0.000002 0.000000 31 H 0.000000 -0.000000 0.000000 0.000016 0.000002 -0.000002 32 H 0.000000 -0.000000 -0.000000 0.000172 0.000015 -0.000011 33 N -0.000006 0.000030 0.000000 0.000000 -0.000001 -0.000026 34 H 0.000018 -0.000031 -0.000001 0.000031 0.000006 -0.000411 35 C -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000002 36 C 0.000004 -0.000079 -0.000000 0.000000 0.000000 -0.000001 37 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 38 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 39 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 40 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 41 H -0.000007 0.000103 -0.000000 -0.000000 -0.000000 -0.000000 42 H 0.000002 -0.000008 0.000000 -0.000000 -0.000000 -0.000000 7 8 9 10 11 12 1 C 0.003424 -0.023072 0.209275 -0.028455 -0.000328 -0.000018 2 C -0.000448 -0.010865 -0.046521 0.003396 0.000038 0.000002 3 O 0.000009 0.004118 -0.066501 0.003579 -0.000045 0.000001 4 N -0.000934 -0.000271 -0.000031 0.003794 -0.000435 0.002606 5 C -0.051777 0.001464 0.004485 -0.033695 -0.020183 -0.075150 6 C 0.320183 -0.077362 -0.062091 0.588371 -0.082346 -0.008524 7 N 7.326404 0.571071 -0.124359 -0.088410 0.010077 0.000572 8 C 0.571071 3.984323 0.352389 -0.086801 0.001087 0.000093 9 N -0.124359 0.352389 7.493139 0.263977 -0.054239 0.001421 10 C -0.088410 -0.086801 0.263977 4.410338 0.416143 -0.082123 11 N 0.010077 0.001087 -0.054239 0.416143 6.940209 0.522168 12 C 0.000572 0.000093 0.001421 -0.082123 0.522168 4.567824 13 N 0.005642 -0.000299 0.000129 -0.041858 -0.078470 0.410087 14 H -0.000156 0.002945 -0.046210 -0.005661 0.003380 -0.000048 15 H 0.000003 0.000164 0.004109 -0.000029 0.000004 0.000000 16 H -0.000064 0.000618 0.000458 -0.000331 -0.000000 -0.000000 17 N -0.104492 0.393361 -0.056219 0.002682 -0.000032 0.000001 18 H 0.000203 0.003139 -0.005704 -0.000232 -0.000003 -0.000000 19 H 0.000002 -0.000093 0.005590 -0.000114 0.000014 0.000000 20 C -0.041600 -0.064163 0.002299 0.000311 0.000001 0.000000 21 H 0.000010 0.000001 -0.000040 0.002788 -0.052208 0.417378 22 C -0.036012 0.000696 -0.000062 0.000370 0.000027 -0.000108 23 H 0.004001 0.000543 0.000157 0.000441 -0.000018 0.000022 24 N 0.000753 -0.000018 0.000000 0.000001 -0.000000 0.000000 25 C -0.000025 0.000000 -0.000000 0.000000 0.000000 0.000000 26 C -0.000009 0.000003 -0.000000 -0.000000 0.000000 -0.000000 27 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 28 H -0.000001 0.000000 0.000000 -0.000000 0.000000 -0.000000 29 H -0.000001 0.000000 -0.000000 0.000000 0.000000 -0.000000 30 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 31 H 0.000001 0.000000 0.000000 -0.000000 0.000000 0.000000 32 H -0.000058 0.000004 -0.000000 -0.000000 0.000000 0.000000 33 N 0.000682 0.001515 -0.000018 0.000005 -0.000000 0.000000 34 H 0.015716 -0.014367 -0.000058 0.000193 0.000000 0.000000 35 C 0.000010 -0.000143 0.000000 0.000000 0.000000 -0.000000 36 C -0.000014 -0.000472 -0.000019 0.000000 0.000000 0.000000 37 H -0.000000 0.000003 -0.000000 -0.000000 0.000000 0.000000 38 H -0.000020 0.000007 -0.000000 0.000000 0.000000 -0.000000 39 H -0.000029 0.000008 -0.000000 0.000000 0.000000 -0.000000 40 H 0.000001 0.000024 -0.000000 0.000000 -0.000000 0.000000 41 H -0.000000 -0.000217 -0.000010 0.000000 -0.000000 -0.000000 42 H -0.000005 -0.000205 -0.000003 0.000000 -0.000000 -0.000000 13 14 15 16 17 18 1 C 0.000014 0.427729 -0.036396 -0.034311 0.004152 -0.023753 2 C 0.000000 -0.051201 0.381207 0.370159 -0.011973 0.378617 3 O -0.000000 -0.040792 0.000553 0.003414 -0.000520 0.000797 4 N -0.067332 0.000000 0.000000 0.000000 -0.000002 -0.000000 5 C 0.534950 0.000007 -0.000000 0.000000 -0.000167 0.000000 6 C -0.084189 0.000347 -0.000001 0.000015 0.002327 -0.000007 7 N 0.005642 -0.000156 0.000003 -0.000064 -0.104492 0.000203 8 C -0.000299 0.002945 0.000164 0.000618 0.393361 0.003139 9 N 0.000129 -0.046210 0.004109 0.000458 -0.056219 -0.005704 10 C -0.041858 -0.005661 -0.000029 -0.000331 0.002682 -0.000232 11 N -0.078470 0.003380 0.000004 -0.000000 -0.000032 -0.000003 12 C 0.410087 -0.000048 0.000000 -0.000000 0.000001 -0.000000 13 N 7.008271 0.000009 0.000000 0.000000 0.000001 -0.000000 14 H 0.000009 0.510544 -0.003072 0.001106 -0.000185 0.003218 15 H 0.000000 -0.003072 0.547461 -0.022711 0.000332 -0.023680 16 H 0.000000 0.001106 -0.022711 0.535465 0.000178 -0.020227 17 N 0.000001 -0.000185 0.000332 0.000178 7.037606 0.002432 18 H -0.000000 0.003218 -0.023680 -0.020227 0.002432 0.457863 19 H 0.000000 -0.001206 0.001650 0.000000 0.000011 -0.000063 20 C 0.000001 0.000006 -0.000001 0.000003 0.598662 -0.000201 21 H -0.041491 -0.000009 0.000000 -0.000000 -0.000000 0.000000 22 C 0.002255 -0.000000 0.000000 -0.000000 0.000042 0.000000 23 H -0.000530 0.000000 0.000000 -0.000000 0.000025 0.000000 24 N 0.000030 0.000000 0.000000 -0.000000 -0.000000 0.000000 25 C -0.000046 -0.000000 -0.000000 -0.000000 0.000000 0.000000 26 C 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 27 H -0.000000 0.000000 -0.000000 0.000000 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-0.000003 0.000001 -0.000001 -0.000000 2 C -0.002001 0.000105 -0.000000 -0.000000 -0.000000 -0.000000 3 O 0.249479 0.000008 0.000000 -0.000000 0.000000 0.000000 4 N 0.000000 -0.000004 -0.000013 0.573990 -0.041008 -0.099954 5 C -0.000000 -0.000028 0.002155 -0.042304 -0.012392 0.002247 6 C 0.000007 0.001788 -0.000529 -0.005414 0.003413 -0.000592 7 N 0.000002 -0.041600 0.000010 -0.036012 0.004001 0.000753 8 C -0.000093 -0.064163 0.000001 0.000696 0.000543 -0.000018 9 N 0.005590 0.002299 -0.000040 -0.000062 0.000157 0.000000 10 C -0.000114 0.000311 0.002788 0.000370 0.000441 0.000001 11 N 0.000014 0.000001 -0.052208 0.000027 -0.000018 -0.000000 12 C 0.000000 0.000000 0.417378 -0.000108 0.000022 0.000000 13 N 0.000000 0.000001 -0.041491 0.002255 -0.000530 0.000030 14 H -0.001206 0.000006 -0.000009 -0.000000 0.000000 0.000000 15 H 0.001650 -0.000001 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000003 -0.000000 -0.000000 -0.000000 -0.000000 17 N 0.000011 0.598662 -0.000000 0.000042 0.000025 -0.000000 18 H -0.000063 -0.000201 0.000000 0.000000 0.000000 0.000000 19 H 0.331337 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 20 C -0.000000 4.438231 0.000000 -0.000113 -0.000322 -0.000010 21 H -0.000000 0.000000 0.450919 0.000000 0.000000 -0.000000 22 C 0.000000 -0.000113 0.000000 4.487194 0.388145 0.309839 23 H -0.000000 -0.000322 0.000000 0.388145 0.449493 -0.066039 24 N -0.000000 -0.000010 -0.000000 0.309839 -0.066039 7.308926 25 C -0.000000 0.000000 -0.000000 -0.036768 0.003014 0.212992 26 C 0.000000 -0.000062 0.000000 -0.042621 -0.000064 0.239123 27 H -0.000000 -0.000000 0.000000 0.003701 -0.000002 -0.037457 28 H 0.000000 -0.000000 -0.000000 -0.003314 0.000062 -0.050218 29 H -0.000000 0.000000 -0.000000 -0.002708 0.000066 -0.050503 30 H 0.000000 0.000001 -0.000000 0.002856 -0.000025 -0.041476 31 H -0.000000 -0.000007 -0.000000 -0.000885 -0.000010 -0.061892 32 H -0.000000 0.000006 0.000000 -0.001530 0.000740 -0.042800 33 N 0.000000 0.314126 -0.000000 -0.000009 0.000044 0.000000 34 H 0.000000 0.396676 -0.000000 0.000711 0.000056 -0.000009 35 C -0.000000 -0.046449 0.000000 -0.000005 0.000011 0.000001 36 C -0.000000 -0.038706 -0.000000 0.000000 -0.000001 -0.000000 37 H 0.000000 0.003810 -0.000000 0.000000 -0.000000 -0.000000 38 H -0.000000 -0.003476 -0.000000 -0.000001 0.000008 -0.000001 39 H 0.000000 -0.003779 0.000000 -0.000003 0.000009 -0.000001 40 H 0.000000 0.004046 -0.000000 -0.000000 0.000000 0.000000 41 H 0.000000 -0.004901 -0.000000 -0.000000 -0.000000 0.000000 42 H -0.000000 -0.002930 0.000000 0.000000 -0.000000 -0.000000 25 26 27 28 29 30 1 C 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 3 O 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 4 N -0.003052 0.001931 0.000780 0.004430 0.004087 -0.000014 5 C -0.000274 -0.000108 0.000014 -0.000070 -0.000164 0.000002 6 C 0.000072 0.000018 -0.000000 0.000016 0.000018 0.000000 7 N -0.000025 -0.000009 0.000000 -0.000001 -0.000001 -0.000000 8 C 0.000000 0.000003 0.000000 0.000000 0.000000 -0.000000 9 N -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 10 C 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 11 N 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 12 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 13 N -0.000046 0.000000 -0.000000 -0.000018 -0.000014 -0.000000 14 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 15 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 16 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 17 N 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 18 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 19 H -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 20 C 0.000000 -0.000062 -0.000000 -0.000000 0.000000 0.000001 21 H -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 22 C -0.036768 -0.042621 0.003701 -0.003314 -0.002708 0.002856 23 H 0.003014 -0.000064 -0.000002 0.000062 0.000066 -0.000025 24 N 0.212992 0.239123 -0.037457 -0.050218 -0.050503 -0.041476 25 C 4.931700 -0.036675 0.392590 0.404136 0.404119 -0.004278 26 C -0.036675 4.913989 -0.006518 0.002397 0.002724 0.402052 27 H 0.392590 -0.006518 0.540214 -0.026163 -0.025944 0.000629 28 H 0.404136 0.002397 -0.026163 0.507606 -0.034024 0.000857 29 H 0.404119 0.002724 -0.025944 -0.034024 0.509770 -0.000274 30 H -0.004278 0.402052 0.000629 0.000857 -0.000274 0.513838 31 H 0.001635 0.400155 0.000243 -0.000353 0.000763 -0.036618 32 H 0.003054 0.398045 0.000245 -0.000004 -0.000194 -0.017934 33 N -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 34 H -0.000000 0.000194 0.000000 0.000000 -0.000000 -0.000001 35 C -0.000000 -0.000048 0.000000 0.000000 0.000000 0.000001 36 C -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 37 H 0.000000 0.000001 0.000000 -0.000000 -0.000000 -0.000000 38 H 0.000000 0.000012 0.000000 -0.000000 -0.000000 -0.000000 39 H 0.000000 0.000033 0.000000 -0.000000 0.000000 -0.000000 40 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 41 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 42 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 31 32 33 34 35 36 1 C 0.000000 0.000000 -0.000006 0.000018 -0.000000 0.000004 2 C -0.000000 -0.000000 0.000030 -0.000031 -0.000000 -0.000079 3 O 0.000000 -0.000000 0.000000 -0.000001 0.000000 -0.000000 4 N 0.000016 0.000172 0.000000 0.000031 -0.000000 0.000000 5 C 0.000002 0.000015 -0.000001 0.000006 0.000000 0.000000 6 C -0.000002 -0.000011 -0.000026 -0.000411 -0.000002 -0.000001 7 N 0.000001 -0.000058 0.000682 0.015716 0.000010 -0.000014 8 C 0.000000 0.000004 0.001515 -0.014367 -0.000143 -0.000472 9 N 0.000000 -0.000000 -0.000018 -0.000058 0.000000 -0.000019 10 C -0.000000 -0.000000 0.000005 0.000193 0.000000 0.000000 11 N 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 13 N -0.000000 -0.000000 0.000000 -0.000001 -0.000000 -0.000000 14 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 15 H 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000001 16 H 0.000000 0.000000 -0.000001 0.000001 0.000000 -0.000002 17 N -0.000000 -0.000001 -0.095265 -0.047206 0.001540 -0.005215 18 H -0.000000 0.000000 -0.000086 0.000031 0.000000 0.000027 19 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 20 C -0.000007 0.000006 0.314126 0.396676 -0.046449 -0.038706 21 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 22 C -0.000885 -0.001530 -0.000009 0.000711 -0.000005 0.000000 23 H -0.000010 0.000740 0.000044 0.000056 0.000011 -0.000001 24 N -0.061892 -0.042800 0.000000 -0.000009 0.000001 -0.000000 25 C 0.001635 0.003054 -0.000000 -0.000000 -0.000000 -0.000000 26 C 0.400155 0.398045 -0.000000 0.000194 -0.000048 -0.000000 27 H 0.000243 0.000245 0.000000 0.000000 0.000000 -0.000000 28 H -0.000353 -0.000004 0.000000 0.000000 0.000000 0.000000 29 H 0.000763 -0.000194 -0.000000 -0.000000 0.000000 0.000000 30 H -0.036618 -0.017934 -0.000000 -0.000001 0.000001 0.000000 31 H 0.569294 -0.036610 -0.000000 0.000032 0.000008 0.000000 32 H -0.036610 0.527787 -0.000025 0.000425 0.000093 0.000000 33 N -0.000000 -0.000025 7.307150 -0.067431 0.222968 0.215525 34 H 0.000032 0.000425 -0.067431 0.446086 0.001517 0.002713 35 C 0.000008 0.000093 0.222968 0.001517 4.946530 -0.038353 36 C 0.000000 0.000000 0.215525 0.002713 -0.038353 4.941030 37 H -0.000000 -0.000000 -0.034849 -0.000048 0.401487 -0.005574 38 H -0.000006 0.000371 -0.054726 0.000485 0.400920 0.002474 39 H 0.000072 -0.000010 -0.049984 0.000346 0.402198 0.002601 40 H 0.000000 0.000000 -0.037101 -0.000002 -0.007455 0.395358 41 H -0.000000 -0.000000 -0.042730 -0.000001 0.002893 0.400857 42 H 0.000000 -0.000000 -0.055397 -0.000011 0.002520 0.405501 37 38 39 40 41 42 1 C 0.000000 0.000000 -0.000000 0.000000 -0.000007 0.000002 2 C -0.000000 -0.000000 0.000000 -0.000000 0.000103 -0.000008 3 O 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 4 N -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 5 C 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 6 C 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 7 N -0.000000 -0.000020 -0.000029 0.000001 -0.000000 -0.000005 8 C 0.000003 0.000007 0.000008 0.000024 -0.000217 -0.000205 9 N -0.000000 -0.000000 -0.000000 -0.000000 -0.000010 -0.000003 10 C -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 N 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 12 C 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 13 N -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 14 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 15 H 0.000000 -0.000000 0.000000 0.000000 0.000002 -0.000000 16 H 0.000000 -0.000000 -0.000000 -0.000000 0.000014 -0.000000 17 N -0.000035 0.000067 0.000136 0.000634 0.003140 0.003106 18 H 0.000000 0.000000 -0.000000 -0.000001 0.000268 0.000084 19 H 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 20 C 0.003810 -0.003476 -0.003779 0.004046 -0.004901 -0.002930 21 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 22 C 0.000000 -0.000001 -0.000003 -0.000000 -0.000000 0.000000 23 H -0.000000 0.000008 0.000009 0.000000 -0.000000 -0.000000 24 N -0.000000 -0.000001 -0.000001 0.000000 0.000000 -0.000000 25 C 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 26 C 0.000001 0.000012 0.000033 -0.000000 0.000000 -0.000000 27 H 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 28 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 29 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 30 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 31 H -0.000000 -0.000006 0.000072 0.000000 -0.000000 0.000000 32 H -0.000000 0.000371 -0.000010 0.000000 -0.000000 -0.000000 33 N -0.034849 -0.054726 -0.049984 -0.037101 -0.042730 -0.055397 34 H -0.000048 0.000485 0.000346 -0.000002 -0.000001 -0.000011 35 C 0.401487 0.400920 0.402198 -0.007455 0.002893 0.002520 36 C -0.005574 0.002474 0.002601 0.395358 0.400857 0.405501 37 H 0.486977 -0.023875 -0.020559 0.001734 0.000210 0.000053 38 H -0.023875 0.540825 -0.039774 0.000054 -0.000243 0.000541 39 H -0.020559 -0.039774 0.526856 0.000296 0.000109 -0.000255 40 H 0.001734 0.000054 0.000296 0.524523 -0.022341 -0.028459 41 H 0.000210 -0.000243 0.000109 -0.022341 0.494572 -0.034230 42 H 0.000053 0.000541 -0.000255 -0.028459 -0.034230 0.523334 Mulliken charges: 1 1 C 0.376238 2 C -0.519998 3 O -0.742241 4 N -0.703171 5 C 0.636590 6 C 0.160032 7 N -0.810346 8 C 0.960773 9 N -0.875343 10 C 0.671321 11 N -0.604840 12 C 0.243796 13 N -0.647142 14 H 0.199252 15 H 0.150403 16 H 0.166216 17 N -0.729122 18 H 0.227279 19 H 0.434174 20 C 0.446852 21 H 0.221041 22 C 0.402030 23 H 0.270160 24 N -0.622941 25 C -0.272196 26 C -0.274570 27 H 0.157667 28 H 0.194660 29 H 0.192281 30 H 0.180387 31 H 0.164163 32 H 0.168223 33 N -0.624389 34 H 0.264340 35 C -0.290241 36 C -0.277654 37 H 0.190665 38 H 0.176360 39 H 0.181730 40 H 0.168688 41 H 0.202513 42 H 0.186364 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.575489 2 C 0.023899 3 O -0.308067 4 N -0.703171 5 C 0.636590 6 C 0.160032 7 N -0.810346 8 C 0.960773 9 N -0.875343 10 C 0.671321 11 N -0.604840 12 C 0.464837 13 N -0.647142 17 N -0.729122 20 C 0.711192 22 C 0.672189 24 N -0.622941 25 C 0.272412 26 C 0.238202 33 N -0.624389 35 C 0.258513 36 C 0.279911 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147131859 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 35.86 SMaxX= 21.17 Shift= 11.440108 9.595235 3.605545 Box 1 Number 0 centers from 1 to 128: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.59D+01 RnKept= 2.14D+01 NSMCal= 8256 NSMKep= 6127 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 61. PRISM was handed 2146608093 working-precision words and 6127 shell-pairs IPart= 0 NShTot= 6127 NBatch= 67 AvBLen= 91.4 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 62. Electronic moments (au): -162.00000000 0.85955303 3.29716515 -0.39558638 -4191.91853871 -3376.08511310 -215.53253521 -12.26729910 -3.12672415 1.04675057 6916.52649132 -4910.20359730 -60.69724032 -2314.97193144 -830.91710922 -355.43344602 -557.17307830 75.93333563 134.34738745 455.29882104 -248653.48338123 -169372.11797216 -1346.37371849 24676.69471666 775.76933723 -22673.82195509 -435.86335552 -418.81159566 262.21822330 -43028.75026209 -8648.33817582 -3610.71182658 641.36556120 -887.57670377 1365.68060002 Electronic spatial extent (au): = 7783.5362 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 162.00000000 -0.00000000 -0.00000000 -0.00000000 4108.54967465 3290.00782653 115.92914966 0.00000000 0.00000000 0.00000000 -6828.54176356 5071.72322532 62.71388327 2377.29915841 880.70640975 366.31472076 556.86180263 -69.35272153 -133.31421746 -454.24994682 236244.91804755 158815.61582611 628.00610335 -25736.58991937 -618.47729812 22704.37581111 402.71464644 459.39235084 -270.60147329 38619.74580297 6024.50229229 1425.28288973 -668.37608603 893.20869019 -1386.34204677 Total moments (au): -0.00000000 0.85955303 3.29716515 -0.39558638 -83.36886405 -86.07728657 -99.60338555 -12.26729910 -3.12672415 1.04675057 87.98472775 161.51962801 2.01664295 62.32722697 49.78930053 10.88127474 -0.31127566 6.58061410 1.03316999 1.04887422 -12408.56533368 -10556.50214605 -718.36761514 -1059.89520271 157.29203911 30.55385602 -33.14870907 40.58075518 -8.38324998 -4409.00445912 -2623.83588352 -2185.42893685 -27.01052483 5.63198642 -20.66144675 Traceless Quadrup. (au): 6.31431467 3.60589216 -9.92020683 -12.26729910 -3.12672415 1.04675057 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 2.1848 Y= 8.3806 Z= -1.0055 Tot= 8.7188 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.1340 YY= -115.7769 ZZ= -133.9700 XY= -16.4999 XZ= -4.2056 YZ= 1.4079 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 8.4930 YY= 4.8500 ZZ= -13.3430 XY= -16.4999 XZ= -4.2056 YZ= 1.4079 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 62.6241 YYY= 114.9634 ZZZ= 1.4354 XYY= 44.3621 XXY= 35.4381 XXZ= 7.7449 XZZ= -0.2216 YZZ= 4.6838 YYZ= 0.7354 XYZ= 0.7465 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4673.6607 YYYY= -3976.0849 ZZZZ= -270.5717 XXXY= -399.2074 XXXZ= 59.2437 YYYX= 11.5080 YYYZ= -12.4854 ZZZX= 15.2847 ZZZY= -3.1575 XXYY= -1660.6425 XXZZ= -988.2624 YYZZ= -823.1373 XXYZ= -10.1735 YYXZ= 2.1213 ZZXY= -7.7821 N-N= 1.853877672258D+03 E-N=-6.080169281682D+03 KE= 1.012833173160D+03 Entering OneElI... OneElI was handed 2147199032 working-precision words. Calculate electrostatic properties NBasis = 370 MinDer = 0 MaxDer = 0 NGrid = 42 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 21.17 Shift= 11.440108 9.595235 3.605545 Box 1 Number 0 centers from 1 to 128: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.81D+01 NSMCal= 8256 NSMKep= 5298 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 185. PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs PRISM was handed 178757121 working-precision words and 5298 shell-pairs IPart= 0 NShTot= 19320 NBatch= 460 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 10 NShTot= 17682 NBatch= 421 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 8 NShTot= 18270 NBatch= 435 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 18732 NBatch= 446 AvBLen= 42.0 IPart= 9 NShTot= 17976 NBatch= 428 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 17598 NBatch= 419 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 4 NShTot= 18816 NBatch= 448 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 7 NShTot= 18522 NBatch= 441 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 18900 NBatch= 450 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 6 NShTot= 18690 NBatch= 445 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 3 NShTot= 18858 NBatch= 449 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 19152 NBatch= 456 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 2221. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.166707 0.331096 -0.164389 2 Atom -0.043082 0.036523 0.006559 3 Atom -1.118414 1.819213 -0.700800 4 Atom 0.380825 -0.141242 -0.239583 5 Atom 0.143801 0.271461 -0.415261 6 Atom 0.186812 -0.037089 -0.149723 7 Atom 0.068396 0.158636 -0.227032 8 Atom 0.221057 0.087996 -0.309053 9 Atom -0.421401 -0.464028 0.885428 10 Atom 0.120333 0.060609 -0.180942 11 Atom 0.752730 -0.141936 -0.610794 12 Atom 0.060604 0.293760 -0.354363 13 Atom 0.552796 0.002816 -0.555612 14 Atom 0.113283 -0.188421 0.075138 15 Atom -0.254616 0.110924 0.143692 16 Atom 0.101513 0.145815 -0.247328 17 Atom 0.741838 -0.611552 -0.130286 18 Atom 0.136458 -0.210953 0.074494 19 Atom -0.287492 0.152755 0.134736 20 Atom 0.388013 0.158334 -0.546347 21 Atom 0.159456 -0.333363 0.173907 22 Atom 0.218031 0.298102 -0.516133 23 Atom -0.208291 0.014729 0.193562 24 Atom -0.502781 -0.555645 1.058426 25 Atom -0.204257 0.057179 0.147078 26 Atom 0.114742 -0.224938 0.110196 27 Atom -0.113717 -0.039418 0.153135 28 Atom 0.129704 -0.042964 -0.086740 29 Atom 0.132122 0.041675 -0.173797 30 Atom -0.161435 0.090249 0.071186 31 Atom 0.143528 0.049695 -0.193223 32 Atom -0.120175 0.100168 0.020008 33 Atom -0.509974 -0.497697 1.007671 34 Atom -0.328600 0.145591 0.183008 35 Atom -0.063602 -0.064694 0.128295 36 Atom -0.226258 0.083818 0.142440 37 Atom 0.061025 -0.209121 0.148096 38 Atom -0.008257 0.132923 -0.124667 39 Atom 0.008923 0.122664 -0.131588 40 Atom 0.121751 -0.264486 0.142735 41 Atom -0.009366 0.035484 -0.026118 42 Atom 0.091843 0.130466 -0.222308 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.113284 -0.145120 0.004806 2 Atom -0.041002 0.015491 0.055416 3 Atom 0.762365 -0.880658 -0.057629 4 Atom 0.717406 0.111543 0.060983 5 Atom 0.062077 -0.008123 0.019711 6 Atom -0.049437 0.000767 0.001538 7 Atom -0.633703 -0.012857 0.018744 8 Atom 0.134269 -0.003838 -0.001093 9 Atom 0.026371 -0.000243 -0.025260 10 Atom -0.182499 -0.002560 0.007174 11 Atom -0.640403 -0.016208 0.011317 12 Atom 0.080506 -0.000466 0.011353 13 Atom 0.750330 0.015407 0.008929 14 Atom 0.046897 0.012620 -0.134431 15 Atom 0.113585 -0.012163 0.012147 16 Atom -0.002829 -0.124776 0.008793 17 Atom 0.188040 0.041892 -0.000437 18 Atom 0.027982 0.018168 -0.150049 19 Atom 0.124741 -0.015200 -0.000471 20 Atom -0.026646 0.056523 -0.001731 21 Atom -0.005886 0.000045 -0.008462 22 Atom 0.127675 0.065078 0.106570 23 Atom -0.251557 -0.058672 -0.037338 24 Atom 0.005211 -0.105589 -0.202307 25 Atom -0.143127 -0.036756 -0.019882 26 Atom -0.002415 -0.001941 -0.052958 27 Atom 0.198881 0.002995 -0.007779 28 Atom -0.038021 0.027117 0.211804 29 Atom -0.008514 0.003150 -0.185520 30 Atom 0.100619 0.152932 -0.056536 31 Atom -0.014646 0.028790 0.164926 32 Atom -0.086836 -0.189617 -0.067058 33 Atom 0.019187 -0.140047 0.000921 34 Atom -0.120974 -0.025797 -0.006994 35 Atom 0.186445 -0.014462 0.017021 36 Atom -0.139033 -0.042508 -0.000018 37 Atom -0.141092 0.004214 0.014082 38 Atom -0.012776 0.201972 0.030996 39 Atom -0.031315 -0.194590 -0.059483 40 Atom -0.038711 0.003065 0.070773 41 Atom 0.117444 0.151354 -0.142542 42 Atom 0.020062 -0.121539 0.084890 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.6441 3.094 1.104 1.032 -0.5757 0.8169 0.0356 4 N(14) Bbb -0.2531 1.216 0.434 0.406 -0.0700 -0.0926 0.9932 Bcc 0.8973 -4.309 -1.538 -1.437 0.8147 0.5693 0.1105 Baa -0.5218 2.506 0.894 0.836 0.7316 0.6816 -0.0114 7 N(14) Bbb -0.2275 1.093 0.390 0.364 0.0241 -0.0090 0.9997 Bcc 0.7493 -3.599 -1.284 -1.200 -0.6813 0.7316 0.0230 Baa -0.4770 2.291 0.817 0.764 -0.4284 0.9034 0.0167 9 N(14) Bbb -0.4089 1.964 0.701 0.655 0.9036 0.4283 0.0085 Bcc 0.8859 -4.255 -1.518 -1.419 -0.0006 -0.0187 0.9998 Baa -0.6111 2.935 1.047 0.979 0.0015 -0.0220 0.9998 11 N(14) Bbb -0.4757 2.285 0.815 0.762 0.4624 0.8865 0.0188 Bcc 1.0868 -5.220 -1.862 -1.741 0.8867 -0.4622 -0.0115 Baa -0.5559 2.670 0.953 0.891 -0.0338 0.0294 0.9990 13 N(14) Bbb -0.5213 2.503 0.893 0.835 -0.5717 0.8193 -0.0435 Bcc 1.0771 -5.173 -1.846 -1.726 0.8197 0.5726 0.0109 Baa -0.6373 3.061 1.092 1.021 -0.1354 0.9907 0.0120 17 N(14) Bbb -0.1321 0.635 0.226 0.212 -0.0440 -0.0182 0.9989 Bcc 0.7694 -3.695 -1.319 -1.233 0.9898 0.1348 0.0460 Baa -0.5815 2.793 0.996 0.931 0.1072 0.9859 0.1285 24 N(14) Bbb -0.5089 2.444 0.872 0.815 0.9920 -0.1147 0.0520 Bcc 1.0904 -5.237 -1.869 -1.747 -0.0660 -0.1219 0.9903 Baa -0.5332 2.561 0.914 0.854 0.8759 -0.4758 0.0799 33 N(14) Bbb -0.4873 2.340 0.835 0.781 0.4738 0.8795 0.0438 Bcc 1.0205 -4.901 -1.749 -1.635 -0.0911 -0.0005 0.9958 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri May 3 23:54:31 2024, MaxMem= 2147483648 cpu: 3.6 elap: 0.4 FitSet: NAtFit= 42 NAtPot= 42 NAtFrz= 0 MDM= 46 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 7 1.50 5 6 1.50 6 6 1.50 7 7 1.50 8 6 1.50 9 7 1.50 10 6 1.50 11 7 1.50 12 6 1.50 13 7 1.50 14 1 1.20 15 1 1.20 16 1 1.20 17 7 1.50 18 1 1.20 19 1 1.20 20 6 1.50 21 1 1.20 22 6 1.50 23 1 1.20 24 7 1.50 25 6 1.50 26 6 1.50 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 7 1.50 34 1 1.20 35 6 1.50 36 6 1.50 37 1 1.20 38 1 1.20 39 1 1.20 40 1 1.20 41 1 1.20 42 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at 3.247742 -1.466232 -0.055508 Atomic Center 2 is at 4.091574 -0.446673 -0.862078 Atomic Center 3 is at 3.711173 -1.466800 1.305187 Atomic Center 4 is at -2.806588 -1.259762 -0.039930 Atomic Center 5 is at -1.579750 -2.008101 -0.056583 Atomic Center 6 is at -0.317583 -1.358453 -0.050888 Atomic Center 7 is at -0.055592 -0.024132 -0.030474 Atomic Center 8 is at 1.208119 0.119107 -0.036775 Atomic Center 9 is at 1.829247 -1.130844 -0.062025 Atomic Center 10 is at 0.791273 -2.023188 -0.074718 Atomic Center 11 is at 0.807593 -3.383543 -0.104364 Atomic Center 12 is at -0.318537 -4.009165 -0.114279 Atomic Center 13 is at -1.579498 -3.284808 -0.095281 Atomic Center 14 is at 3.379310 -2.488045 -0.465624 Atomic Center 15 is at 5.151046 -0.743531 -0.827745 Atomic Center 16 is at 3.750886 -0.429420 -1.907972 Atomic Center 17 is at 1.754508 1.360308 -0.020555 Atomic Center 18 is at 3.979044 0.554346 -0.425145 Atomic Center 19 is at 4.694771 -1.725053 1.345419 Atomic Center 20 is at 0.852776 2.246030 -0.066896 Atomic Center 21 is at -0.319157 -5.077580 -0.130983 Atomic Center 22 is at -2.807064 0.012353 0.090527 Atomic Center 23 is at -1.922786 0.531647 0.204634 Atomic Center 24 is at -3.965980 0.708446 0.087436 Atomic Center 25 is at -5.206809 0.010548 -0.070044 Atomic Center 26 is at -3.951071 2.141880 0.264266 Atomic Center 27 is at -6.053844 0.715122 -0.051580 Atomic Center 28 is at -5.301870 -0.727747 0.738358 Atomic Center 29 is at -5.184568 -0.543628 -1.020498 Atomic Center 30 is at -4.896103 2.466582 0.733307 Atomic Center 31 is at -3.867286 2.624735 -0.723532 Atomic Center 32 is at -3.083601 2.434584 0.872608 Atomic Center 33 is at 1.158213 3.541379 -0.051236 Atomic Center 34 is at -0.146863 1.942764 -0.115179 Atomic Center 35 is at 0.118042 4.531604 -0.129849 Atomic Center 36 is at 2.531573 3.936900 0.091154 Atomic Center 37 is at 0.556530 5.545517 -0.167256 Atomic Center 38 is at -0.534974 4.433764 0.751773 Atomic Center 39 is at -0.498583 4.340641 -1.021502 Atomic Center 40 is at 2.637438 5.016730 -0.090377 Atomic Center 41 is at 3.153880 3.357123 -0.607447 Atomic Center 42 is at 2.862342 3.696870 1.112266 ESP Fit Center 43 is at 2.628572 -3.098851 1.111189 ESP Fit Center 44 is at 2.551774 -1.868049 -1.995655 ESP Fit Center 45 is at 5.179487 -0.025213 0.884008 ESP Fit Center 46 is at 5.340772 0.356138 0.622846 ESP Fit Center 47 is at 5.636111 0.727454 -0.058443 ESP Fit Center 48 is at 5.576498 1.038251 -0.862078 ESP Fit Center 49 is at 5.510604 1.046146 -1.271767 ESP Fit Center 50 is at 5.636111 0.727454 -1.665713 ESP Fit Center 51 is at 5.347598 1.032034 -1.665713 ESP Fit Center 52 is at 5.000355 1.267470 -1.665713 ESP Fit Center 53 is at 4.610618 -2.316102 -1.665713 ESP Fit Center 54 is at 5.637656 0.364774 -2.028775 ESP Fit Center 55 is at 5.398538 0.711196 -2.028775 ESP Fit Center 56 is at 5.083464 0.990328 -2.028775 ESP Fit Center 57 is at 4.710744 1.185946 -2.028775 ESP Fit Center 58 is at 4.302041 1.286682 -2.028775 ESP Fit Center 59 is at 3.881106 1.286682 -2.028775 ESP Fit Center 60 is at 4.302041 -2.180028 -2.028775 ESP Fit Center 61 is at 4.710744 -2.079292 -2.028775 ESP Fit Center 62 is at 5.516348 -0.028321 -2.347002 ESP Fit Center 63 is at 5.340772 0.356138 -2.347002 ESP Fit Center 64 is at 5.063992 0.675558 -2.347002 ESP Fit Center 65 is at 4.708434 0.904062 -2.347002 ESP Fit Center 66 is at 4.708434 -1.797408 -2.347002 ESP Fit Center 67 is at 5.063992 -1.568904 -2.347002 ESP Fit Center 68 is at 3.711173 -1.466800 3.265187 ESP Fit Center 69 is at 4.118680 -1.466800 3.222357 ESP Fit Center 70 is at 3.914926 -1.113889 3.222357 ESP Fit Center 71 is at 3.507419 -1.113889 3.222357 ESP Fit Center 72 is at 3.303666 -1.466800 3.222357 ESP Fit Center 73 is at 3.507419 -1.819712 3.222357 ESP Fit Center 74 is at 3.914926 -1.819712 3.222357 ESP Fit Center 75 is at 4.508376 -1.466800 3.095736 ESP Fit Center 76 is at 4.401571 -1.068198 3.095736 ESP Fit Center 77 is at 4.109775 -0.776402 3.095736 ESP Fit Center 78 is at 3.711173 -0.669596 3.095736 ESP Fit Center 79 is at 3.312571 -0.776402 3.095736 ESP Fit Center 80 is at 3.020774 -1.068198 3.095736 ESP Fit Center 81 is at 2.913969 -1.466800 3.095736 ESP Fit Center 82 is at 3.020774 -1.865402 3.095736 ESP Fit Center 83 is at 3.312571 -2.157199 3.095736 ESP Fit Center 84 is at 3.711173 -2.264004 3.095736 ESP Fit Center 85 is at 4.109775 -2.157199 3.095736 ESP Fit Center 86 is at 4.401571 -1.865402 3.095736 ESP Fit Center 87 is at 4.785436 -1.050629 2.890861 ESP Fit Center 88 is at 4.562555 -0.690663 2.890861 ESP Fit Center 89 is at 4.224690 -0.435519 2.890861 ESP Fit Center 90 is at 3.817471 -0.319656 2.890861 ESP Fit Center 91 is at 3.395897 -0.358720 2.890861 ESP Fit Center 92 is at 3.016902 -0.547437 2.890861 ESP Fit Center 93 is at 2.731672 -0.860319 2.890861 ESP Fit Center 94 is at 2.578730 -1.255110 2.890861 ESP Fit Center 95 is at 2.578730 -1.678491 2.890861 ESP Fit Center 96 is at 2.731672 -2.073281 2.890861 ESP Fit Center 97 is at 3.016902 -2.386163 2.890861 ESP Fit Center 98 is at 3.395897 -2.574880 2.890861 ESP Fit Center 99 is at 3.817471 -2.613945 2.890861 ESP Fit Center 100 is at 4.224690 -2.498081 2.890861 ESP Fit Center 101 is at 4.665019 -0.366003 2.616683 ESP Fit Center 102 is at 4.316251 -0.141863 2.616683 ESP Fit Center 103 is at 3.918463 -0.025062 2.616683 ESP Fit Center 104 is at 3.503882 -0.025062 2.616683 ESP Fit Center 105 is at 3.106094 -0.141863 2.616683 ESP Fit Center 106 is at 2.757326 -0.366003 2.616683 ESP Fit Center 107 is at 2.485833 -0.679322 2.616683 ESP Fit Center 108 is at 2.313610 -1.056439 2.616683 ESP Fit Center 109 is at 2.254609 -1.466800 2.616683 ESP Fit Center 110 is at 2.313610 -1.877162 2.616683 ESP Fit Center 111 is at 2.485833 -2.254278 2.616683 ESP Fit Center 112 is at 2.757326 -2.567598 2.616683 ESP Fit Center 113 is at 3.106094 -2.791737 2.616683 ESP Fit Center 114 is at 3.503882 -2.908538 2.616683 ESP Fit Center 115 is at 3.918463 -2.908538 2.616683 ESP Fit Center 116 is at 4.316251 -2.791737 2.616683 ESP Fit Center 117 is at 4.948531 -0.304843 2.285187 ESP Fit Center 118 is at 4.620690 -0.033630 2.285187 ESP Fit Center 119 is at 4.235701 0.147532 2.285187 ESP Fit Center 120 is at 3.817754 0.227260 2.285187 ESP Fit Center 121 is at 3.393110 0.200544 2.285187 ESP Fit Center 122 is at 2.988451 0.069062 2.285187 ESP Fit Center 123 is at 2.629203 -0.158924 2.285187 ESP Fit Center 124 is at 2.337939 -0.469088 2.285187 ESP Fit Center 125 is at 2.132961 -0.841942 2.285187 ESP Fit Center 126 is at 2.027147 -1.254058 2.285187 ESP Fit Center 127 is at 2.027147 -1.679542 2.285187 ESP Fit Center 128 is at 2.132961 -2.091658 2.285187 ESP Fit Center 129 is at 2.337939 -2.464513 2.285187 ESP Fit Center 130 is at 2.629203 -2.774677 2.285187 ESP Fit Center 131 is at 2.988451 -3.002663 2.285187 ESP Fit Center 132 is at 3.393110 -3.134144 2.285187 ESP Fit Center 133 is at 3.817754 -3.160861 2.285187 ESP Fit Center 134 is at 4.235701 -3.081133 2.285187 ESP Fit Center 135 is at 4.873402 -0.009411 1.910861 ESP Fit Center 136 is at 4.519963 0.212669 1.910861 ESP Fit Center 137 is at 4.125967 0.350534 1.910861 ESP Fit Center 138 is at 3.711173 0.397271 1.910861 ESP Fit Center 139 is at 3.296378 0.350534 1.910861 ESP Fit Center 140 is at 2.902383 0.212669 1.910861 ESP Fit Center 141 is at 2.548943 -0.009411 1.910861 ESP Fit Center 142 is at 2.253783 -0.304571 1.910861 ESP Fit Center 143 is at 1.893838 -1.881595 1.910861 ESP Fit Center 144 is at 2.031703 -2.275590 1.910861 ESP Fit Center 145 is at 2.253783 -2.629029 1.910861 ESP Fit Center 146 is at 2.548943 -2.924189 1.910861 ESP Fit Center 147 is at 2.902383 -3.146270 1.910861 ESP Fit Center 148 is at 3.296378 -3.284135 1.910861 ESP Fit Center 149 is at 3.711173 -3.330871 1.910861 ESP Fit Center 150 is at 4.125967 -3.284135 1.910861 ESP Fit Center 151 is at 4.973099 0.018854 1.510063 ESP Fit Center 152 is at 4.624224 0.255397 1.510063 ESP Fit Center 153 is at 4.232656 0.411412 1.510063 ESP Fit Center 154 is at 3.816704 0.479604 1.510063 ESP Fit Center 155 is at 3.395817 0.456784 1.510063 ESP Fit Center 156 is at 2.989676 0.344020 1.510063 ESP Fit Center 157 is at 2.296017 -2.807307 1.510063 ESP Fit Center 158 is at 2.617271 -3.080184 1.510063 ESP Fit Center 159 is at 2.989676 -3.277620 1.510063 ESP Fit Center 160 is at 3.395817 -3.390385 1.510063 ESP Fit Center 161 is at 3.816704 -3.413204 1.510063 ESP Fit Center 162 is at 4.232656 -3.345013 1.510063 ESP Fit Center 163 is at 4.973099 0.018854 1.100312 ESP Fit Center 164 is at 4.624224 0.255397 1.100312 ESP Fit Center 165 is at 2.989676 -3.277620 1.100312 ESP Fit Center 166 is at 3.395817 -3.390385 1.100312 ESP Fit Center 167 is at 3.816704 -3.413204 1.100312 ESP Fit Center 168 is at 4.232656 -3.345013 1.100312 ESP Fit Center 169 is at -2.806588 -1.259762 2.060070 ESP Fit Center 170 is at -2.396899 -1.259762 2.019719 ESP Fit Center 171 is at -2.601744 -0.904960 2.019719 ESP Fit Center 172 is at -3.011433 -0.904960 2.019719 ESP Fit Center 173 is at -3.216278 -1.259762 2.019719 ESP Fit Center 174 is at -3.011433 -1.614564 2.019719 ESP Fit Center 175 is at -2.601744 -1.614564 2.019719 ESP Fit Center 176 is at -2.002953 -1.259762 1.900217 ESP Fit Center 177 is at -2.110620 -0.857944 1.900217 ESP Fit Center 178 is at -3.502557 -0.857944 1.900217 ESP Fit Center 179 is at -3.610224 -1.259762 1.900217 ESP Fit Center 180 is at -3.502557 -1.661580 1.900217 ESP Fit Center 181 is at -3.208406 -1.955730 1.900217 ESP Fit Center 182 is at -2.806588 -2.063397 1.900217 ESP Fit Center 183 is at -2.404771 -1.955730 1.900217 ESP Fit Center 184 is at -1.718675 -0.838302 1.706156 ESP Fit Center 185 is at -3.953421 -1.045382 1.706156 ESP Fit Center 186 is at -3.953421 -1.474142 1.706156 ESP Fit Center 187 is at -3.798535 -1.873949 1.706156 ESP Fit Center 188 is at -3.509681 -2.190807 1.706156 ESP Fit Center 189 is at -3.125870 -2.381922 1.706156 ESP Fit Center 190 is at -2.698939 -2.421483 1.706156 ESP Fit Center 191 is at -4.055786 -2.062573 1.444994 ESP Fit Center 192 is at -3.779007 -2.381993 1.444994 ESP Fit Center 193 is at -3.423448 -2.610497 1.444994 ESP Fit Center 194 is at -3.017915 -2.729572 1.444994 ESP Fit Center 195 is at -4.352671 -2.071209 1.126767 ESP Fit Center 196 is at -4.113553 -2.417631 1.126767 ESP Fit Center 197 is at -3.798478 -2.696763 1.126767 ESP Fit Center 198 is at -3.425759 -2.892381 1.126767 ESP Fit Center 199 is at -4.469017 -2.260012 0.763705 ESP Fit Center 200 is at -4.215126 -2.594000 0.763705 ESP Fit Center 201 is at -3.895374 -2.865600 0.763705 ESP Fit Center 202 is at -3.524711 -3.062113 0.763705 ESP Fit Center 203 is at -4.607436 -2.259314 0.369759 ESP Fit Center 204 is at -4.369364 -2.601361 0.369759 ESP Fit Center 205 is at -4.067312 -2.888482 0.369759 ESP Fit Center 206 is at -3.713646 -3.108924 0.369759 ESP Fit Center 207 is at -4.552675 -2.426459 -0.039930 ESP Fit Center 208 is at -4.291513 -2.744686 -0.039930 ESP Fit Center 209 is at -3.973286 -3.005848 -0.039930 ESP Fit Center 210 is at -4.607436 -2.259314 -0.449620 ESP Fit Center 211 is at -4.369364 -2.601361 -0.449620 ESP Fit Center 212 is at -4.067312 -2.888482 -0.449620 ESP Fit Center 213 is at -3.713646 -3.108924 -0.449620 ESP Fit Center 214 is at -4.469017 -2.260012 -0.843566 ESP Fit Center 215 is at -4.215126 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Fit Center 623 is at -3.064423 -4.769732 -0.095281 ESP Fit Center 624 is at -2.746196 -5.030894 -0.095281 ESP Fit Center 625 is at -2.383133 -5.224955 -0.095281 ESP Fit Center 626 is at -1.989188 -5.344457 -0.095281 ESP Fit Center 627 is at -3.628580 -3.493179 -0.504970 ESP Fit Center 628 is at -3.544690 -3.901391 -0.504970 ESP Fit Center 629 is at -3.380345 -4.284360 -0.504970 ESP Fit Center 630 is at -3.142274 -4.626407 -0.504970 ESP Fit Center 631 is at -2.840222 -4.913528 -0.504970 ESP Fit Center 632 is at -2.486556 -5.133970 -0.504970 ESP Fit Center 633 is at -2.095755 -5.278707 -0.504970 ESP Fit Center 634 is at -3.508272 -3.075041 -0.898916 ESP Fit Center 635 is at -3.508272 -3.494575 -0.898916 ESP Fit Center 636 is at -3.418085 -3.904300 -0.898916 ESP Fit Center 637 is at -3.241927 -4.285058 -0.898916 ESP Fit Center 638 is at -2.988036 -4.619046 -0.898916 ESP Fit Center 639 is at -2.668284 -4.890646 -0.898916 ESP Fit Center 640 is at -2.297621 -5.087159 -0.898916 ESP Fit Center 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696 is at 5.059310 -2.488045 -0.465624 ESP Fit Center 697 is at 3.064509 -4.138287 -0.465624 ESP Fit Center 698 is at 3.484798 -4.164729 -0.465624 ESP Fit Center 699 is at 3.898458 -4.085819 -0.465624 ESP Fit Center 700 is at 4.279499 -3.906515 -0.465624 ESP Fit Center 701 is at 4.603977 -3.638084 -0.465624 ESP Fit Center 702 is at 4.851505 -3.297391 -0.465624 ESP Fit Center 703 is at 5.006529 -2.905844 -0.465624 ESP Fit Center 704 is at 5.002065 -2.488045 -0.900440 ESP Fit Center 705 is at 2.959310 -4.055506 -0.900440 ESP Fit Center 706 is at 3.379310 -4.110800 -0.900440 ESP Fit Center 707 is at 3.799310 -4.055506 -0.900440 ESP Fit Center 708 is at 4.190687 -3.893392 -0.900440 ESP Fit Center 709 is at 4.526771 -3.635506 -0.900440 ESP Fit Center 710 is at 4.784657 -3.299422 -0.900440 ESP Fit Center 711 is at 4.946771 -2.908045 -0.900440 ESP Fit Center 712 is at 4.834232 -2.488045 -1.305624 ESP Fit Center 713 is at 2.651848 -3.748045 -1.305624 ESP Fit Center 714 is at 3.055559 -3.906489 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is at 3.379310 -3.328045 -1.920546 ESP Fit Center 734 is at 3.799310 -3.215506 -1.920546 ESP Fit Center 735 is at 4.106771 -2.908045 -1.920546 ESP Fit Center 736 is at 3.814126 -2.488045 -2.088379 ESP Fit Center 737 is at 3.596718 -2.111483 -2.088379 ESP Fit Center 738 is at 3.161902 -2.111483 -2.088379 ESP Fit Center 739 is at 2.944494 -2.488045 -2.088379 ESP Fit Center 740 is at 3.161902 -2.864606 -2.088379 ESP Fit Center 741 is at 3.596718 -2.864606 -2.088379 ESP Fit Center 742 is at 3.379310 -2.488045 -2.145624 ESP Fit Center 743 is at 5.991046 -0.743531 0.627178 ESP Fit Center 744 is at 5.878507 -0.323531 0.627178 ESP Fit Center 745 is at 5.571046 -0.016070 0.627178 ESP Fit Center 746 is at 6.338985 -0.743531 0.360195 ESP Fit Center 747 is at 6.258767 -0.314398 0.360195 ESP Fit Center 748 is at 6.028944 0.056779 0.360195 ESP Fit Center 749 is at 5.680556 0.319869 0.360195 ESP Fit Center 750 is at 6.258767 -1.172664 0.360195 ESP Fit Center 751 is at 6.605969 -0.743531 0.012255 ESP Fit Center 752 is at 6.541331 -0.314685 0.012255 ESP Fit Center 753 is at 6.353160 0.076056 0.012255 ESP Fit Center 754 is at 6.058176 0.393973 0.012255 ESP Fit Center 755 is at 5.682589 0.610818 0.012255 ESP Fit Center 756 is at 5.682589 -2.097880 0.012255 ESP Fit Center 757 is at 6.058176 -1.881035 0.012255 ESP Fit Center 758 is at 6.353160 -1.563118 0.012255 ESP Fit Center 759 is at 6.541331 -1.172377 0.012255 ESP Fit Center 760 is at 6.773801 -0.743531 -0.392929 ESP Fit Center 761 is at 6.718507 -0.323531 -0.392929 ESP Fit Center 762 is at 6.556393 0.067847 -0.392929 ESP Fit Center 763 is at 6.298507 0.403930 -0.392929 ESP Fit Center 764 is at 5.962424 0.661816 -0.392929 ESP Fit Center 765 is at 5.151046 -2.366286 -0.392929 ESP Fit Center 766 is at 5.571046 -2.310992 -0.392929 ESP Fit Center 767 is at 5.962424 -2.148878 -0.392929 ESP Fit Center 768 is at 6.298507 -1.890992 -0.392929 ESP Fit Center 769 is at 6.556393 -1.554909 -0.392929 ESP Fit Center 770 is at 6.718507 -1.163531 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Fit Center 808 is at 6.028944 -1.543841 -2.015684 ESP Fit Center 809 is at 6.258767 -1.172664 -2.015684 ESP Fit Center 810 is at 5.991046 -0.743531 -2.282668 ESP Fit Center 811 is at 5.878507 -0.323531 -2.282668 ESP Fit Center 812 is at 5.151046 -1.583531 -2.282668 ESP Fit Center 813 is at 5.571046 -1.470992 -2.282668 ESP Fit Center 814 is at 5.878507 -1.163531 -2.282668 ESP Fit Center 815 is at 5.585862 -0.743531 -2.450500 ESP Fit Center 816 is at 5.368454 -1.120093 -2.450500 ESP Fit Center 817 is at 3.035577 1.090689 -1.907972 ESP Fit Center 818 is at 2.680014 0.865042 -1.907972 ESP Fit Center 819 is at 2.391738 0.558059 -1.907972 ESP Fit Center 820 is at 2.188862 0.189029 -1.907972 ESP Fit Center 821 is at 4.562264 0.975927 -2.342788 ESP Fit Center 822 is at 4.170886 1.138041 -2.342788 ESP Fit Center 823 is at 3.750886 1.193335 -2.342788 ESP Fit Center 824 is at 3.330886 1.138041 -2.342788 ESP Fit Center 825 is at 2.939509 0.975927 -2.342788 ESP Fit Center 826 is at 2.603425 0.718041 -2.342788 ESP Fit Center 827 is at 2.345539 0.381958 -2.342788 ESP Fit Center 828 is at 2.183425 -0.009420 -2.342788 ESP Fit Center 829 is at 2.128131 -0.429420 -2.342788 ESP Fit Center 830 is at 2.183425 -0.849420 -2.342788 ESP Fit Center 831 is at 2.345539 -1.240798 -2.342788 ESP Fit Center 832 is at 2.603425 -1.576881 -2.342788 ESP Fit Center 833 is at 2.939509 -1.834768 -2.342788 ESP Fit Center 834 is at 3.330886 -1.996881 -2.342788 ESP Fit Center 835 is at 3.750886 -2.052176 -2.342788 ESP Fit Center 836 is at 4.170886 -1.996881 -2.342788 ESP Fit Center 837 is at 5.205809 -0.429420 -2.747972 ESP Fit Center 838 is at 5.141171 -0.000574 -2.747972 ESP Fit Center 839 is at 4.953000 0.390167 -2.747972 ESP Fit Center 840 is at 4.658016 0.708084 -2.747972 ESP Fit Center 841 is at 4.282429 0.924929 -2.747972 ESP Fit Center 842 is at 3.859613 1.021434 -2.747972 ESP Fit Center 843 is at 3.427136 0.989025 -2.747972 ESP Fit Center 844 is at 3.023425 0.830580 -2.747972 ESP Fit Center 845 is at 2.684353 0.560179 -2.747972 ESP Fit Center 846 is at 2.440046 0.201847 -2.747972 ESP Fit Center 847 is at 2.312214 -0.212575 -2.747972 ESP Fit Center 848 is at 2.312214 -0.646265 -2.747972 ESP Fit Center 849 is at 2.440046 -1.060687 -2.747972 ESP Fit Center 850 is at 2.684353 -1.419019 -2.747972 ESP Fit Center 851 is at 3.023425 -1.689420 -2.747972 ESP Fit Center 852 is at 3.427136 -1.847865 -2.747972 ESP Fit Center 853 is at 3.859613 -1.880275 -2.747972 ESP Fit Center 854 is at 4.282429 -1.783769 -2.747972 ESP Fit Center 855 is at 4.658016 -1.566924 -2.747972 ESP Fit Center 856 is at 4.953000 -1.249007 -2.747972 ESP Fit Center 857 is at 5.141171 -0.858266 -2.747972 ESP Fit Center 858 is at 4.938826 -0.429420 -3.095912 ESP Fit Center 859 is at 4.858607 -0.000287 -3.095912 ESP Fit Center 860 is at 4.628784 0.370889 -3.095912 ESP Fit Center 861 is at 4.280397 0.633980 -3.095912 ESP Fit Center 862 is at 3.860496 0.753452 -3.095912 ESP Fit Center 863 is at 3.425791 0.713170 -3.095912 ESP Fit Center 864 is at 3.034993 0.518576 -3.095912 ESP Fit Center 865 is at 2.740880 0.195949 -3.095912 ESP Fit Center 866 is at 2.583174 -0.211137 -3.095912 ESP Fit Center 867 is at 2.583174 -0.647703 -3.095912 ESP Fit Center 868 is at 2.740880 -1.054790 -3.095912 ESP Fit Center 869 is at 3.034993 -1.377416 -3.095912 ESP Fit Center 870 is at 3.425791 -1.572011 -3.095912 ESP Fit Center 871 is at 3.860496 -1.612292 -3.095912 ESP Fit Center 872 is at 4.280397 -1.492820 -3.095912 ESP Fit Center 873 is at 4.628784 -1.229730 -3.095912 ESP Fit Center 874 is at 4.858607 -0.858553 -3.095912 ESP Fit Center 875 is at 4.590886 -0.429420 -3.362895 ESP Fit Center 876 is at 4.478348 -0.009420 -3.362895 ESP Fit Center 877 is at 4.170886 0.298041 -3.362895 ESP Fit Center 878 is at 3.750886 0.410580 -3.362895 ESP Fit Center 879 is at 3.330886 0.298041 -3.362895 ESP Fit Center 880 is at 3.023425 -0.009420 -3.362895 ESP Fit Center 881 is at 2.910886 -0.429420 -3.362895 ESP Fit Center 882 is at 3.023425 -0.849420 -3.362895 ESP Fit Center 883 is at 3.330886 -1.156881 -3.362895 ESP Fit Center 884 is at 3.750886 -1.269420 -3.362895 ESP Fit Center 885 is at 4.170886 -1.156881 -3.362895 ESP Fit Center 886 is at 4.478348 -0.849420 -3.362895 ESP Fit Center 887 is at 4.185702 -0.429420 -3.530728 ESP Fit Center 888 is at 3.968294 -0.052858 -3.530728 ESP Fit Center 889 is at 3.533478 -0.052858 -3.530728 ESP Fit Center 890 is at 3.316070 -0.429420 -3.530728 ESP Fit Center 891 is at 3.533478 -0.805982 -3.530728 ESP Fit Center 892 is at 3.968294 -0.805982 -3.530728 ESP Fit Center 893 is at 3.750886 -0.429420 -3.587972 ESP Fit Center 894 is at 1.754508 1.360308 2.079445 ESP Fit Center 895 is at 2.164197 1.360308 2.039094 ESP Fit Center 896 is at 1.959352 1.715110 2.039094 ESP Fit Center 897 is at 1.549663 1.715110 2.039094 ESP Fit Center 898 is at 1.344818 1.360308 2.039094 ESP Fit Center 899 is at 1.549663 1.005507 2.039094 ESP Fit Center 900 is at 1.959352 1.005507 2.039094 ESP Fit Center 901 is at 2.558143 1.360308 1.919592 ESP Fit Center 902 is at 2.450476 1.762126 1.919592 ESP Fit Center 903 is at 2.156325 2.056277 1.919592 ESP Fit Center 904 is at 1.754508 2.163944 1.919592 ESP Fit Center 905 is at 0.950872 1.360308 1.919592 ESP Fit Center 906 is at 1.058539 0.958491 1.919592 ESP Fit Center 907 is at 2.156325 0.664340 1.919592 ESP Fit Center 908 is at 2.450476 0.958491 1.919592 ESP Fit Center 909 is at 2.921205 1.360308 1.725531 ESP Fit Center 910 is at 2.842421 1.781768 1.725531 ESP Fit Center 911 is at 2.616707 2.146307 1.725531 ESP Fit Center 912 is at 0.607675 1.145928 1.725531 ESP Fit Center 913 is at 2.616707 0.574309 1.725531 ESP Fit Center 914 is at 2.842421 0.938849 1.725531 ESP Fit Center 915 is at 3.239432 1.360308 1.464369 ESP Fit Center 916 is at 3.179282 1.778660 1.464369 ESP Fit Center 917 is at 2.726926 0.238078 1.464369 ESP Fit Center 918 is at 3.003705 0.557498 1.464369 ESP Fit Center 919 is at 3.179282 0.941957 1.464369 ESP Fit Center 920 is at 3.500594 1.360308 1.146143 ESP Fit Center 921 is at 3.449856 1.778174 1.146143 ESP Fit Center 922 is at 3.300590 0.548862 1.146143 ESP Fit Center 923 is at 3.449856 0.942443 1.146143 ESP Fit Center 924 is at 3.649295 1.777383 0.783080 ESP Fit Center 925 is at 3.515337 2.174955 0.783080 ESP Fit Center 926 is at 3.179282 1.778660 -1.505479 ESP Fit Center 927 is at 2.921205 1.360308 -1.766641 ESP Fit Center 928 is at 2.842421 1.781768 -1.766641 ESP Fit Center 929 is at 2.616707 2.146307 -1.766641 ESP Fit Center 930 is at 2.274549 2.404693 -1.766641 ESP Fit Center 931 is at 2.558143 1.360308 -1.960702 ESP Fit Center 932 is at 2.450476 1.762126 -1.960702 ESP Fit Center 933 is at 2.156325 2.056277 -1.960702 ESP Fit Center 934 is at 1.058539 0.958491 -1.960702 ESP Fit Center 935 is at 2.156325 0.664340 -1.960702 ESP Fit Center 936 is at 2.450476 0.958491 -1.960702 ESP Fit Center 937 is at 2.164197 1.360308 -2.080204 ESP Fit Center 938 is at 1.959352 1.715110 -2.080204 ESP Fit Center 939 is at 1.549663 1.715110 -2.080204 ESP Fit Center 940 is at 1.344818 1.360308 -2.080204 ESP Fit Center 941 is at 1.549663 1.005507 -2.080204 ESP Fit Center 942 is at 1.959352 1.005507 -2.080204 ESP Fit Center 943 is at 1.754508 1.360308 -2.120555 ESP Fit Center 944 is at 3.979044 0.554346 1.254855 ESP Fit Center 945 is at 4.413860 0.554346 1.197611 ESP Fit Center 946 is at 4.196452 0.930907 1.197611 ESP Fit Center 947 is at 3.761636 0.930907 1.197611 ESP Fit Center 948 is at 3.544228 0.554346 1.197611 ESP Fit Center 949 is at 4.819044 0.554346 1.029778 ESP Fit Center 950 is at 4.706505 0.974346 1.029778 ESP Fit Center 951 is at 4.399044 1.281807 1.029778 ESP Fit Center 952 is at 3.979044 1.394346 1.029778 ESP Fit Center 953 is at 5.166983 0.554346 0.762795 ESP Fit Center 954 is at 5.086764 0.983479 0.762795 ESP Fit Center 955 is at 4.856941 1.354655 0.762795 ESP Fit Center 956 is at 4.508554 1.617746 0.762795 ESP Fit Center 957 is at 4.088653 1.737218 0.762795 ESP Fit Center 958 is at 5.433966 0.554346 0.414855 ESP Fit Center 959 is at 5.369328 0.983192 0.414855 ESP Fit Center 960 is at 5.181157 1.373933 0.414855 ESP Fit Center 961 is at 4.886173 1.691850 0.414855 ESP Fit Center 962 is at 4.510586 1.908695 0.414855 ESP Fit Center 963 is at 4.087770 2.005200 0.414855 ESP Fit Center 964 is at 5.546505 0.974346 0.009671 ESP Fit Center 965 is at 5.384391 1.365723 0.009671 ESP Fit Center 966 is at 5.126505 1.701807 0.009671 ESP Fit Center 967 is at 4.790421 1.959693 0.009671 ESP Fit Center 968 is at 4.399044 2.121807 0.009671 ESP Fit Center 969 is at 5.606263 0.972145 -0.425145 ESP Fit Center 970 is at 5.451239 1.363692 -0.425145 ESP Fit Center 971 is at 5.203711 1.704385 -0.425145 ESP Fit Center 972 is at 4.879233 1.972817 -0.425145 ESP Fit Center 973 is at 4.498192 2.152121 -0.425145 ESP Fit Center 974 is at 5.384391 1.365723 -0.859961 ESP Fit Center 975 is at 5.126505 1.701807 -0.859961 ESP Fit Center 976 is at 4.790421 1.959693 -0.859961 ESP Fit Center 977 is at 4.399044 2.121807 -0.859961 ESP Fit Center 978 is at 5.181157 1.373933 -1.265145 ESP Fit Center 979 is at 4.886173 1.691850 -1.265145 ESP Fit Center 980 is at 4.510586 1.908695 -1.265145 ESP Fit Center 981 is at 4.087770 2.005200 -1.265145 ESP Fit Center 982 is at 4.508554 1.617746 -1.613084 ESP Fit Center 983 is at 4.088653 1.737218 -1.613084 ESP Fit Center 984 is at 3.653949 1.696936 -1.613084 ESP Fit Center 985 is at 3.263150 1.502342 -1.613084 ESP Fit Center 986 is at 3.979044 1.394346 -1.880067 ESP Fit Center 987 is at 4.694771 -1.725053 3.025419 ESP Fit Center 988 is at 5.129587 -1.725053 2.968174 ESP Fit Center 989 is at 4.912179 -1.348491 2.968174 ESP Fit Center 990 is at 4.912179 -2.101615 2.968174 ESP Fit Center 991 is at 5.534771 -1.725053 2.800342 ESP Fit Center 992 is at 5.422232 -1.305053 2.800342 ESP Fit Center 993 is at 5.114771 -0.997592 2.800342 ESP Fit Center 994 is at 4.694771 -2.565053 2.800342 ESP Fit Center 995 is at 5.114771 -2.452514 2.800342 ESP Fit Center 996 is at 5.422232 -2.145053 2.800342 ESP Fit Center 997 is at 5.882710 -1.725053 2.533358 ESP Fit Center 998 is at 5.802492 -1.295920 2.533358 ESP Fit Center 999 is at 5.572669 -0.924743 2.533358 ESP Fit Center 1000 is at 5.224281 -0.661653 2.533358 ESP Fit Center 1001 is at 4.369676 -2.867644 2.533358 ESP Fit Center 1002 is at 4.804380 -2.907925 2.533358 ESP Fit Center 1003 is at 5.224281 -2.788453 2.533358 ESP Fit Center 1004 is at 5.572669 -2.525363 2.533358 ESP Fit Center 1005 is at 5.802492 -2.154186 2.533358 ESP Fit Center 1006 is at 6.149694 -1.725053 2.185419 ESP Fit Center 1007 is at 6.085056 -1.296207 2.185419 ESP Fit Center 1008 is at 5.896885 -0.905466 2.185419 ESP Fit Center 1009 is at 5.601901 -0.587549 2.185419 ESP Fit Center 1010 is at 5.226314 -0.370704 2.185419 ESP Fit Center 1011 is at 4.371020 -3.143498 2.185419 ESP Fit Center 1012 is at 4.803498 -3.175907 2.185419 ESP Fit Center 1013 is at 5.226314 -3.079402 2.185419 ESP Fit Center 1014 is at 5.601901 -2.862557 2.185419 ESP Fit Center 1015 is at 5.896885 -2.544640 2.185419 ESP Fit Center 1016 is at 6.085056 -2.153899 2.185419 ESP Fit Center 1017 is at 6.317526 -1.725053 1.780235 ESP Fit Center 1018 is at 6.262232 -1.305053 1.780235 ESP Fit Center 1019 is at 6.100118 -0.913675 1.780235 ESP Fit Center 1020 is at 5.842232 -0.577592 1.780235 ESP Fit Center 1021 is at 5.506149 -0.319706 1.780235 ESP Fit Center 1022 is at 5.114771 -0.157592 1.780235 ESP Fit Center 1023 is at 4.274771 -3.292514 1.780235 ESP Fit Center 1024 is at 4.694771 -3.347808 1.780235 ESP Fit Center 1025 is at 5.114771 -3.292514 1.780235 ESP Fit Center 1026 is at 5.506149 -3.130400 1.780235 ESP Fit Center 1027 is at 5.842232 -2.872514 1.780235 ESP Fit Center 1028 is at 6.100118 -2.536431 1.780235 ESP Fit Center 1029 is at 6.262232 -2.145053 1.780235 ESP Fit Center 1030 is at 6.374771 -1.725053 1.345419 ESP Fit Center 1031 is at 6.321991 -1.307254 1.345419 ESP Fit Center 1032 is at 6.166966 -0.915707 1.345419 ESP Fit Center 1033 is at 5.919438 -0.575014 1.345419 ESP Fit Center 1034 is at 5.594960 -0.306582 1.345419 ESP Fit Center 1035 is at 5.213920 -0.127278 1.345419 ESP Fit Center 1036 is at 4.379970 -3.375296 1.345419 ESP Fit Center 1037 is at 4.800259 -3.401738 1.345419 ESP Fit Center 1038 is at 5.213920 -3.322828 1.345419 ESP Fit Center 1039 is at 5.594960 -3.143524 1.345419 ESP Fit Center 1040 is at 5.919438 -2.875092 1.345419 ESP Fit Center 1041 is at 6.166966 -2.534399 1.345419 ESP Fit Center 1042 is at 6.321991 -2.142852 1.345419 ESP Fit Center 1043 is at 6.317526 -1.725053 0.910603 ESP Fit Center 1044 is at 6.262232 -1.305053 0.910603 ESP Fit Center 1045 is at 6.100118 -0.913675 0.910603 ESP Fit Center 1046 is at 5.842232 -0.577592 0.910603 ESP Fit Center 1047 is at 5.506149 -0.319706 0.910603 ESP Fit Center 1048 is at 4.694771 -3.347808 0.910603 ESP Fit Center 1049 is at 5.114771 -3.292514 0.910603 ESP Fit Center 1050 is at 5.506149 -3.130400 0.910603 ESP Fit Center 1051 is at 5.842232 -2.872514 0.910603 ESP Fit Center 1052 is at 6.100118 -2.536431 0.910603 ESP Fit Center 1053 is at 6.262232 -2.145053 0.910603 ESP Fit Center 1054 is at 6.149694 -1.725053 0.505419 ESP Fit Center 1055 is at 6.085056 -1.296207 0.505419 ESP Fit Center 1056 is at 4.803498 -3.175907 0.505419 ESP Fit Center 1057 is at 5.226314 -3.079402 0.505419 ESP Fit Center 1058 is at 5.601901 -2.862557 0.505419 ESP Fit Center 1059 is at 5.896885 -2.544640 0.505419 ESP Fit Center 1060 is at 6.085056 -2.153899 0.505419 ESP Fit Center 1061 is at 5.224281 -2.788453 0.157479 ESP Fit Center 1062 is at 5.572669 -2.525363 0.157479 ESP Fit Center 1063 is at 5.802492 -2.154186 0.157479 ESP Fit Center 1064 is at 5.114771 -2.452514 -0.109504 ESP Fit Center 1065 is at 0.852776 2.246030 2.033104 ESP Fit Center 1066 is at 1.262466 2.246030 1.992753 ESP Fit Center 1067 is at 1.057621 2.600832 1.992753 ESP Fit Center 1068 is at 0.647932 2.600832 1.992753 ESP Fit Center 1069 is at 0.443087 2.246030 1.992753 ESP Fit Center 1070 is at 0.647932 1.891229 1.992753 ESP Fit Center 1071 is at 1.057621 1.891229 1.992753 ESP Fit Center 1072 is at 1.548745 2.647848 1.873251 ESP Fit Center 1073 is at 0.450959 2.941999 1.873251 ESP Fit Center 1074 is at 0.156808 2.647848 1.873251 ESP Fit Center 1075 is at 0.049141 2.246030 1.873251 ESP Fit Center 1076 is at 0.156808 1.844213 1.873251 ESP Fit Center 1077 is at 0.450959 1.550062 1.873251 ESP Fit Center 1078 is at -0.139170 2.860217 1.679190 ESP Fit Center 1079 is at -0.294056 2.460410 1.679190 ESP Fit Center 1080 is at -0.294056 2.031650 1.679190 ESP Fit Center 1081 is at -0.139170 1.631843 1.679190 ESP Fit Center 1082 is at 0.149684 1.314986 1.679190 ESP Fit Center 1083 is at -0.571998 2.664382 1.418028 ESP Fit Center 1084 is at 1.940689 2.667490 -1.812983 ESP Fit Center 1085 is at -0.139170 2.860217 -1.812983 ESP Fit Center 1086 is at -0.294056 2.460410 -1.812983 ESP Fit Center 1087 is at -0.294056 2.031650 -1.812983 ESP Fit Center 1088 is at -0.139170 1.631843 -1.812983 ESP Fit Center 1089 is at 0.149684 1.314986 -1.812983 ESP Fit Center 1090 is at 0.533494 1.123871 -1.812983 ESP Fit Center 1091 is at 1.656412 2.246030 -2.007043 ESP Fit Center 1092 is at 1.548745 2.647848 -2.007043 ESP Fit Center 1093 is at 0.450959 2.941999 -2.007043 ESP Fit Center 1094 is at 0.156808 2.647848 -2.007043 ESP Fit Center 1095 is at 0.049141 2.246030 -2.007043 ESP Fit Center 1096 is at 0.156808 1.844213 -2.007043 ESP Fit Center 1097 is at 0.450959 1.550062 -2.007043 ESP Fit Center 1098 is at 0.852776 1.442395 -2.007043 ESP Fit Center 1099 is at 1.262466 2.246030 -2.126545 ESP Fit Center 1100 is at 1.057621 2.600832 -2.126545 ESP Fit Center 1101 is at 0.647932 2.600832 -2.126545 ESP Fit Center 1102 is at 0.443087 2.246030 -2.126545 ESP Fit Center 1103 is at 0.647932 1.891229 -2.126545 ESP Fit Center 1104 is at 1.057621 1.891229 -2.126545 ESP Fit Center 1105 is at 0.852776 2.246030 -2.166896 ESP Fit Center 1106 is at -0.536565 -5.454141 1.491772 ESP Fit Center 1107 is at -0.101749 -5.454141 1.491772 ESP Fit Center 1108 is at -1.046618 -5.497580 1.323940 ESP Fit Center 1109 is at -0.739157 -5.805041 1.323940 ESP Fit Center 1110 is at -0.319157 -5.917580 1.323940 ESP Fit Center 1111 is at 0.100843 -5.805041 1.323940 ESP Fit Center 1112 is at 0.408305 -5.497580 1.323940 ESP Fit Center 1113 is at -1.329163 -5.702949 1.056956 ESP Fit Center 1114 is at -1.035050 -6.025576 1.056956 ESP Fit Center 1115 is at -0.644252 -6.220170 1.056956 ESP Fit Center 1116 is at -0.209547 -6.260451 1.056956 ESP Fit Center 1117 is at 0.210353 -6.140979 1.056956 ESP Fit Center 1118 is at 0.558741 -5.877889 1.056956 ESP Fit Center 1119 is at 0.788564 -5.506713 1.056956 ESP Fit Center 1120 is at -1.629997 -5.708847 0.709017 ESP Fit Center 1121 is at -1.385690 -6.067178 0.709017 ESP Fit Center 1122 is at -1.046618 -6.337580 0.709017 ESP Fit Center 1123 is at -0.642907 -6.496024 0.709017 ESP Fit Center 1124 is at -0.210430 -6.528434 0.709017 ESP Fit Center 1125 is at 0.212386 -6.431929 0.709017 ESP Fit Center 1126 is at 0.587973 -6.215084 0.709017 ESP Fit Center 1127 is at 0.882957 -5.897167 0.709017 ESP Fit Center 1128 is at 1.071128 -5.506426 0.709017 ESP Fit Center 1129 is at -1.886618 -5.497580 0.303833 ESP Fit Center 1130 is at -1.724504 -5.888957 0.303833 ESP Fit Center 1131 is at -1.466618 -6.225041 0.303833 ESP Fit Center 1132 is at -1.130534 -6.482927 0.303833 ESP Fit Center 1133 is at -0.739157 -6.645041 0.303833 ESP Fit Center 1134 is at -0.319157 -6.700335 0.303833 ESP Fit Center 1135 is at 0.100843 -6.645041 0.303833 ESP Fit Center 1136 is at 0.492221 -6.482927 0.303833 ESP Fit Center 1137 is at 0.828305 -6.225041 0.303833 ESP Fit Center 1138 is at 1.086191 -5.888957 0.303833 ESP Fit Center 1139 is at 1.248305 -5.497580 0.303833 ESP Fit Center 1140 is at -1.881181 -5.696029 -0.130983 ESP Fit Center 1141 is at -1.678305 -6.065059 -0.130983 ESP Fit Center 1142 is at -1.390029 -6.372042 -0.130983 ESP Fit Center 1143 is at -1.034466 -6.597689 -0.130983 ESP Fit Center 1144 is at -0.633957 -6.727822 -0.130983 ESP Fit Center 1145 is at -0.213669 -6.754265 -0.130983 ESP Fit Center 1146 is at 0.199992 -6.675355 -0.130983 ESP Fit Center 1147 is at 0.581032 -6.496051 -0.130983 ESP Fit Center 1148 is at 0.905511 -6.227619 -0.130983 ESP Fit Center 1149 is at 1.153039 -5.886926 -0.130983 ESP Fit Center 1150 is at 1.308063 -5.495379 -0.130983 ESP Fit Center 1151 is at -1.886618 -5.497580 -0.565799 ESP Fit Center 1152 is at -1.724504 -5.888957 -0.565799 ESP Fit Center 1153 is at -1.466618 -6.225041 -0.565799 ESP Fit Center 1154 is at -1.130534 -6.482927 -0.565799 ESP Fit Center 1155 is at -0.739157 -6.645041 -0.565799 ESP Fit Center 1156 is at -0.319157 -6.700335 -0.565799 ESP Fit Center 1157 is at 0.100843 -6.645041 -0.565799 ESP Fit Center 1158 is at 0.492221 -6.482927 -0.565799 ESP Fit Center 1159 is at 0.828305 -6.225041 -0.565799 ESP Fit Center 1160 is at 1.086191 -5.888957 -0.565799 ESP Fit Center 1161 is at 1.248305 -5.497580 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ESP Fit Center 1435 is at -6.740543 -0.944592 1.578358 ESP Fit Center 1436 is at -6.612710 -1.359014 1.578358 ESP Fit Center 1437 is at -6.368404 -1.717345 1.578358 ESP Fit Center 1438 is at -6.029332 -1.987747 1.578358 ESP Fit Center 1439 is at -5.625621 -2.146191 1.578358 ESP Fit Center 1440 is at -5.193144 -2.178601 1.578358 ESP Fit Center 1441 is at -4.770327 -2.082096 1.578358 ESP Fit Center 1442 is at -4.394741 -1.865251 1.578358 ESP Fit Center 1443 is at -6.869332 -0.307747 1.173174 ESP Fit Center 1444 is at -6.924626 -0.727747 1.173174 ESP Fit Center 1445 is at -6.869332 -1.147747 1.173174 ESP Fit Center 1446 is at -6.707218 -1.539124 1.173174 ESP Fit Center 1447 is at -6.449332 -1.875208 1.173174 ESP Fit Center 1448 is at -6.113248 -2.133094 1.173174 ESP Fit Center 1449 is at -5.721870 -2.295208 1.173174 ESP Fit Center 1450 is at -5.301870 -2.350502 1.173174 ESP Fit Center 1451 is at -4.881870 -2.295208 1.173174 ESP Fit Center 1452 is at -4.490492 -2.133094 1.173174 ESP Fit Center 1453 is at -6.968623 -0.938306 0.738358 ESP Fit Center 1454 is at -6.863895 -1.346196 0.738358 ESP Fit Center 1455 is at -6.661019 -1.715226 0.738358 ESP Fit Center 1456 is at -6.372742 -2.022209 0.738358 ESP Fit Center 1457 is at -6.017179 -2.247856 0.738358 ESP Fit Center 1458 is at -5.616671 -2.377989 0.738358 ESP Fit Center 1459 is at -5.196382 -2.404431 0.738358 ESP Fit Center 1460 is at -4.782722 -2.325522 0.738358 ESP Fit Center 1461 is at -6.707218 -1.539124 0.303542 ESP Fit Center 1462 is at -6.449332 -1.875208 0.303542 ESP Fit Center 1463 is at -6.113248 -2.133094 0.303542 ESP Fit Center 1464 is at -5.721870 -2.295208 0.303542 ESP Fit Center 1465 is at -5.301870 -2.350502 0.303542 ESP Fit Center 1466 is at -4.881870 -2.295208 0.303542 ESP Fit Center 1467 is at -6.029332 -1.987747 -0.101642 ESP Fit Center 1468 is at -5.625621 -2.146191 -0.101642 ESP Fit Center 1469 is at -5.193144 -2.178601 -0.101642 ESP Fit Center 1470 is at -4.770327 -2.082096 -0.101642 ESP Fit Center 1471 is at -6.332029 -1.691089 -0.585682 ESP Fit Center 1472 is at -5.995945 -1.948975 -0.585682 ESP Fit Center 1473 is at -5.604568 -2.111089 -0.585682 ESP Fit Center 1474 is at -5.184568 -2.166383 -0.585682 ESP Fit Center 1475 is at -4.764568 -2.111089 -0.585682 ESP Fit Center 1476 is at -6.746592 -1.162077 -1.020498 ESP Fit Center 1477 is at -6.543716 -1.531107 -1.020498 ESP Fit Center 1478 is at -6.255440 -1.838090 -1.020498 ESP Fit Center 1479 is at -5.899877 -2.063737 -1.020498 ESP Fit Center 1480 is at -5.499368 -2.193870 -1.020498 ESP Fit Center 1481 is at -5.079080 -2.220313 -1.020498 ESP Fit Center 1482 is at -4.665419 -2.141403 -1.020498 ESP Fit Center 1483 is at -6.807323 -0.543628 -1.455314 ESP Fit Center 1484 is at -6.752029 -0.963628 -1.455314 ESP Fit Center 1485 is at -6.589915 -1.355005 -1.455314 ESP Fit Center 1486 is at -6.332029 -1.691089 -1.455314 ESP Fit Center 1487 is at -5.995945 -1.948975 -1.455314 ESP Fit Center 1488 is at -5.604568 -2.111089 -1.455314 ESP Fit Center 1489 is at -5.184568 -2.166383 -1.455314 ESP Fit Center 1490 is at -4.764568 -2.111089 -1.455314 ESP Fit Center 1491 is at -4.373190 -1.948975 -1.455314 ESP Fit Center 1492 is at -3.729645 -0.543628 -1.860498 ESP Fit Center 1493 is at -3.794283 -0.114782 -1.860498 ESP Fit Center 1494 is at -6.251101 0.445971 -1.860498 ESP Fit Center 1495 is at -6.495408 0.087640 -1.860498 ESP Fit Center 1496 is at -6.623240 -0.326783 -1.860498 ESP Fit Center 1497 is at -6.623240 -0.760473 -1.860498 ESP Fit Center 1498 is at -6.495408 -1.174895 -1.860498 ESP Fit Center 1499 is at -6.251101 -1.533226 -1.860498 ESP Fit Center 1500 is at -5.912029 -1.803628 -1.860498 ESP Fit Center 1501 is at -5.508318 -1.962072 -1.860498 ESP Fit Center 1502 is at -5.075841 -1.994482 -1.860498 ESP Fit Center 1503 is at -4.653025 -1.897977 -1.860498 ESP Fit Center 1504 is at -4.277438 -1.681132 -1.860498 ESP Fit Center 1505 is at -3.982454 -1.363215 -1.860498 ESP Fit Center 1506 is at -3.996628 -0.543628 -2.208437 ESP Fit Center 1507 is at -4.076847 -0.114494 -2.208437 ESP Fit Center 1508 is at -4.306670 0.256682 -2.208437 ESP Fit Center 1509 is at -4.655057 0.519772 -2.208437 ESP Fit Center 1510 is at -5.074958 0.639244 -2.208437 ESP Fit Center 1511 is at -5.509663 0.598963 -2.208437 ESP Fit Center 1512 is at -5.900461 0.404368 -2.208437 ESP Fit Center 1513 is at -6.194574 0.081742 -2.208437 ESP Fit Center 1514 is at -6.352280 -0.325344 -2.208437 ESP Fit Center 1515 is at -6.352280 -0.761911 -2.208437 ESP Fit Center 1516 is at -6.194574 -1.168997 -2.208437 ESP Fit Center 1517 is at -5.900461 -1.491624 -2.208437 ESP Fit Center 1518 is at -5.509663 -1.686218 -2.208437 ESP Fit Center 1519 is at -5.074958 -1.726499 -2.208437 ESP Fit Center 1520 is at -4.655057 -1.607027 -2.208437 ESP Fit Center 1521 is at -4.306670 -1.343937 -2.208437 ESP Fit Center 1522 is at -4.076847 -0.972761 -2.208437 ESP Fit Center 1523 is at -4.344568 -0.543628 -2.475421 ESP Fit Center 1524 is at -4.457106 -0.123628 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Center 1561 is at -5.906109 3.091951 1.921246 ESP Fit Center 1562 is at -6.063815 2.684865 1.921246 ESP Fit Center 1563 is at -6.063815 2.248298 1.921246 ESP Fit Center 1564 is at -5.906109 1.841212 1.921246 ESP Fit Center 1565 is at -5.611996 1.518585 1.921246 ESP Fit Center 1566 is at -5.221198 1.323991 1.921246 ESP Fit Center 1567 is at -4.364560 3.820931 1.573307 ESP Fit Center 1568 is at -4.787376 3.917436 1.573307 ESP Fit Center 1569 is at -5.219853 3.885026 1.573307 ESP Fit Center 1570 is at -5.623564 3.726582 1.573307 ESP Fit Center 1571 is at -5.962636 3.456180 1.573307 ESP Fit Center 1572 is at -6.206943 3.097849 1.573307 ESP Fit Center 1573 is at -6.334775 2.683427 1.573307 ESP Fit Center 1574 is at -6.334775 2.249737 1.573307 ESP Fit Center 1575 is at -6.206943 1.835314 1.573307 ESP Fit Center 1576 is at -5.962636 1.476983 1.573307 ESP Fit Center 1577 is at -4.476103 4.034043 1.168123 ESP Fit Center 1578 is at -4.896103 4.089337 1.168123 ESP Fit Center 1579 is at -5.316103 4.034043 1.168123 ESP Fit Center 1580 is at -5.707480 3.871929 1.168123 ESP Fit Center 1581 is at -6.043564 3.614043 1.168123 ESP Fit Center 1582 is at -6.301450 3.277959 1.168123 ESP Fit Center 1583 is at -6.463564 2.886582 1.168123 ESP Fit Center 1584 is at -6.518858 2.466582 1.168123 ESP Fit Center 1585 is at -6.463564 2.046582 1.168123 ESP Fit Center 1586 is at -4.790614 4.143266 0.733307 ESP Fit Center 1587 is at -5.210903 4.116824 0.733307 ESP Fit Center 1588 is at -5.611412 3.986691 0.733307 ESP Fit Center 1589 is at -5.966975 3.761044 0.733307 ESP Fit Center 1590 is at -6.255251 3.454061 0.733307 ESP Fit Center 1591 is at -6.458127 3.085031 0.733307 ESP Fit Center 1592 is at -6.562855 2.677141 0.733307 ESP Fit Center 1593 is at -6.562855 2.256022 0.733307 ESP Fit Center 1594 is at -4.896103 4.089337 0.298491 ESP Fit Center 1595 is at -5.316103 4.034043 0.298491 ESP Fit Center 1596 is at -5.707480 3.871929 0.298491 ESP Fit Center 1597 is at -6.043564 3.614043 0.298491 ESP Fit Center 1598 is at -6.301450 3.277959 0.298491 ESP Fit Center 1599 is at -6.463564 2.886582 0.298491 ESP Fit Center 1600 is at -6.518858 2.466582 0.298491 ESP Fit Center 1601 is at -5.219853 3.885026 -0.106693 ESP Fit Center 1602 is at -5.623564 3.726582 -0.106693 ESP Fit Center 1603 is at -5.962636 3.456180 -0.106693 ESP Fit Center 1604 is at -6.206943 3.097849 -0.106693 ESP Fit Center 1605 is at -6.334775 2.683427 -0.106693 ESP Fit Center 1606 is at -5.611996 3.414578 -0.454632 ESP Fit Center 1607 is at -5.906109 3.091951 -0.454632 ESP Fit Center 1608 is at -6.063815 2.684865 -0.454632 ESP Fit Center 1609 is at -2.719825 3.772196 -0.288716 ESP Fit Center 1610 is at -3.055908 4.030082 -0.288716 ESP Fit Center 1611 is at -3.447286 4.192196 -0.288716 ESP Fit Center 1612 is at -3.867286 4.247490 -0.288716 ESP Fit Center 1613 is at -4.287286 4.192196 -0.288716 ESP Fit Center 1614 is at -2.240066 3.042534 -0.723532 ESP Fit Center 1615 is at -2.395091 3.434081 -0.723532 ESP Fit Center 1616 is at -2.642619 3.774774 -0.723532 ESP Fit Center 1617 is at -2.967097 4.043206 -0.723532 ESP Fit Center 1618 is at -3.348138 4.222510 -0.723532 ESP Fit Center 1619 is at -3.761798 4.301420 -0.723532 ESP Fit Center 1620 is at -4.182087 4.274977 -0.723532 ESP Fit Center 1621 is at -4.582595 4.144844 -0.723532 ESP Fit Center 1622 is at -4.938158 3.919197 -0.723532 ESP Fit Center 1623 is at -5.226435 3.612214 -0.723532 ESP Fit Center 1624 is at -2.244531 2.624735 -1.158348 ESP Fit Center 1625 is at -2.299825 3.044735 -1.158348 ESP Fit Center 1626 is at -2.461939 3.436112 -1.158348 ESP Fit Center 1627 is at -2.719825 3.772196 -1.158348 ESP Fit Center 1628 is at -3.055908 4.030082 -1.158348 ESP Fit Center 1629 is at -3.447286 4.192196 -1.158348 ESP Fit Center 1630 is at -3.867286 4.247490 -1.158348 ESP Fit Center 1631 is at -4.287286 4.192196 -1.158348 ESP Fit Center 1632 is at -4.678664 4.030082 -1.158348 ESP Fit Center 1633 is at -5.014747 3.772196 -1.158348 ESP Fit Center 1634 is at 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1.805148 -1.563532 ESP Fit Center 1653 is at -2.477002 2.195889 -1.563532 ESP Fit Center 1654 is at -2.679347 2.624735 -1.911472 ESP Fit Center 1655 is at -2.759566 3.053868 -1.911472 ESP Fit Center 1656 is at -2.989388 3.425044 -1.911472 ESP Fit Center 1657 is at -3.337776 3.688134 -1.911472 ESP Fit Center 1658 is at -3.757677 3.807607 -1.911472 ESP Fit Center 1659 is at -4.192381 3.767325 -1.911472 ESP Fit Center 1660 is at -4.583180 3.572731 -1.911472 ESP Fit Center 1661 is at -4.877293 3.250104 -1.911472 ESP Fit Center 1662 is at -5.034999 2.843018 -1.911472 ESP Fit Center 1663 is at -5.034999 2.406451 -1.911472 ESP Fit Center 1664 is at -4.877293 1.999365 -1.911472 ESP Fit Center 1665 is at -4.583180 1.676739 -1.911472 ESP Fit Center 1666 is at -4.192381 1.482144 -1.911472 ESP Fit Center 1667 is at -3.757677 1.441863 -1.911472 ESP Fit Center 1668 is at -3.337776 1.561335 -1.911472 ESP Fit Center 1669 is at -2.989388 1.824425 -1.911472 ESP Fit Center 1670 is at -2.759566 2.195601 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ESP Fit Center 1689 is at -3.867286 2.624735 -2.403532 ESP Fit Center 1690 is at -3.083601 2.434584 2.552608 ESP Fit Center 1691 is at -2.648785 2.434584 2.495363 ESP Fit Center 1692 is at -2.866193 2.811146 2.495363 ESP Fit Center 1693 is at -3.301009 2.811146 2.495363 ESP Fit Center 1694 is at -3.518417 2.434584 2.495363 ESP Fit Center 1695 is at -3.301009 2.058023 2.495363 ESP Fit Center 1696 is at -2.866193 2.058023 2.495363 ESP Fit Center 1697 is at -2.243601 2.434584 2.327530 ESP Fit Center 1698 is at -2.356140 2.854584 2.327530 ESP Fit Center 1699 is at -2.663601 3.162046 2.327530 ESP Fit Center 1700 is at -3.083601 3.274584 2.327530 ESP Fit Center 1701 is at -3.503601 3.162046 2.327530 ESP Fit Center 1702 is at -3.811063 2.854584 2.327530 ESP Fit Center 1703 is at -3.503601 1.707123 2.327530 ESP Fit Center 1704 is at -3.083601 1.594584 2.327530 ESP Fit Center 1705 is at -2.663601 1.707123 2.327530 ESP Fit Center 1706 is at -2.356140 2.014584 2.327530 ESP Fit Center 1707 is at 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ESP Fit Center 1726 is at -2.176472 1.297080 1.712608 ESP Fit Center 1727 is at -1.881488 1.614997 1.712608 ESP Fit Center 1728 is at -1.693317 2.005738 1.712608 ESP Fit Center 1729 is at -1.460846 2.434584 1.307424 ESP Fit Center 1730 is at -1.516140 2.854584 1.307424 ESP Fit Center 1731 is at -1.678254 3.245962 1.307424 ESP Fit Center 1732 is at -1.936140 3.582046 1.307424 ESP Fit Center 1733 is at -2.272224 3.839932 1.307424 ESP Fit Center 1734 is at -2.663601 4.002046 1.307424 ESP Fit Center 1735 is at -3.083601 4.057340 1.307424 ESP Fit Center 1736 is at -3.503601 4.002046 1.307424 ESP Fit Center 1737 is at -1.516140 2.014584 1.307424 ESP Fit Center 1738 is at -1.456382 2.852383 0.872608 ESP Fit Center 1739 is at -2.183412 3.853055 0.872608 ESP Fit Center 1740 is at -2.564453 4.032359 0.872608 ESP Fit Center 1741 is at -2.978113 4.111269 0.872608 ESP Fit Center 1742 is at -3.398402 4.084827 0.872608 ESP Fit Center 1743 is at -1.516140 2.854584 0.437792 ESP Fit Center 1744 is at -2.272224 3.839932 0.437792 ESP Fit Center 1745 is at -2.663601 4.002046 0.437792 ESP Fit Center 1746 is at -3.083601 4.057340 0.437792 ESP Fit Center 1747 is at -1.693317 2.863430 0.032608 ESP Fit Center 1748 is at -1.881488 3.254171 0.032608 ESP Fit Center 1749 is at -2.176472 3.572089 0.032608 ESP Fit Center 1750 is at -2.552058 3.788934 0.032608 ESP Fit Center 1751 is at -1.895662 2.434584 -0.315332 ESP Fit Center 1752 is at -1.975881 2.863718 -0.315332 ESP Fit Center 1753 is at -2.205704 3.234894 -0.315332 ESP Fit Center 1754 is at 1.158213 3.541379 2.048764 ESP Fit Center 1755 is at 1.363058 3.896181 2.008413 ESP Fit Center 1756 is at 0.953369 3.896181 2.008413 ESP Fit Center 1757 is at 0.748524 3.541379 2.008413 ESP Fit Center 1758 is at 0.953369 3.186578 2.008413 ESP Fit Center 1759 is at 1.363058 3.186578 2.008413 ESP Fit Center 1760 is at 1.158213 4.345015 1.888911 ESP Fit Center 1761 is at 0.756396 4.237348 1.888911 ESP Fit Center 1762 is at 0.354578 3.541379 1.888911 ESP Fit Center 1763 is at 0.462245 3.139562 1.888911 ESP Fit Center 1764 is at 1.560031 2.845411 1.888911 ESP Fit Center 1765 is at 1.265863 4.703100 1.694850 ESP Fit Center 1766 is at 1.678255 4.585764 -1.797322 ESP Fit Center 1767 is at 2.020413 2.755380 -1.797322 ESP Fit Center 1768 is at 1.961849 3.541379 -1.991383 ESP Fit Center 1769 is at 1.854182 3.943197 -1.991383 ESP Fit Center 1770 is at 1.560031 4.237348 -1.991383 ESP Fit Center 1771 is at 1.158213 4.345015 -1.991383 ESP Fit Center 1772 is at 0.462245 3.139562 -1.991383 ESP Fit Center 1773 is at 1.560031 2.845411 -1.991383 ESP Fit Center 1774 is at 1.854182 3.139562 -1.991383 ESP Fit Center 1775 is at 1.567903 3.541379 -2.110885 ESP Fit Center 1776 is at 1.363058 3.896181 -2.110885 ESP Fit Center 1777 is at 0.953369 3.896181 -2.110885 ESP Fit Center 1778 is at 0.748524 3.541379 -2.110885 ESP Fit Center 1779 is at 0.953369 3.186578 -2.110885 ESP Fit Center 1780 is at 1.363058 3.186578 -2.110885 ESP Fit Center 1781 is at 1.158213 3.541379 -2.151236 ESP Fit Center 1782 is at -0.581679 1.942764 1.507576 ESP Fit Center 1783 is at -0.364271 1.566202 1.507576 ESP Fit Center 1784 is at -0.874325 2.362764 1.339744 ESP Fit Center 1785 is at -0.986863 1.942764 1.339744 ESP Fit Center 1786 is at -0.874325 1.522764 1.339744 ESP Fit Center 1787 is at -1.156870 2.568133 1.072760 ESP Fit Center 1788 is at -1.314576 2.161047 1.072760 ESP Fit Center 1789 is at -1.506012 2.930243 -0.115179 ESP Fit Center 1790 is at -1.708888 2.561213 -0.115179 ESP Fit Center 1791 is at -1.552211 2.754142 -0.549995 ESP Fit Center 1792 is at -1.714325 2.362764 -0.549995 ESP Fit Center 1793 is at -1.457703 2.574031 -0.955179 ESP Fit Center 1794 is at -1.585536 2.159609 -0.955179 ESP Fit Center 1795 is at -1.585536 1.725919 -0.955179 ESP Fit Center 1796 is at -1.156870 2.568133 -1.303118 ESP Fit Center 1797 is at -1.314576 2.161047 -1.303118 ESP Fit Center 1798 is at -1.314576 1.724481 -1.303118 ESP Fit Center 1799 is at -1.156870 1.317394 -1.303118 ESP Fit Center 1800 is at -0.566863 2.670225 -1.570102 ESP Fit Center 1801 is at -0.874325 2.362764 -1.570102 ESP Fit Center 1802 is at -0.986863 1.942764 -1.570102 ESP Fit Center 1803 is at -0.874325 1.522764 -1.570102 ESP Fit Center 1804 is at -0.581679 1.942764 -1.737934 ESP Fit Center 1805 is at -0.364271 1.566202 -1.737934 ESP Fit Center 1806 is at 0.921677 4.531604 1.810298 ESP Fit Center 1807 is at 0.814011 4.933422 1.810298 ESP Fit Center 1808 is at 0.519860 5.227573 1.810298 ESP Fit Center 1809 is at 1.205955 4.953064 1.616237 ESP Fit Center 1810 is at 0.980242 5.317603 1.616237 ESP Fit Center 1811 is at 0.638084 5.575989 1.616237 ESP Fit Center 1812 is at 0.225691 5.693325 1.616237 ESP Fit Center 1813 is at 1.367240 5.334415 1.355075 ESP Fit Center 1814 is at -0.093285 6.001414 1.355075 ESP Fit Center 1815 is at -0.501129 6.164223 1.036848 ESP Fit Center 1816 is at -0.970743 6.137443 0.673786 ESP Fit Center 1817 is at -1.142681 6.160325 0.279841 ESP Fit Center 1818 is at -1.444733 5.873203 0.279841 ESP Fit Center 1819 is at -1.048655 6.277691 -0.129849 ESP Fit Center 1820 is at -1.366882 6.016529 -0.129849 ESP Fit Center 1821 is at -1.628044 5.698302 -0.129849 ESP Fit Center 1822 is at -1.822105 5.335240 -0.129849 ESP Fit Center 1823 is at -1.941607 4.941294 -0.129849 ESP Fit Center 1824 is at -1.981958 4.531604 -0.129849 ESP Fit Center 1825 is at -1.941607 4.121915 -0.129849 ESP Fit Center 1826 is at -1.822105 3.727969 -0.129849 ESP Fit Center 1827 is at -1.628044 3.364907 -0.129849 ESP Fit Center 1828 is at -1.142681 6.160325 -0.539539 ESP Fit Center 1829 is at -1.444733 5.873203 -0.539539 ESP Fit Center 1830 is at -1.682805 5.531156 -0.539539 ESP Fit Center 1831 is at -0.970743 6.137443 -0.933484 ESP Fit Center 1832 is at -1.290496 5.865842 -0.933484 ESP Fit Center 1833 is at -0.873848 5.968605 -1.296547 ESP Fit Center 1834 is at 1.542817 4.949956 -1.614773 ESP Fit Center 1835 is at 1.205955 4.953064 -1.875935 ESP Fit Center 1836 is at 0.980242 5.317603 -1.875935 ESP Fit Center 1837 is at 0.638084 5.575989 -1.875935 ESP Fit Center 1838 is at 0.225691 5.693325 -1.875935 ESP Fit Center 1839 is at 0.921677 4.531604 -2.069996 ESP Fit Center 1840 is at 0.814011 4.933422 -2.069996 ESP Fit Center 1841 is at 0.519860 5.227573 -2.069996 ESP Fit Center 1842 is at 0.814011 4.129787 -2.069996 ESP Fit Center 1843 is at 1.828481 4.867944 1.837240 ESP Fit Center 1844 is at 1.539627 4.551087 1.837240 ESP Fit Center 1845 is at 3.148433 5.287634 1.576078 ESP Fit Center 1846 is at 2.742900 5.406710 1.576078 ESP Fit Center 1847 is at 2.320247 5.406710 1.576078 ESP Fit Center 1848 is at 1.914714 5.287634 1.576078 ESP Fit Center 1849 is at 1.559155 5.059131 1.576078 ESP Fit Center 1850 is at 3.838538 5.094769 1.257852 ESP Fit Center 1851 is at 1.539683 5.373901 1.257852 ESP Fit Center 1852 is at 4.426361 4.353974 0.894789 ESP Fit Center 1853 is at 4.292403 4.751546 0.894789 ESP Fit Center 1854 is at 4.076111 5.111027 0.894789 ESP Fit Center 1855 is at 4.591223 3.936900 0.500844 ESP Fit Center 1856 is at 4.549061 4.351504 0.500844 ESP Fit Center 1857 is at 4.424304 4.749134 0.500844 ESP Fit Center 1858 is at 4.222058 5.113512 0.500844 ESP Fit Center 1859 is at 4.424304 3.124665 0.500844 ESP Fit Center 1860 is at 4.549061 3.522295 0.500844 ESP Fit Center 1861 is at 4.631573 3.936900 0.091154 ESP Fit Center 1862 is at 4.591223 4.346589 0.091154 ESP Fit Center 1863 is at 4.471720 4.740535 0.091154 ESP Fit Center 1864 is at 4.549061 4.351504 -0.318535 ESP Fit Center 1865 is at 4.424304 4.749134 -0.318535 ESP Fit Center 1866 is at 4.292403 4.751546 -0.712481 ESP Fit Center 1867 is at 4.077656 4.748347 -1.075543 ESP Fit Center 1868 is at 3.780771 4.739710 -1.393770 ESP Fit Center 1869 is at 3.393773 4.722899 -1.654932 ESP Fit Center 1870 is at 1.828481 4.867944 -1.654932 ESP Fit Center 1871 is at 2.933391 4.632868 -1.848993 ESP Fit Center 1872 is at 2.531573 4.740535 -1.848993 ESP Fit Center 1873 is at 2.129756 4.632868 -1.848993 ESP Fit Center 1874 is at 2.736418 4.291701 -1.968495 ESP Fit Center 1875 is at 2.326729 4.291701 -1.968495 ESP Fit Center 1876 is at 2.121884 3.936900 -1.968495 ESP Fit Center 1877 is at 0.773938 5.922079 1.455500 ESP Fit Center 1878 is at 0.339122 5.922079 1.455500 ESP Fit Center 1879 is at 1.396530 5.545517 1.287667 ESP Fit Center 1880 is at 1.283991 5.965517 1.287667 ESP Fit Center 1881 is at 0.976530 6.272978 1.287667 ESP Fit Center 1882 is at 0.556530 6.385517 1.287667 ESP Fit Center 1883 is at 0.136530 6.272978 1.287667 ESP Fit Center 1884 is at 1.664250 5.974650 1.020684 ESP Fit Center 1885 is at 1.434428 6.345826 1.020684 ESP Fit Center 1886 is at 1.086040 6.608917 1.020684 ESP Fit Center 1887 is at 0.666139 6.728389 1.020684 ESP Fit Center 1888 is at 0.231435 6.688107 1.020684 ESP Fit Center 1889 is at -0.159364 6.493513 1.020684 ESP Fit Center 1890 is at 1.758643 6.365104 0.672744 ESP Fit Center 1891 is at 1.463659 6.683021 0.672744 ESP Fit Center 1892 is at 1.088073 6.899866 0.672744 ESP Fit Center 1893 is at 0.665256 6.996371 0.672744 ESP Fit Center 1894 is at 0.232779 6.963962 0.672744 ESP Fit Center 1895 is at -0.170932 6.805517 0.672744 ESP Fit Center 1896 is at -0.510004 6.535116 0.672744 ESP Fit Center 1897 is at 1.703991 6.692978 0.267560 ESP Fit Center 1898 is at 1.367907 6.950864 0.267560 ESP Fit Center 1899 is at 0.976530 7.112978 0.267560 ESP Fit Center 1900 is at 0.556530 7.168272 0.267560 ESP Fit Center 1901 is at 0.136530 7.112978 0.267560 ESP Fit Center 1902 is at -0.254848 6.950864 0.267560 ESP Fit Center 1903 is at -0.590932 6.692978 0.267560 ESP Fit Center 1904 is at -0.848818 6.356895 0.267560 ESP Fit Center 1905 is at 1.781197 6.695556 -0.167256 ESP Fit Center 1906 is at 1.456719 6.963988 -0.167256 ESP Fit Center 1907 is at 1.075678 7.143292 -0.167256 ESP Fit Center 1908 is at 0.662018 7.222202 -0.167256 ESP Fit Center 1909 is at 0.241729 7.195759 -0.167256 ESP Fit Center 1910 is at -0.158779 7.065626 -0.167256 ESP Fit Center 1911 is at -0.514343 6.839979 -0.167256 ESP Fit Center 1912 is at -0.802619 6.532996 -0.167256 ESP Fit Center 1913 is at 1.703991 6.692978 -0.602072 ESP Fit Center 1914 is at 1.367907 6.950864 -0.602072 ESP Fit Center 1915 is at 0.976530 7.112978 -0.602072 ESP Fit Center 1916 is at 0.556530 7.168272 -0.602072 ESP Fit Center 1917 is at 0.136530 7.112978 -0.602072 ESP Fit Center 1918 is at -0.254848 6.950864 -0.602072 ESP Fit Center 1919 is at -0.590932 6.692978 -0.602072 ESP Fit Center 1920 is at -0.848818 6.356895 -0.602072 ESP Fit Center 1921 is at 1.758643 6.365104 -1.007256 ESP Fit Center 1922 is at 1.463659 6.683021 -1.007256 ESP Fit Center 1923 is at 1.088073 6.899866 -1.007256 ESP Fit Center 1924 is at 0.665256 6.996371 -1.007256 ESP Fit Center 1925 is at 0.232779 6.963962 -1.007256 ESP Fit Center 1926 is at -0.170932 6.805517 -1.007256 ESP Fit Center 1927 is at -0.510004 6.535116 -1.007256 ESP Fit Center 1928 is at 1.664250 5.974650 -1.355195 ESP Fit Center 1929 is at 1.434428 6.345826 -1.355195 ESP Fit Center 1930 is at 1.086040 6.608917 -1.355195 ESP Fit Center 1931 is at 0.666139 6.728389 -1.355195 ESP Fit Center 1932 is at 0.231435 6.688107 -1.355195 ESP Fit Center 1933 is at -0.159364 6.493513 -1.355195 ESP Fit Center 1934 is at -0.453477 6.170886 -1.355195 ESP Fit Center 1935 is at 1.396530 5.545517 -1.622178 ESP Fit Center 1936 is at 1.283991 5.965517 -1.622178 ESP Fit Center 1937 is at 0.976530 6.272978 -1.622178 ESP Fit Center 1938 is at 0.556530 6.385517 -1.622178 ESP Fit Center 1939 is at 0.136530 6.272978 -1.622178 ESP Fit Center 1940 is at 0.991346 5.545517 -1.790011 ESP Fit Center 1941 is at 0.773938 5.922079 -1.790011 ESP Fit Center 1942 is at 0.339122 5.922079 -1.790011 ESP Fit Center 1943 is at -0.534974 4.433764 2.431773 ESP Fit Center 1944 is at -0.100158 4.433764 2.374528 ESP Fit Center 1945 is at -0.317566 4.810326 2.374528 ESP Fit Center 1946 is at -0.752382 4.810326 2.374528 ESP Fit Center 1947 is at -0.969790 4.433764 2.374528 ESP Fit Center 1948 is at -0.752382 4.057203 2.374528 ESP Fit Center 1949 is at -0.317566 4.057203 2.374528 ESP Fit Center 1950 is at 0.305026 4.433764 2.206695 ESP Fit Center 1951 is at 0.192488 4.853764 2.206695 ESP Fit Center 1952 is at -0.114974 5.161226 2.206695 ESP Fit Center 1953 is at -0.534974 5.273764 2.206695 ESP Fit Center 1954 is at -0.954974 5.161226 2.206695 ESP Fit Center 1955 is at -1.262435 4.853764 2.206695 ESP Fit Center 1956 is at -1.374974 4.433764 2.206695 ESP Fit Center 1957 is at -1.262435 4.013764 2.206695 ESP Fit Center 1958 is at -0.954974 3.706303 2.206695 ESP Fit Center 1959 is at -0.534974 3.593764 2.206695 ESP Fit Center 1960 is at -0.114974 3.706303 2.206695 ESP Fit Center 1961 is at 0.192488 4.013764 2.206695 ESP Fit Center 1962 is at 0.652966 4.433764 1.939712 ESP Fit Center 1963 is at 0.572747 4.862898 1.939712 ESP Fit Center 1964 is at 0.342924 5.234074 1.939712 ESP Fit Center 1965 is at -0.005464 5.497164 1.939712 ESP Fit Center 1966 is at -0.425364 5.616636 1.939712 ESP Fit Center 1967 is at -0.860069 5.576355 1.939712 ESP Fit Center 1968 is at -1.250867 5.381760 1.939712 ESP Fit Center 1969 is at -1.544980 5.059134 1.939712 ESP Fit Center 1970 is at -1.702686 4.652048 1.939712 ESP Fit Center 1971 is at -1.702686 4.215481 1.939712 ESP Fit Center 1972 is at -1.544980 3.808395 1.939712 ESP Fit Center 1973 is at -1.250867 3.485768 1.939712 ESP Fit Center 1974 is at -0.860069 3.291174 1.939712 ESP Fit Center 1975 is at -0.425364 3.250892 1.939712 ESP Fit Center 1976 is at -0.005464 3.370365 1.939712 ESP Fit Center 1977 is at 0.342924 3.633455 1.939712 ESP Fit Center 1978 is at 0.572747 4.004631 1.939712 ESP Fit Center 1979 is at -0.003431 5.788114 1.591773 ESP Fit Center 1980 is at -0.426247 5.884619 1.591773 ESP Fit Center 1981 is at -0.858724 5.852209 1.591773 ESP Fit Center 1982 is at -1.262435 5.693764 1.591773 ESP Fit Center 1983 is at -1.601507 5.423363 1.591773 ESP Fit Center 1984 is at -1.845814 5.065032 1.591773 ESP Fit Center 1985 is at -1.973646 4.650609 1.591773 ESP Fit Center 1986 is at -1.973646 4.216919 1.591773 ESP Fit Center 1987 is at -1.845814 3.802497 1.591773 ESP Fit Center 1988 is at -1.601507 3.444166 1.591773 ESP Fit Center 1989 is at -1.262435 3.173764 1.591773 ESP Fit Center 1990 is at -0.858724 3.015320 1.591773 ESP Fit Center 1991 is at -0.426247 2.982910 1.591773 ESP Fit Center 1992 is at -0.534974 6.056520 1.186589 ESP Fit Center 1993 is at -0.954974 6.001226 1.186589 ESP Fit Center 1994 is at -1.346351 5.839112 1.186589 ESP Fit Center 1995 is at -1.682435 5.581226 1.186589 ESP Fit Center 1996 is at -1.940321 5.245142 1.186589 ESP Fit Center 1997 is at -2.102435 4.853764 1.186589 ESP Fit Center 1998 is at -2.157729 4.433764 1.186589 ESP Fit Center 1999 is at -2.102435 4.013764 1.186589 ESP Fit Center 2000 is at -1.346351 3.028417 1.186589 ESP Fit Center 2001 is at -0.954974 2.866303 1.186589 ESP Fit Center 2002 is at -1.250283 5.953874 0.751773 ESP Fit Center 2003 is at -1.605846 5.728227 0.751773 ESP Fit Center 2004 is at -1.894122 5.421244 0.751773 ESP Fit Center 2005 is at -2.096998 5.052214 0.751773 ESP Fit Center 2006 is at -2.201726 4.644324 0.751773 ESP Fit Center 2007 is at -2.201726 4.223205 0.751773 ESP Fit Center 2008 is at -2.096998 3.815315 0.751773 ESP Fit Center 2009 is at -1.250283 2.913655 0.751773 ESP Fit Center 2010 is at -1.682435 5.581226 0.316957 ESP Fit Center 2011 is at -1.940321 5.245142 0.316957 ESP Fit Center 2012 is at -2.102435 4.853764 0.316957 ESP Fit Center 2013 is at -2.157729 4.433764 0.316957 ESP Fit Center 2014 is at -2.102435 4.013764 0.316957 ESP Fit Center 2015 is at -1.940321 3.622387 0.316957 ESP Fit Center 2016 is at -1.682435 3.286303 0.316957 ESP Fit Center 2017 is at -1.973646 4.216919 -0.088227 ESP Fit Center 2018 is at -1.903930 5.152018 -0.586686 ESP Fit Center 2019 is at -2.066044 4.760641 -0.586686 ESP Fit Center 2020 is at -2.121338 4.340641 -0.586686 ESP Fit Center 2021 is at -2.066044 3.920641 -0.586686 ESP Fit Center 2022 is at -1.903930 3.529263 -0.586686 ESP Fit Center 2023 is at -1.646044 3.193179 -0.586686 ESP Fit Center 2024 is at -1.569455 5.635103 -1.021502 ESP Fit Center 2025 is at -1.857731 5.328120 -1.021502 ESP Fit Center 2026 is at -2.060607 4.959090 -1.021502 ESP Fit Center 2027 is at -2.165335 4.551201 -1.021502 ESP Fit Center 2028 is at -2.165335 4.130081 -1.021502 ESP Fit Center 2029 is at -2.060607 3.722192 -1.021502 ESP Fit Center 2030 is at -1.857731 3.353162 -1.021502 ESP Fit Center 2031 is at -1.569455 3.046179 -1.021502 ESP Fit Center 2032 is at -0.918583 5.908102 -1.456318 ESP Fit Center 2033 is at -1.309960 5.745988 -1.456318 ESP Fit Center 2034 is at -1.646044 5.488102 -1.456318 ESP Fit Center 2035 is at -1.903930 5.152018 -1.456318 ESP Fit Center 2036 is at -2.066044 4.760641 -1.456318 ESP Fit Center 2037 is at -2.121338 4.340641 -1.456318 ESP Fit Center 2038 is at -2.066044 3.920641 -1.456318 ESP Fit Center 2039 is at -1.903930 3.529263 -1.456318 ESP Fit Center 2040 is at -1.646044 3.193179 -1.456318 ESP Fit Center 2041 is at -1.309960 2.935293 -1.456318 ESP Fit Center 2042 is at -0.918583 2.773179 -1.456318 ESP Fit Center 2043 is at -0.389856 5.791495 -1.861502 ESP Fit Center 2044 is at -0.822334 5.759086 -1.861502 ESP Fit Center 2045 is at -1.226044 5.600641 -1.861502 ESP Fit Center 2046 is at -1.565117 5.330240 -1.861502 ESP Fit Center 2047 is at -1.809423 4.971908 -1.861502 ESP Fit Center 2048 is at -1.937255 4.557486 -1.861502 ESP Fit Center 2049 is at -1.937255 4.123796 -1.861502 ESP Fit Center 2050 is at -1.809423 3.709373 -1.861502 ESP Fit Center 2051 is at -1.565117 3.351042 -1.861502 ESP Fit Center 2052 is at -1.226044 3.080641 -1.861502 ESP Fit Center 2053 is at -0.822334 2.922196 -1.861502 ESP Fit Center 2054 is at -0.389856 2.889786 -1.861502 ESP Fit Center 2055 is at 0.032960 2.986291 -1.861502 ESP Fit Center 2056 is at 0.689357 4.340641 -2.209442 ESP Fit Center 2057 is at 0.609138 4.769774 -2.209442 ESP Fit Center 2058 is at 0.379315 5.140950 -2.209442 ESP Fit Center 2059 is at 0.030927 5.404041 -2.209442 ESP Fit Center 2060 is at -0.388974 5.523513 -2.209442 ESP Fit Center 2061 is at -0.823678 5.483231 -2.209442 ESP Fit Center 2062 is at -1.214476 5.288637 -2.209442 ESP Fit Center 2063 is at -1.508589 4.966010 -2.209442 ESP Fit Center 2064 is at -1.666295 4.558924 -2.209442 ESP Fit Center 2065 is at -1.666295 4.122357 -2.209442 ESP Fit Center 2066 is at -1.508589 3.715271 -2.209442 ESP Fit Center 2067 is at -1.214476 3.392645 -2.209442 ESP Fit Center 2068 is at -0.823678 3.198050 -2.209442 ESP Fit Center 2069 is at -0.388974 3.157769 -2.209442 ESP Fit Center 2070 is at 0.030927 3.277241 -2.209442 ESP Fit Center 2071 is at 0.379315 3.540331 -2.209442 ESP Fit Center 2072 is at 0.609138 3.911508 -2.209442 ESP Fit Center 2073 is at 0.341417 4.340641 -2.476425 ESP Fit Center 2074 is at 0.228879 4.760641 -2.476425 ESP Fit Center 2075 is at -0.078583 5.068102 -2.476425 ESP Fit Center 2076 is at -0.498583 5.180641 -2.476425 ESP Fit Center 2077 is at -0.918583 5.068102 -2.476425 ESP Fit Center 2078 is at -1.226044 4.760641 -2.476425 ESP Fit Center 2079 is at -1.338583 4.340641 -2.476425 ESP Fit Center 2080 is at -1.226044 3.920641 -2.476425 ESP Fit Center 2081 is at -0.918583 3.613179 -2.476425 ESP Fit Center 2082 is at -0.498583 3.500641 -2.476425 ESP Fit Center 2083 is at -0.078583 3.613179 -2.476425 ESP Fit Center 2084 is at 0.228879 3.920641 -2.476425 ESP Fit Center 2085 is at -0.063767 4.340641 -2.644258 ESP Fit Center 2086 is at -0.281175 4.717202 -2.644258 ESP Fit Center 2087 is at -0.715991 4.717202 -2.644258 ESP Fit Center 2088 is at -0.933399 4.340641 -2.644258 ESP Fit Center 2089 is at -0.715991 3.964079 -2.644258 ESP Fit Center 2090 is at -0.281175 3.964079 -2.644258 ESP Fit Center 2091 is at -0.498583 4.340641 -2.701502 ESP Fit Center 2092 is at 3.364900 5.436730 1.364545 ESP Fit Center 2093 is at 3.057438 5.744191 1.364545 ESP Fit Center 2094 is at 2.637438 5.856730 1.364545 ESP Fit Center 2095 is at 2.217438 5.744191 1.364545 ESP Fit Center 2096 is at 3.745159 5.445863 1.097562 ESP Fit Center 2097 is at 3.515336 5.817039 1.097562 ESP Fit Center 2098 is at 3.166948 6.080130 1.097562 ESP Fit Center 2099 is at 2.747047 6.199602 1.097562 ESP Fit Center 2100 is at 2.312343 6.159320 1.097562 ESP Fit Center 2101 is at 1.921545 5.964726 1.097562 ESP Fit Center 2102 is at 4.027723 5.445576 0.749623 ESP Fit Center 2103 is at 3.839552 5.836317 0.749623 ESP Fit Center 2104 is at 3.544568 6.154234 0.749623 ESP Fit Center 2105 is at 3.168981 6.371079 0.749623 ESP Fit Center 2106 is at 2.746165 6.467584 0.749623 ESP Fit Center 2107 is at 2.313687 6.435175 0.749623 ESP Fit Center 2108 is at 1.909977 6.276730 0.749623 ESP Fit Center 2109 is at 4.204900 5.436730 0.344439 ESP Fit Center 2110 is at 4.042786 5.828108 0.344439 ESP Fit Center 2111 is at 3.784900 6.164191 0.344439 ESP Fit Center 2112 is at 3.448816 6.422077 0.344439 ESP Fit Center 2113 is at 3.057438 6.584191 0.344439 ESP Fit Center 2114 is at 2.637438 6.639485 0.344439 ESP Fit Center 2115 is at 2.217438 6.584191 0.344439 ESP Fit Center 2116 is at 4.264658 5.434529 -0.090377 ESP Fit Center 2117 is at 4.109633 5.826076 -0.090377 ESP Fit Center 2118 is at 3.862105 6.166769 -0.090377 ESP Fit Center 2119 is at 3.537627 6.435201 -0.090377 ESP Fit Center 2120 is at 3.156587 6.614505 -0.090377 ESP Fit Center 2121 is at 2.742926 6.693415 -0.090377 ESP Fit Center 2122 is at 2.322638 6.666972 -0.090377 ESP Fit Center 2123 is at 1.922129 6.536839 -0.090377 ESP Fit Center 2124 is at 4.260194 5.016730 -0.525193 ESP Fit Center 2125 is at 4.204900 5.436730 -0.525193 ESP Fit Center 2126 is at 4.042786 5.828108 -0.525193 ESP Fit Center 2127 is at 3.784900 6.164191 -0.525193 ESP Fit Center 2128 is at 3.448816 6.422077 -0.525193 ESP Fit Center 2129 is at 3.057438 6.584191 -0.525193 ESP Fit Center 2130 is at 2.637438 6.639485 -0.525193 ESP Fit Center 2131 is at 2.217438 6.584191 -0.525193 ESP Fit Center 2132 is at 4.092361 5.016730 -0.930377 ESP Fit Center 2133 is at 4.027723 5.445576 -0.930377 ESP Fit Center 2134 is at 3.839552 5.836317 -0.930377 ESP Fit Center 2135 is at 3.544568 6.154234 -0.930377 ESP Fit Center 2136 is at 3.168981 6.371079 -0.930377 ESP Fit Center 2137 is at 2.746165 6.467584 -0.930377 ESP Fit Center 2138 is at 2.313687 6.435175 -0.930377 ESP Fit Center 2139 is at 1.909977 6.276730 -0.930377 ESP Fit Center 2140 is at 3.825378 5.016730 -1.278317 ESP Fit Center 2141 is at 3.745159 5.445863 -1.278317 ESP Fit Center 2142 is at 3.515336 5.817039 -1.278317 ESP Fit Center 2143 is at 3.166948 6.080130 -1.278317 ESP Fit Center 2144 is at 2.747047 6.199602 -1.278317 ESP Fit Center 2145 is at 2.312343 6.159320 -1.278317 ESP Fit Center 2146 is at 1.921545 5.964726 -1.278317 ESP Fit Center 2147 is at 3.477438 5.016730 -1.545300 ESP Fit Center 2148 is at 3.364900 5.436730 -1.545300 ESP Fit Center 2149 is at 3.057438 5.744191 -1.545300 ESP Fit Center 2150 is at 2.637438 5.856730 -1.545300 ESP Fit Center 2151 is at 2.217438 5.744191 -1.545300 ESP Fit Center 2152 is at 1.909977 5.436730 -1.545300 ESP Fit Center 2153 is at 3.072254 5.016730 -1.713133 ESP Fit Center 2154 is at 2.854846 5.393292 -1.713133 ESP Fit Center 2155 is at 2.420030 5.393292 -1.713133 ESP Fit Center 2156 is at 2.202622 5.016730 -1.713133 ESP Fit Center 2157 is at 2.637438 5.016730 -1.770377 ESP Fit Center 2158 is at 4.608803 3.357123 0.232553 ESP Fit Center 2159 is at 4.061009 2.219619 0.232553 ESP Fit Center 2160 is at 4.355994 2.537536 0.232553 ESP Fit Center 2161 is at 4.544165 2.928277 0.232553 ESP Fit Center 2162 is at 4.776635 3.357123 -0.172631 ESP Fit Center 2163 is at 4.721341 3.777123 -0.172631 ESP Fit Center 2164 is at 4.301341 2.209662 -0.172631 ESP Fit Center 2165 is at 4.559227 2.545745 -0.172631 ESP Fit Center 2166 is at 4.721341 2.937123 -0.172631 ESP Fit Center 2167 is at 4.833880 3.357123 -0.607447 ESP Fit Center 2168 is at 4.781100 3.774922 -0.607447 ESP Fit Center 2169 is at 4.626075 4.166469 -0.607447 ESP Fit Center 2170 is at 4.378547 2.207084 -0.607447 ESP Fit Center 2171 is at 4.626075 2.547777 -0.607447 ESP Fit Center 2172 is at 4.781100 2.939324 -0.607447 ESP Fit Center 2173 is at 4.776635 3.357123 -1.042263 ESP Fit Center 2174 is at 4.721341 3.777123 -1.042263 ESP Fit Center 2175 is at 4.559227 4.168501 -1.042263 ESP Fit Center 2176 is at 4.301341 4.504584 -1.042263 ESP Fit Center 2177 is at 4.301341 2.209662 -1.042263 ESP Fit Center 2178 is at 4.559227 2.545745 -1.042263 ESP Fit Center 2179 is at 4.721341 2.937123 -1.042263 ESP Fit Center 2180 is at 4.608803 3.357123 -1.447447 ESP Fit Center 2181 is at 4.544165 3.785969 -1.447447 ESP Fit Center 2182 is at 4.355994 4.176710 -1.447447 ESP Fit Center 2183 is at 4.061009 4.494627 -1.447447 ESP Fit Center 2184 is at 3.262606 1.906269 -1.447447 ESP Fit Center 2185 is at 3.685423 2.002774 -1.447447 ESP Fit Center 2186 is at 4.061009 2.219619 -1.447447 ESP Fit Center 2187 is at 4.355994 2.537536 -1.447447 ESP Fit Center 2188 is at 4.544165 2.928277 -1.447447 ESP Fit Center 2189 is at 4.341819 3.357123 -1.795387 ESP Fit Center 2190 is at 4.261600 3.786256 -1.795387 ESP Fit Center 2191 is at 4.031778 4.157433 -1.795387 ESP Fit Center 2192 is at 3.683390 4.420523 -1.795387 ESP Fit Center 2193 is at 3.263489 4.539995 -1.795387 ESP Fit Center 2194 is at 2.143874 2.731753 -1.795387 ESP Fit Center 2195 is at 2.437987 2.409127 -1.795387 ESP Fit Center 2196 is at 2.828785 2.214532 -1.795387 ESP Fit Center 2197 is at 3.263489 2.174251 -1.795387 ESP Fit Center 2198 is at 3.683390 2.293723 -1.795387 ESP Fit Center 2199 is at 4.031778 2.556813 -1.795387 ESP Fit Center 2200 is at 4.261600 2.927990 -1.795387 ESP Fit Center 2201 is at 3.993880 3.357123 -2.062370 ESP Fit Center 2202 is at 3.881341 3.777123 -2.062370 ESP Fit Center 2203 is at 3.573880 4.084584 -2.062370 ESP Fit Center 2204 is at 3.153880 4.197123 -2.062370 ESP Fit Center 2205 is at 2.733880 4.084584 -2.062370 ESP Fit Center 2206 is at 2.426419 3.777123 -2.062370 ESP Fit Center 2207 is at 2.313880 3.357123 -2.062370 ESP Fit Center 2208 is at 2.426419 2.937123 -2.062370 ESP Fit Center 2209 is at 2.733880 2.629662 -2.062370 ESP Fit Center 2210 is at 3.153880 2.517123 -2.062370 ESP Fit Center 2211 is at 3.573880 2.629662 -2.062370 ESP Fit Center 2212 is at 3.881341 2.937123 -2.062370 ESP Fit Center 2213 is at 3.588696 3.357123 -2.230203 ESP Fit Center 2214 is at 3.371288 3.733685 -2.230203 ESP Fit Center 2215 is at 2.936472 3.733685 -2.230203 ESP Fit Center 2216 is at 2.719064 3.357123 -2.230203 ESP Fit Center 2217 is at 2.936472 2.980561 -2.230203 ESP Fit Center 2218 is at 3.371288 2.980561 -2.230203 ESP Fit Center 2219 is at 3.153880 3.357123 -2.287447 ESP Fit Center 2220 is at 2.862342 3.696870 2.792266 ESP Fit Center 2221 is at 3.297158 3.696870 2.735021 ESP Fit Center 2222 is at 3.079750 4.073432 2.735021 ESP Fit Center 2223 is at 2.644934 4.073432 2.735021 ESP Fit Center 2224 is at 2.427526 3.696870 2.735021 ESP Fit Center 2225 is at 2.644934 3.320309 2.735021 ESP Fit Center 2226 is at 3.079750 3.320309 2.735021 ESP Fit Center 2227 is at 3.702342 3.696870 2.567188 ESP Fit Center 2228 is at 3.589804 4.116870 2.567188 ESP Fit Center 2229 is at 3.282342 4.424332 2.567188 ESP Fit Center 2230 is at 2.862342 4.536870 2.567188 ESP Fit Center 2231 is at 2.442342 4.424332 2.567188 ESP Fit Center 2232 is at 2.134881 4.116870 2.567188 ESP Fit Center 2233 is at 2.022342 3.696870 2.567188 ESP Fit Center 2234 is at 2.134881 3.276870 2.567188 ESP Fit Center 2235 is at 2.442342 2.969409 2.567188 ESP Fit Center 2236 is at 2.862342 2.856870 2.567188 ESP Fit Center 2237 is at 3.282342 2.969409 2.567188 ESP Fit Center 2238 is at 3.589804 3.276870 2.567188 ESP Fit Center 2239 is at 4.050282 3.696870 2.300205 ESP Fit Center 2240 is at 3.970063 4.126004 2.300205 ESP Fit Center 2241 is at 3.740240 4.497180 2.300205 ESP Fit Center 2242 is at 3.391853 4.760270 2.300205 ESP Fit Center 2243 is at 2.971952 4.879742 2.300205 ESP Fit Center 2244 is at 2.537247 4.839461 2.300205 ESP Fit Center 2245 is at 2.146449 4.644866 2.300205 ESP Fit Center 2246 is at 1.852336 4.322240 2.300205 ESP Fit Center 2247 is at 1.694630 3.915154 2.300205 ESP Fit Center 2248 is at 1.694630 3.478587 2.300205 ESP Fit Center 2249 is at 1.852336 3.071501 2.300205 ESP Fit Center 2250 is at 2.146449 2.748874 2.300205 ESP Fit Center 2251 is at 2.537247 2.554280 2.300205 ESP Fit Center 2252 is at 2.971952 2.513999 2.300205 ESP Fit Center 2253 is at 3.391853 2.633471 2.300205 ESP Fit Center 2254 is at 3.740240 2.896561 2.300205 ESP Fit Center 2255 is at 3.970063 3.267737 2.300205 ESP Fit Center 2256 is at 4.317265 3.696870 1.952266 ESP Fit Center 2257 is at 4.252627 4.125716 1.952266 ESP Fit Center 2258 is at 4.064456 4.516458 1.952266 ESP Fit Center 2259 is at 3.769472 4.834375 1.952266 ESP Fit Center 2260 is at 3.393885 5.051220 1.952266 ESP Fit Center 2261 is at 2.971069 5.147725 1.952266 ESP Fit Center 2262 is at 2.538592 5.115315 1.952266 ESP Fit Center 2263 is at 2.134881 4.956870 1.952266 ESP Fit Center 2264 is at 1.795809 4.686469 1.952266 ESP Fit Center 2265 is at 1.551502 4.328138 1.952266 ESP Fit Center 2266 is at 1.795809 2.707272 1.952266 ESP Fit Center 2267 is at 2.134881 2.436870 1.952266 ESP Fit Center 2268 is at 2.538592 2.278426 1.952266 ESP Fit Center 2269 is at 2.971069 2.246016 1.952266 ESP Fit Center 2270 is at 3.393885 2.342521 1.952266 ESP Fit Center 2271 is at 3.769472 2.559366 1.952266 ESP Fit Center 2272 is at 4.064456 2.877283 1.952266 ESP Fit Center 2273 is at 4.252627 3.268024 1.952266 ESP Fit Center 2274 is at 4.485098 3.696870 1.547082 ESP Fit Center 2275 is at 4.429804 4.116870 1.547082 ESP Fit Center 2276 is at 4.267690 4.508248 1.547082 ESP Fit Center 2277 is at 4.009804 4.844332 1.547082 ESP Fit Center 2278 is at 3.673720 5.102218 1.547082 ESP Fit Center 2279 is at 3.282342 5.264332 1.547082 ESP Fit Center 2280 is at 3.282342 2.129409 1.547082 ESP Fit Center 2281 is at 3.673720 2.291523 1.547082 ESP Fit Center 2282 is at 4.009804 2.549409 1.547082 ESP Fit Center 2283 is at 4.267690 2.885493 1.547082 ESP Fit Center 2284 is at 4.429804 3.276870 1.547082 ESP Fit Center 2285 is at 4.542342 3.696870 1.112266 ESP Fit Center 2286 is at 4.489562 4.114669 1.112266 ESP Fit Center 2287 is at 4.334538 4.506217 1.112266 ESP Fit Center 2288 is at 3.381491 2.099095 1.112266 ESP Fit Center 2289 is at 3.762531 2.278399 1.112266 ESP Fit Center 2290 is at 4.087010 2.546831 1.112266 ESP Fit Center 2291 is at 4.334538 2.887524 1.112266 ESP Fit Center 2292 is at 4.489562 3.279071 1.112266 ESP Fit Center 2293 is at 4.009804 2.549409 0.677450 ESP Fit Center 2294 is at 4.267690 2.885493 0.677450 ESP Fit Center 2295 is at 2.328489 -2.237577 -2.133969 ESP Fit Center 2296 is at 2.536867 -1.876656 -2.310771 ESP Fit Center 2297 is at 2.837318 -2.177107 -2.310771 ESP Fit Center 2298 is at 5.577057 -0.030460 0.976429 ESP Fit Center 2299 is at 5.409678 0.354884 0.976429 ESP Fit Center 2300 is at 5.734523 0.378447 0.680613 ESP Fit Center 2301 is at 5.797499 0.740686 0.337922 ESP Fit Center 2302 is at 5.871487 1.108391 -0.445322 ESP Fit Center 2303 is at 5.930080 1.096017 -0.862078 ESP Fit Center 2304 is at 5.871487 1.108391 -1.278833 ESP Fit Center 2305 is at 5.565216 1.401216 -1.278833 ESP Fit Center 2306 is at 5.988821 0.772614 -1.682926 ESP Fit Center 2307 is at 5.723784 1.109636 -1.682926 ESP Fit Center 2308 is at 5.399754 1.390410 -1.682926 ESP Fit Center 2309 is at 5.028444 1.604786 -1.682926 ESP Fit Center 2310 is at 5.028444 -2.498132 -1.682926 ESP Fit Center 2311 is at 5.797499 0.740686 -2.062078 ESP Fit Center 2312 is at 5.523565 1.059781 -2.062078 ESP Fit Center 2313 is at 5.191005 1.317201 -2.062078 ESP Fit Center 2314 is at 4.813434 1.502408 -2.062078 ESP Fit Center 2315 is at 4.406311 1.607820 -2.062078 ESP Fit Center 2316 is at 3.986301 1.629120 -2.062078 ESP Fit Center 2317 is at 3.570602 1.565438 -2.062078 ESP Fit Center 2318 is at 3.176232 1.419379 -2.062078 ESP Fit Center 2319 is at 4.813434 -2.395754 -2.062078 ESP Fit Center 2320 is at 5.734523 0.378447 -2.404768 ESP Fit Center 2321 is at 5.499952 0.735096 -2.404768 ESP Fit Center 2322 is at 5.189454 1.028036 -2.404768 ESP Fit Center 2323 is at 4.819769 1.241474 -2.404768 ESP Fit Center 2324 is at 4.410827 1.363903 -2.404768 ESP Fit Center 2325 is at 3.984674 -2.282069 -2.404768 ESP Fit Center 2326 is at 4.410827 -2.257249 -2.404768 ESP Fit Center 2327 is at 4.819769 -2.134819 -2.404768 ESP Fit Center 2328 is at 5.189454 -1.921382 -2.404768 ESP Fit Center 2329 is at 5.634264 -0.446673 -2.700584 ESP Fit Center 2330 is at 5.577057 -0.030460 -2.700584 ESP Fit Center 2331 is at 5.409678 0.354884 -2.700584 ESP Fit Center 2332 is at 5.144542 0.680781 -2.700584 ESP Fit Center 2333 is at 5.144542 -1.574126 -2.700584 ESP Fit Center 2334 is at 5.409678 -1.248230 -2.700584 ESP Fit Center 2335 is at 5.577057 -0.862886 -2.700584 ESP Fit Center 2336 is at 3.711173 -1.466800 3.545187 ESP Fit Center 2337 is at 4.122772 -1.466800 3.507047 ESP Fit Center 2338 is at 3.916972 -1.110345 3.507047 ESP Fit Center 2339 is at 3.505373 -1.110345 3.507047 ESP Fit Center 2340 is at 3.299574 -1.466800 3.507047 ESP Fit Center 2341 is at 3.505373 -1.823255 3.507047 ESP Fit Center 2342 is at 3.916972 -1.823255 3.507047 ESP Fit Center 2343 is at 4.520354 -1.466800 3.393925 ESP Fit Center 2344 is at 4.411944 -1.062210 3.393925 ESP Fit Center 2345 is at 4.115763 -0.766029 3.393925 ESP Fit Center 2346 is at 3.711173 -0.657619 3.393925 ESP Fit Center 2347 is at 3.306582 -0.766029 3.393925 ESP Fit Center 2348 is at 3.010401 -1.062210 3.393925 ESP Fit Center 2349 is at 2.901991 -1.466800 3.393925 ESP Fit Center 2350 is at 3.010401 -1.871391 3.393925 ESP Fit Center 2351 is at 3.306582 -2.167572 3.393925 ESP Fit Center 2352 is at 3.711173 -2.275982 3.393925 ESP Fit Center 2353 is at 4.115763 -2.167572 3.393925 ESP Fit Center 2354 is at 4.411944 -1.871391 3.393925 ESP Fit Center 2355 is at 4.810751 -1.040821 3.209674 ESP Fit Center 2356 is at 4.582618 -0.672373 3.209674 ESP Fit Center 2357 is at 4.236791 -0.411217 3.209674 ESP Fit Center 2358 is at 3.819976 -0.292623 3.209674 ESP Fit Center 2359 is at 3.388467 -0.332608 3.209674 ESP Fit Center 2360 is at 3.000541 -0.525772 3.209674 ESP Fit Center 2361 is at 2.708590 -0.846027 3.209674 ESP Fit Center 2362 is at 2.552043 -1.250121 3.209674 ESP Fit Center 2363 is at 2.552043 -1.683479 3.209674 ESP Fit Center 2364 is at 2.708590 -2.087573 3.209674 ESP Fit Center 2365 is at 3.000541 -2.407829 3.209674 ESP Fit Center 2366 is at 3.388467 -2.600993 3.209674 ESP Fit Center 2367 is at 3.819976 -2.640978 3.209674 ESP Fit Center 2368 is at 4.236791 -2.522384 3.209674 ESP Fit Center 2369 is at 4.582618 -2.261228 3.209674 ESP Fit Center 2370 is at 4.980690 -0.650931 2.960567 ESP Fit Center 2371 is at 4.699409 -0.326315 2.960567 ESP Fit Center 2372 is at 4.338066 -0.094094 2.960567 ESP Fit Center 2373 is at 3.925937 0.026918 2.960567 ESP Fit Center 2374 is at 3.496408 0.026918 2.960567 ESP Fit Center 2375 is at 3.084279 -0.094094 2.960567 ESP Fit Center 2376 is at 2.722937 -0.326315 2.960567 ESP Fit Center 2377 is at 2.441655 -0.650931 2.960567 ESP Fit Center 2378 is at 2.263223 -1.041644 2.960567 ESP Fit Center 2379 is at 2.202094 -1.466800 2.960567 ESP Fit Center 2380 is at 2.263223 -1.891957 2.960567 ESP Fit Center 2381 is at 2.441655 -2.282670 2.960567 ESP Fit Center 2382 is at 2.722937 -2.607286 2.960567 ESP Fit Center 2383 is at 3.084279 -2.839506 2.960567 ESP Fit Center 2384 is at 3.496408 -2.960518 2.960567 ESP Fit Center 2385 is at 3.925937 -2.960518 2.960567 ESP Fit Center 2386 is at 4.338066 -2.839506 2.960567 ESP Fit Center 2387 is at 5.080522 -0.317780 2.655089 ESP Fit Center 2388 is at 4.778629 -0.032958 2.655089 ESP Fit Center 2389 is at 4.419188 0.174565 2.655089 ESP Fit Center 2390 is at 4.021579 0.293601 2.655089 ESP Fit Center 2391 is at 3.607235 0.317734 2.655089 ESP Fit Center 2392 is at 3.198495 0.245662 2.655089 ESP Fit Center 2393 is at 2.817393 0.081271 2.655089 ESP Fit Center 2394 is at 2.484475 -0.166577 2.655089 ESP Fit Center 2395 is at 2.217689 -0.484521 2.655089 ESP Fit Center 2396 is at 2.031417 -0.855419 2.655089 ESP Fit Center 2397 is at 1.935701 -1.259277 2.655089 ESP Fit Center 2398 is at 1.935701 -1.674323 2.655089 ESP Fit Center 2399 is at 2.031417 -2.078181 2.655089 ESP Fit Center 2400 is at 2.217689 -2.449080 2.655089 ESP Fit Center 2401 is at 2.484475 -2.767023 2.655089 ESP Fit Center 2402 is at 2.817393 -3.014871 2.655089 ESP Fit Center 2403 is at 3.198495 -3.179263 2.655089 ESP Fit Center 2404 is at 3.607235 -3.251335 2.655089 ESP Fit Center 2405 is at 4.021579 -3.227202 2.655089 ESP Fit Center 2406 is at 4.419188 -3.108165 2.655089 ESP Fit Center 2407 is at 5.052890 0.023328 2.303641 ESP Fit Center 2408 is at 4.713755 0.269724 2.303641 ESP Fit Center 2409 is at 4.330803 0.440226 2.303641 ESP Fit Center 2410 is at 3.920770 0.527381 2.303641 ESP Fit Center 2411 is at 3.501576 0.527381 2.303641 ESP Fit Center 2412 is at 3.091542 0.440226 2.303641 ESP Fit Center 2413 is at 2.708590 0.269724 2.303641 ESP Fit Center 2414 is at 2.369455 0.023328 2.303641 ESP Fit Center 2415 is at 2.088959 -0.288193 2.303641 ESP Fit Center 2416 is at 1.879363 -0.651226 2.303641 ESP Fit Center 2417 is at 1.749825 -1.883698 2.303641 ESP Fit Center 2418 is at 1.879363 -2.282375 2.303641 ESP Fit Center 2419 is at 2.088959 -2.645407 2.303641 ESP Fit Center 2420 is at 2.369455 -2.956929 2.303641 ESP Fit Center 2421 is at 2.708590 -3.203325 2.303641 ESP Fit Center 2422 is at 3.091542 -3.373826 2.303641 ESP Fit Center 2423 is at 3.501576 -3.460982 2.303641 ESP Fit Center 2424 is at 3.920770 -3.460982 2.303641 ESP Fit Center 2425 is at 4.330803 -3.373826 2.303641 ESP Fit Center 2426 is at 5.234627 0.056654 1.918192 ESP Fit Center 2427 is at 4.908143 0.324592 1.918192 ESP Fit Center 2428 is at 4.535660 0.523688 1.918192 ESP Fit Center 2429 is at 4.131493 0.646291 1.918192 ESP Fit Center 2430 is at 3.711173 0.687689 1.918192 ESP Fit Center 2431 is at 3.290853 0.646291 1.918192 ESP Fit Center 2432 is at 2.187719 -2.990254 1.918192 ESP Fit Center 2433 is at 2.514202 -3.258193 1.918192 ESP Fit Center 2434 is at 2.886685 -3.457289 1.918192 ESP Fit Center 2435 is at 3.290853 -3.579892 1.918192 ESP Fit Center 2436 is at 3.711173 -3.621290 1.918192 ESP Fit Center 2437 is at 4.131493 -3.579892 1.918192 ESP Fit Center 2438 is at 5.004957 0.350066 1.511868 ESP Fit Center 2439 is at 4.637733 0.562083 1.511868 ESP Fit Center 2440 is at 4.237020 0.700772 1.511868 ESP Fit Center 2441 is at 3.817301 0.761118 1.511868 ESP Fit Center 2442 is at 2.595950 -3.398422 1.511868 ESP Fit Center 2443 is at 2.981666 -3.574572 1.511868 ESP Fit Center 2444 is at 3.393747 -3.674542 1.511868 ESP Fit Center 2445 is at 3.817301 -3.694718 1.511868 ESP Fit Center 2446 is at 4.237020 -3.634372 1.511868 ESP Fit Center 2447 is at 2.981666 -3.574572 1.098506 ESP Fit Center 2448 is at 3.393747 -3.674542 1.098506 ESP Fit Center 2449 is at 3.817301 -3.694718 1.098506 ESP Fit Center 2450 is at 4.237020 -3.634372 1.098506 ESP Fit Center 2451 is at -2.806588 -1.259762 2.360070 ESP Fit Center 2452 is at -2.389833 -1.259762 2.323608 ESP Fit Center 2453 is at -2.598211 -0.898841 2.323608 ESP Fit Center 2454 is at -3.014966 -0.898841 2.323608 ESP Fit Center 2455 is at -3.223344 -1.259762 2.323608 ESP Fit Center 2456 is at -3.014966 -1.620683 2.323608 ESP Fit Center 2457 is at -2.598211 -1.620683 2.323608 ESP Fit Center 2458 is at -1.985740 -1.259762 2.215332 ESP Fit Center 2459 is at -2.095713 -0.849338 2.215332 ESP Fit Center 2460 is at -3.517464 -0.849338 2.215332 ESP Fit Center 2461 is at -3.627437 -1.259762 2.215332 ESP Fit Center 2462 is at -3.517464 -1.670186 2.215332 ESP Fit Center 2463 is at -3.217013 -1.970637 2.215332 ESP Fit Center 2464 is at -2.806588 -2.080610 2.215332 ESP Fit Center 2465 is at -2.396164 -1.970637 2.215332 ESP Fit Center 2466 is at -3.934220 -1.670186 2.038531 ESP Fit Center 2467 is at -3.725842 -2.031107 2.038531 ESP Fit Center 2468 is at -3.406588 -2.298992 2.038531 ESP Fit Center 2469 is at -3.014966 -2.441531 2.038531 ESP Fit Center 2470 is at -4.003271 -2.233335 1.798576 ESP Fit Center 2471 is at -3.696228 -2.520093 1.798576 ESP Fit Center 2472 is at -3.323204 -2.713379 1.798576 ESP Fit Center 2473 is at -4.342638 -2.270038 1.502760 ESP Fit Center 2474 is at -4.068248 -2.597043 1.502760 ESP Fit Center 2475 is at -3.725842 -2.851955 1.502760 ESP Fit Center 2476 is at -4.383638 -2.613614 1.160070 ESP Fit Center 2477 is at -4.078827 -2.903358 1.160070 ESP Fit Center 2478 is at -3.721931 -3.125814 1.160070 ESP Fit Center 2479 is at -4.579344 -2.653873 0.780918 ESP Fit Center 2480 is at -4.283471 -2.964175 0.780918 ESP Fit Center 2481 is at -3.934220 -3.212876 0.780918 ESP Fit Center 2482 is at -4.718731 -2.649015 0.376825 ESP Fit Center 2483 is at -4.439942 -2.968116 0.376825 ESP Fit Center 2484 is at -4.108655 -3.232308 0.376825 ESP Fit Center 2485 is at -4.885049 -2.459762 -0.039930 ESP Fit Center 2486 is at -4.645095 -2.802452 -0.039930 ESP Fit Center 2487 is at -4.349279 -3.098269 -0.039930 ESP Fit Center 2488 is at -4.006588 -3.338223 -0.039930 ESP Fit Center 2489 is at -4.718731 -2.649015 -0.456686 ESP Fit Center 2490 is at -4.439942 -2.968116 -0.456686 ESP Fit Center 2491 is at -4.108655 -3.232308 -0.456686 ESP Fit Center 2492 is at -4.579344 -2.653873 -0.860779 ESP Fit Center 2493 is at -4.283471 -2.964175 -0.860779 ESP Fit Center 2494 is at -3.934220 -3.212876 -0.860779 ESP Fit Center 2495 is at -4.383638 -2.613614 -1.239930 ESP Fit Center 2496 is at -4.078827 -2.903358 -1.239930 ESP Fit Center 2497 is at -3.721931 -3.125814 -1.239930 ESP Fit Center 2498 is at -4.342638 -2.270038 -1.582621 ESP Fit Center 2499 is at -4.068248 -2.597043 -1.582621 ESP Fit Center 2500 is at -3.725842 -2.851955 -1.582621 ESP Fit Center 2501 is at -4.003271 -2.233335 -1.878437 ESP Fit Center 2502 is at -3.696228 -2.520093 -1.878437 ESP Fit Center 2503 is at -3.323204 -2.713379 -1.878437 ESP Fit Center 2504 is at -1.887335 -0.488417 -2.118391 ESP Fit Center 2505 is at -3.934220 -1.670186 -2.118391 ESP Fit Center 2506 is at -3.725842 -2.031107 -2.118391 ESP Fit Center 2507 is at -3.406588 -2.298992 -2.118391 ESP Fit Center 2508 is at -3.014966 -2.441531 -2.118391 ESP Fit Center 2509 is at -2.095713 -0.849338 -2.295193 ESP Fit Center 2510 is at -2.396164 -0.548886 -2.295193 ESP Fit Center 2511 is at -2.806588 -0.438914 -2.295193 ESP Fit Center 2512 is at -3.217013 -0.548886 -2.295193 ESP Fit Center 2513 is at -3.517464 -0.849338 -2.295193 ESP Fit Center 2514 is at -3.627437 -1.259762 -2.295193 ESP Fit Center 2515 is at -3.517464 -1.670186 -2.295193 ESP Fit Center 2516 is at -3.217013 -1.970637 -2.295193 ESP Fit Center 2517 is at -2.806588 -2.080610 -2.295193 ESP Fit Center 2518 is at -2.389833 -1.259762 -2.403469 ESP Fit Center 2519 is at -2.598211 -0.898841 -2.403469 ESP Fit Center 2520 is at -3.014966 -0.898841 -2.403469 ESP Fit Center 2521 is at -3.223344 -1.259762 -2.403469 ESP Fit Center 2522 is at -3.014966 -1.620683 -2.403469 ESP Fit Center 2523 is at -2.598211 -1.620683 -2.403469 ESP Fit Center 2524 is at -2.806588 -1.259762 -2.439930 ESP Fit Center 2525 is at -1.579750 -2.008101 2.343417 ESP Fit Center 2526 is at -1.162994 -2.008101 2.306955 ESP Fit Center 2527 is at -1.371372 -1.647180 2.306955 ESP Fit Center 2528 is at -1.788128 -1.647180 2.306955 ESP Fit Center 2529 is at -1.996506 -2.008101 2.306955 ESP Fit Center 2530 is at -1.788128 -2.369022 2.306955 ESP Fit Center 2531 is at -1.371372 -2.369022 2.306955 ESP Fit Center 2532 is at -1.169326 -1.297225 2.198679 ESP Fit Center 2533 is at -1.579750 -1.187253 2.198679 ESP Fit Center 2534 is at -2.290626 -2.418525 2.198679 ESP Fit Center 2535 is at -0.868875 -2.418525 2.198679 ESP Fit Center 2536 is at -1.169326 -1.297225 -2.311846 ESP Fit Center 2537 is at -1.579750 -1.187253 -2.311846 ESP Fit Center 2538 is at -1.990174 -1.297225 -2.311846 ESP Fit Center 2539 is at -2.400598 -2.008101 -2.311846 ESP Fit Center 2540 is at -2.290626 -2.418525 -2.311846 ESP Fit Center 2541 is at -0.868875 -2.418525 -2.311846 ESP Fit Center 2542 is at -1.162994 -2.008101 -2.420122 ESP Fit Center 2543 is at -1.371372 -1.647180 -2.420122 ESP Fit Center 2544 is at -1.788128 -1.647180 -2.420122 ESP Fit Center 2545 is at -1.996506 -2.008101 -2.420122 ESP Fit Center 2546 is at -1.788128 -2.369022 -2.420122 ESP Fit Center 2547 is at -1.371372 -2.369022 -2.420122 ESP Fit Center 2548 is at -1.579750 -2.008101 -2.456583 ESP Fit Center 2549 is at -0.317583 -1.358453 2.349112 ESP Fit Center 2550 is at 0.099172 -1.358453 2.312651 ESP Fit Center 2551 is at -0.109206 -0.997533 2.312651 ESP Fit Center 2552 is at -0.525961 -0.997533 2.312651 ESP Fit Center 2553 is at -0.734339 -1.358453 2.312651 ESP Fit Center 2554 is at -0.525961 -1.719374 2.312651 ESP Fit Center 2555 is at -0.109206 -1.719374 2.312651 ESP Fit Center 2556 is at 0.393292 -0.948029 2.204375 ESP Fit Center 2557 is at -0.728008 -0.647578 2.204375 ESP Fit Center 2558 is at -1.028459 -0.948029 2.204375 ESP Fit Center 2559 is at -0.728008 -2.069329 2.204375 ESP Fit Center 2560 is at -0.317583 -2.179302 2.204375 ESP Fit Center 2561 is at -1.236837 -0.587108 2.027573 ESP Fit Center 2562 is at -1.236837 -0.587108 -2.129349 ESP Fit Center 2563 is at 0.393292 -0.948029 -2.306150 ESP Fit Center 2564 is at -0.728008 -0.647578 -2.306150 ESP Fit Center 2565 is at -1.028459 -0.948029 -2.306150 ESP Fit Center 2566 is at -0.728008 -2.069329 -2.306150 ESP Fit Center 2567 is at -0.317583 -2.179302 -2.306150 ESP Fit Center 2568 is at 0.099172 -1.358453 -2.414426 ESP Fit Center 2569 is at -0.109206 -0.997533 -2.414426 ESP Fit Center 2570 is at -0.525961 -0.997533 -2.414426 ESP Fit Center 2571 is at -0.734339 -1.358453 -2.414426 ESP Fit Center 2572 is at -0.525961 -1.719374 -2.414426 ESP Fit Center 2573 is at -0.109206 -1.719374 -2.414426 ESP Fit Center 2574 is at -0.317583 -1.358453 -2.450888 ESP Fit Center 2575 is at -0.055592 -0.024132 2.369526 ESP Fit Center 2576 is at 0.361163 -0.024132 2.333065 ESP Fit Center 2577 is at 0.152785 0.336789 2.333065 ESP Fit Center 2578 is at -0.263970 0.336789 2.333065 ESP Fit Center 2579 is at -0.472348 -0.024132 2.333065 ESP Fit Center 2580 is at -0.263970 -0.385053 2.333065 ESP Fit Center 2581 is at 0.152785 -0.385053 2.333065 ESP Fit Center 2582 is at 0.354832 0.686743 2.224788 ESP Fit Center 2583 is at -0.055592 0.796716 2.224788 ESP Fit Center 2584 is at -0.466017 0.686743 2.224788 ESP Fit Center 2585 is at -0.766468 0.386292 2.224788 ESP Fit Center 2586 is at -0.876441 -0.024132 2.224788 ESP Fit Center 2587 is at -0.766468 -0.434556 2.224788 ESP Fit Center 2588 is at 0.354832 -0.735008 2.224788 ESP Fit Center 2589 is at 0.152785 1.157637 2.047987 ESP Fit Center 2590 is at -0.263970 1.157637 2.047987 ESP Fit Center 2591 is at -0.655592 1.015098 2.047987 ESP Fit Center 2592 is at 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0.796716 -2.285736 ESP Fit Center 2611 is at -0.466017 0.686743 -2.285736 ESP Fit Center 2612 is at -0.766468 0.386292 -2.285736 ESP Fit Center 2613 is at -0.876441 -0.024132 -2.285736 ESP Fit Center 2614 is at -0.766468 -0.434556 -2.285736 ESP Fit Center 2615 is at 0.354832 -0.735008 -2.285736 ESP Fit Center 2616 is at 0.361163 -0.024132 -2.394012 ESP Fit Center 2617 is at 0.152785 0.336789 -2.394012 ESP Fit Center 2618 is at -0.263970 0.336789 -2.394012 ESP Fit Center 2619 is at -0.472348 -0.024132 -2.394012 ESP Fit Center 2620 is at -0.263970 -0.385053 -2.394012 ESP Fit Center 2621 is at 0.152785 -0.385053 -2.394012 ESP Fit Center 2622 is at -0.055592 -0.024132 -2.430474 ESP Fit Center 2623 is at 1.208119 0.119107 2.363225 ESP Fit Center 2624 is at 1.624874 0.119107 2.326764 ESP Fit Center 2625 is at 1.416496 0.480028 2.326764 ESP Fit Center 2626 is at 0.999741 0.480028 2.326764 ESP Fit Center 2627 is at 0.791363 0.119107 2.326764 ESP Fit Center 2628 is at 0.999741 -0.241814 2.326764 ESP Fit Center 2629 is at 1.416496 -0.241814 2.326764 ESP Fit Center 2630 is at 2.028967 0.119107 2.218488 ESP Fit Center 2631 is at 0.797694 0.829982 2.218488 ESP Fit Center 2632 is at 0.797694 -0.591769 2.218488 ESP Fit Center 2633 is at 1.208119 -0.701742 2.218488 ESP Fit Center 2634 is at 1.918994 -0.291318 2.218488 ESP Fit Center 2635 is at 1.918994 0.529531 -2.292037 ESP Fit Center 2636 is at 0.797694 0.829982 -2.292037 ESP Fit Center 2637 is at 0.797694 -0.591769 -2.292037 ESP Fit Center 2638 is at 1.624874 0.119107 -2.400313 ESP Fit Center 2639 is at 1.416496 0.480028 -2.400313 ESP Fit Center 2640 is at 0.999741 0.480028 -2.400313 ESP Fit Center 2641 is at 0.791363 0.119107 -2.400313 ESP Fit Center 2642 is at 0.999741 -0.241814 -2.400313 ESP Fit Center 2643 is at 1.416496 -0.241814 -2.400313 ESP Fit Center 2644 is at 1.208119 0.119107 -2.436775 ESP Fit Center 2645 is at 1.620869 -0.769923 2.301514 ESP Fit Center 2646 is at 1.412491 -1.130844 2.301514 ESP Fit Center 2647 is at 1.620869 -1.491765 2.301514 ESP Fit Center 2648 is at 1.008398 -1.130844 2.193238 ESP Fit Center 2649 is at 2.037625 -2.312613 -2.140485 ESP Fit Center 2650 is at 1.829247 -0.309996 -2.317287 ESP Fit Center 2651 is at 1.118371 -0.720420 -2.317287 ESP Fit Center 2652 is at 1.008398 -1.130844 -2.317287 ESP Fit Center 2653 is at 1.829247 -1.951692 -2.317287 ESP Fit Center 2654 is at 2.239671 -1.841719 -2.317287 ESP Fit Center 2655 is at 1.620869 -0.769923 -2.425563 ESP Fit Center 2656 is at 1.412491 -1.130844 -2.425563 ESP Fit Center 2657 is at 1.620869 -1.491765 -2.425563 ESP Fit Center 2658 is at 2.037625 -1.491765 -2.425563 ESP Fit Center 2659 is at 1.829247 -1.130844 -2.462025 ESP Fit Center 2660 is at 0.791273 -2.023188 2.325282 ESP Fit Center 2661 is at 1.208028 -2.023188 2.288821 ESP Fit Center 2662 is at 0.999650 -1.662267 2.288821 ESP Fit Center 2663 is at 0.582895 -1.662267 2.288821 ESP Fit Center 2664 is at 0.374517 -2.023188 2.288821 ESP Fit Center 2665 is at 0.582895 -2.384109 2.288821 ESP Fit Center 2666 is at 0.999650 -2.384109 2.288821 ESP Fit Center 2667 is at 1.612121 -2.023188 2.180545 ESP Fit Center 2668 is at 0.791273 -1.202340 2.180545 ESP Fit Center 2669 is at 0.080397 -2.433613 2.180545 ESP Fit Center 2670 is at 0.380848 -2.734064 2.180545 ESP Fit Center 2671 is at 1.201697 -2.734064 2.180545 ESP Fit Center 2672 is at 1.502148 -2.433613 2.180545 ESP Fit Center 2673 is at 1.918904 -2.433613 -2.153179 ESP Fit Center 2674 is at 1.612121 -2.023188 -2.329980 ESP Fit Center 2675 is at 0.791273 -1.202340 -2.329980 ESP Fit Center 2676 is at 0.080397 -2.433613 -2.329980 ESP Fit Center 2677 is at 1.502148 -2.433613 -2.329980 ESP Fit Center 2678 is at 1.208028 -2.023188 -2.438256 ESP Fit Center 2679 is at 0.999650 -1.662267 -2.438256 ESP Fit Center 2680 is at 0.582895 -1.662267 -2.438256 ESP Fit Center 2681 is at 0.374517 -2.023188 -2.438256 ESP Fit Center 2682 is at 0.582895 -2.384109 -2.438256 ESP Fit Center 2683 is at 0.999650 -2.384109 -2.438256 ESP Fit Center 2684 is at 0.791273 -2.023188 -2.474718 ESP Fit Center 2685 is at 0.807593 -3.383543 2.295636 ESP Fit Center 2686 is at 1.224348 -3.383543 2.259175 ESP Fit Center 2687 is at 1.015970 -3.022622 2.259175 ESP Fit Center 2688 is at 0.599215 -3.022622 2.259175 ESP Fit Center 2689 is at 0.390837 -3.383543 2.259175 ESP Fit Center 2690 is at 0.599215 -3.744464 2.259175 ESP Fit Center 2691 is at 1.015970 -3.744464 2.259175 ESP Fit Center 2692 is at 1.628441 -3.383543 2.150898 ESP Fit Center 2693 is at 1.518468 -2.973118 2.150898 ESP Fit Center 2694 is at 0.096717 -2.973118 2.150898 ESP Fit Center 2695 is at 0.807593 -4.204391 2.150898 ESP Fit Center 2696 is at 1.218017 -4.094418 2.150898 ESP Fit Center 2697 is at 1.518468 -3.793967 2.150898 ESP Fit Center 2698 is at 2.007593 -3.383543 1.974097 ESP Fit Center 2699 is at 1.935224 -2.973118 1.974097 ESP Fit Center 2700 is at 1.015970 -4.565312 1.974097 ESP Fit Center 2701 is at 1.407593 -4.422773 1.974097 ESP Fit Center 2702 is at 1.726846 -4.154888 1.974097 ESP Fit Center 2703 is at 1.935224 -3.793967 1.974097 ESP Fit Center 2704 is at 2.350283 -3.383543 1.734143 ESP Fit Center 2705 is at 1.121462 -4.893966 1.734143 ESP Fit Center 2706 is at 1.517330 -4.753274 1.734143 ESP Fit Center 2707 is at 1.860561 -4.510996 1.734143 ESP Fit Center 2708 is at 2.125697 -4.185100 1.734143 ESP Fit Center 2709 is at 2.293076 -3.799755 1.734143 ESP Fit Center 2710 is at 1.126846 -5.194118 1.438326 ESP Fit Center 2711 is at 1.535788 -5.071689 1.438326 ESP Fit Center 2712 is at 1.905473 -4.858251 1.438326 ESP Fit Center 2713 is at 2.215970 -4.565312 1.438326 ESP Fit Center 2714 is at 2.450542 -4.208663 1.438326 ESP Fit Center 2715 is at 2.596542 -3.807531 1.438326 ESP Fit Center 2716 is at 1.529453 -5.332624 1.095636 ESP Fit Center 2717 is at 1.907024 -5.147417 1.095636 ESP Fit Center 2718 is at 2.239583 -4.889996 1.095636 ESP Fit Center 2719 is at 2.513517 -4.570901 1.095636 ESP Fit Center 2720 is at 2.717611 -4.203196 1.095636 ESP Fit Center 2721 is at 2.843507 -3.801934 1.095636 ESP Fit Center 2722 is at 1.339291 -5.575233 0.716484 ESP Fit Center 2723 is at 1.744462 -5.435001 0.716484 ESP Fit Center 2724 is at 2.115773 -5.220625 0.716484 ESP Fit Center 2725 is at 2.439803 -4.939852 0.716484 ESP Fit Center 2726 is at 2.704840 -4.602829 0.716484 ESP Fit Center 2727 is at 2.901306 -4.221739 0.716484 ESP Fit Center 2728 is at 1.537966 -5.631401 0.312392 ESP Fit Center 2729 is at 1.927600 -5.464864 0.312392 ESP Fit Center 2730 is at 2.281235 -5.231431 0.312392 ESP Fit Center 2731 is at 2.587506 -4.938606 0.312392 ESP Fit Center 2732 is at 2.836570 -4.595800 0.312392 ESP Fit Center 2733 is at 3.020420 -4.214031 0.312392 ESP Fit Center 2734 is at 1.628441 -5.638805 -0.104364 ESP Fit Center 2735 is at 2.007593 -5.462004 -0.104364 ESP Fit Center 2736 is at 2.350283 -5.222049 -0.104364 ESP Fit Center 2737 is at 2.646099 -4.926233 -0.104364 ESP Fit Center 2738 is at 2.886054 -4.583543 -0.104364 ESP Fit Center 2739 is at 1.537966 -5.631401 -0.521120 ESP Fit Center 2740 is at 1.927600 -5.464864 -0.521120 ESP Fit Center 2741 is at 2.281235 -5.231431 -0.521120 ESP Fit Center 2742 is at 2.587506 -4.938606 -0.521120 ESP Fit Center 2743 is at 2.836570 -4.595800 -0.521120 ESP Fit Center 2744 is at 1.744462 -5.435001 -0.925212 ESP Fit Center 2745 is at 2.115773 -5.220625 -0.925212 ESP Fit Center 2746 is at 2.439803 -4.939852 -0.925212 ESP Fit Center 2747 is at 2.704840 -4.602829 -0.925212 ESP Fit Center 2748 is at 1.529453 -5.332624 -1.304364 ESP Fit Center 2749 is at 1.907024 -5.147417 -1.304364 ESP Fit Center 2750 is at 2.239583 -4.889996 -1.304364 ESP Fit Center 2751 is at 2.513517 -4.570901 -1.304364 ESP Fit Center 2752 is at 2.717611 -4.203196 -1.304364 ESP Fit Center 2753 is at 1.126846 -5.194118 -1.647054 ESP Fit Center 2754 is at 1.535788 -5.071689 -1.647054 ESP Fit Center 2755 is at 1.905473 -4.858251 -1.647054 ESP Fit Center 2756 is at 2.215970 -4.565312 -1.647054 ESP Fit Center 2757 is at 2.450542 -4.208663 -1.647054 ESP Fit Center 2758 is at 2.596542 -3.807531 -1.647054 ESP Fit Center 2759 is at 2.350283 -3.383543 -1.942871 ESP Fit Center 2760 is at 1.121462 -4.893966 -1.942871 ESP Fit Center 2761 is at 1.517330 -4.753274 -1.942871 ESP Fit Center 2762 is at 1.860561 -4.510996 -1.942871 ESP Fit Center 2763 is at 2.125697 -4.185100 -1.942871 ESP Fit Center 2764 is at 2.293076 -3.799755 -1.942871 ESP Fit Center 2765 is at 2.007593 -3.383543 -2.182825 ESP Fit Center 2766 is at 1.935224 -2.973118 -2.182825 ESP Fit Center 2767 is at 1.015970 -4.565312 -2.182825 ESP Fit Center 2768 is at 1.407593 -4.422773 -2.182825 ESP Fit Center 2769 is at 1.726846 -4.154888 -2.182825 ESP Fit Center 2770 is at 1.935224 -3.793967 -2.182825 ESP Fit Center 2771 is at 1.628441 -3.383543 -2.359626 ESP Fit Center 2772 is at 1.518468 -2.973118 -2.359626 ESP Fit Center 2773 is at 1.218017 -2.672667 -2.359626 ESP Fit Center 2774 is at 0.397168 -2.672667 -2.359626 ESP Fit Center 2775 is at 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-3.188316 2.140983 ESP Fit Center 2794 is at -1.029413 -4.419589 2.140983 ESP Fit Center 2795 is at -0.728962 -4.720040 2.140983 ESP Fit Center 2796 is at -0.318537 -4.830013 2.140983 ESP Fit Center 2797 is at 0.091887 -4.720040 2.140983 ESP Fit Center 2798 is at 0.392338 -4.419589 2.140983 ESP Fit Center 2799 is at -1.237791 -4.780510 1.964182 ESP Fit Center 2800 is at -0.918537 -5.048395 1.964182 ESP Fit Center 2801 is at -0.526915 -5.190934 1.964182 ESP Fit Center 2802 is at -0.110160 -5.190934 1.964182 ESP Fit Center 2803 is at 0.281463 -5.048395 1.964182 ESP Fit Center 2804 is at 0.600716 -4.780510 1.964182 ESP Fit Center 2805 is at -1.515220 -4.982738 1.724227 ESP Fit Center 2806 is at -1.208176 -5.269496 1.724227 ESP Fit Center 2807 is at -0.835153 -5.462781 1.724227 ESP Fit Center 2808 is at -0.004668 -5.519588 1.724227 ESP Fit Center 2809 is at 0.391200 -5.378896 1.724227 ESP Fit Center 2810 is at 0.734431 -5.136618 1.724227 ESP Fit Center 2811 is at -1.580197 -5.346446 1.428411 ESP Fit Center 2812 is at 0.779343 -5.483873 1.428411 ESP Fit Center 2813 is at -1.895587 -5.363017 1.085721 ESP Fit Center 2814 is at 1.113453 -5.515618 1.085721 ESP Fit Center 2815 is at -1.895587 -5.363017 -1.314279 ESP Fit Center 2816 is at -1.580197 -5.346446 -1.656970 ESP Fit Center 2817 is at 0.779343 -5.483873 -1.656970 ESP Fit Center 2818 is at -1.515220 -4.982738 -1.952786 ESP Fit Center 2819 is at -1.208176 -5.269496 -1.952786 ESP Fit Center 2820 is at -0.835153 -5.462781 -1.952786 ESP Fit Center 2821 is at 0.391200 -5.378896 -1.952786 ESP Fit Center 2822 is at 0.734431 -5.136618 -1.952786 ESP Fit Center 2823 is at -1.237791 -4.780510 -2.192740 ESP Fit Center 2824 is at -0.918537 -5.048395 -2.192740 ESP Fit Center 2825 is at -0.526915 -5.190934 -2.192740 ESP Fit Center 2826 is at -0.110160 -5.190934 -2.192740 ESP Fit Center 2827 is at 0.281463 -5.048395 -2.192740 ESP Fit Center 2828 is at 0.600716 -4.780510 -2.192740 ESP Fit Center 2829 is at -0.318537 -3.188316 -2.369542 ESP Fit Center 2830 is at -0.728962 -3.298289 -2.369542 ESP Fit Center 2831 is at -1.139386 -4.009165 -2.369542 ESP Fit Center 2832 is at -1.029413 -4.419589 -2.369542 ESP Fit Center 2833 is at -0.728962 -4.720040 -2.369542 ESP Fit Center 2834 is at -0.318537 -4.830013 -2.369542 ESP Fit Center 2835 is at 0.091887 -4.720040 -2.369542 ESP Fit Center 2836 is at 0.392338 -4.419589 -2.369542 ESP Fit Center 2837 is at 0.098218 -4.009165 -2.477818 ESP Fit Center 2838 is at -0.110160 -3.648244 -2.477818 ESP Fit Center 2839 is at -0.526915 -3.648244 -2.477818 ESP Fit Center 2840 is at -0.735293 -4.009165 -2.477818 ESP Fit Center 2841 is at -0.526915 -4.370086 -2.477818 ESP Fit Center 2842 is at -0.110160 -4.370086 -2.477818 ESP Fit Center 2843 is at -0.318537 -4.009165 -2.514279 ESP Fit Center 2844 is at -1.579498 -3.284808 2.304719 ESP Fit Center 2845 is at -1.162743 -3.284808 2.268258 ESP Fit Center 2846 is at -1.371120 -2.923887 2.268258 ESP Fit Center 2847 is at -1.787876 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1.743226 ESP Fit Center 2866 is at -3.107820 -3.494871 1.743226 ESP Fit Center 2867 is at -2.994471 -3.899417 1.743226 ESP Fit Center 2868 is at -2.776181 -4.258381 1.743226 ESP Fit Center 2869 is at -2.469137 -4.545139 1.743226 ESP Fit Center 2870 is at -2.096114 -4.738425 1.743226 ESP Fit Center 2871 is at -1.684775 -4.823902 1.743226 ESP Fit Center 2872 is at -3.405574 -3.071370 1.447409 ESP Fit Center 2873 is at -3.405574 -3.498245 1.447409 ESP Fit Center 2874 is at -3.307129 -3.913614 1.447409 ESP Fit Center 2875 is at -3.115548 -4.295084 1.447409 ESP Fit Center 2876 is at -2.841158 -4.622089 1.447409 ESP Fit Center 2877 is at -2.498752 -4.877001 1.447409 ESP Fit Center 2878 is at -2.106788 -5.046078 1.447409 ESP Fit Center 2879 is at -3.647295 -3.495082 1.104719 ESP Fit Center 2880 is at -3.562639 -3.907022 1.104719 ESP Fit Center 2881 is at -3.396794 -4.293489 1.104719 ESP Fit Center 2882 is at -3.156547 -4.638660 1.104719 ESP Fit Center 2883 is at -2.851737 -4.928404 1.104719 ESP Fit Center 2884 is at -2.494840 -5.150860 1.104719 ESP Fit Center 2885 is at -2.100470 -5.296918 1.104719 ESP Fit Center 2886 is at -3.824549 -3.499184 0.725568 ESP Fit Center 2887 is at -3.743407 -3.920189 0.725568 ESP Fit Center 2888 is at -3.584055 -4.318229 0.725568 ESP Fit Center 2889 is at -3.352254 -4.678919 0.725568 ESP Fit Center 2890 is at -3.056381 -4.989221 0.725568 ESP Fit Center 2891 is at -2.707129 -5.237922 0.725568 ESP Fit Center 2892 is at -2.317122 -5.416033 0.725568 ESP Fit Center 2893 is at -3.933522 -3.496674 0.321475 ESP Fit Center 2894 is at -3.857862 -3.913596 0.321475 ESP Fit Center 2895 is at -3.708973 -4.310309 0.321475 ESP Fit Center 2896 is at -3.491641 -4.674061 0.321475 ESP Fit Center 2897 is at -3.212852 -4.993161 0.321475 ESP Fit Center 2898 is at -2.881565 -5.257354 0.321475 ESP Fit Center 2899 is at -2.508428 -5.458147 0.321475 ESP Fit Center 2900 is at -3.943037 -3.701564 -0.095281 ESP Fit Center 2901 is at -3.834761 -4.105656 -0.095281 ESP Fit Center 2902 is at -3.657959 -4.484808 -0.095281 ESP Fit Center 2903 is at -3.418005 -4.827498 -0.095281 ESP Fit Center 2904 is at -3.122189 -5.123315 -0.095281 ESP Fit Center 2905 is at -2.779498 -5.363269 -0.095281 ESP Fit Center 2906 is at -2.400347 -5.540070 -0.095281 ESP Fit Center 2907 is at -3.933522 -3.496674 -0.512036 ESP Fit Center 2908 is at -3.857862 -3.913596 -0.512036 ESP Fit Center 2909 is at -3.708973 -4.310309 -0.512036 ESP Fit Center 2910 is at -3.491641 -4.674061 -0.512036 ESP Fit Center 2911 is at -3.212852 -4.993161 -0.512036 ESP Fit Center 2912 is at -2.881565 -5.257354 -0.512036 ESP Fit Center 2913 is at -2.508428 -5.458147 -0.512036 ESP Fit Center 2914 is at -3.824549 -3.499184 -0.916129 ESP Fit Center 2915 is at -3.743407 -3.920189 -0.916129 ESP Fit Center 2916 is at -3.584055 -4.318229 -0.916129 ESP Fit Center 2917 is at -3.352254 -4.678919 -0.916129 ESP Fit Center 2918 is at -3.056381 -4.989221 -0.916129 ESP Fit Center 2919 is at -2.707129 -5.237922 -0.916129 ESP Fit Center 2920 is at -2.317122 -5.416033 -0.916129 ESP Fit Center 2921 is at -3.647295 -3.495082 -1.295281 ESP Fit Center 2922 is at -3.562639 -3.907022 -1.295281 ESP Fit Center 2923 is at -3.396794 -4.293489 -1.295281 ESP Fit Center 2924 is at -3.156547 -4.638660 -1.295281 ESP Fit Center 2925 is at -2.851737 -4.928404 -1.295281 ESP Fit Center 2926 is at -2.494840 -5.150860 -1.295281 ESP Fit Center 2927 is at -2.100470 -5.296918 -1.295281 ESP Fit Center 2928 is at -3.405574 -3.071370 -1.637971 ESP Fit Center 2929 is at -3.405574 -3.498245 -1.637971 ESP Fit Center 2930 is at -3.307129 -3.913614 -1.637971 ESP Fit Center 2931 is at -3.115548 -4.295084 -1.637971 ESP Fit Center 2932 is at -2.841158 -4.622089 -1.637971 ESP Fit Center 2933 is at -2.498752 -4.877001 -1.637971 ESP Fit Center 2934 is at -2.106788 -5.046078 -1.637971 ESP Fit Center 2935 is at -3.107820 -3.074745 -1.933787 ESP Fit Center 2936 is at -3.107820 -3.494871 -1.933787 ESP Fit Center 2937 is at -2.994471 -3.899417 -1.933787 ESP Fit Center 2938 is at -2.776181 -4.258381 -1.933787 ESP Fit Center 2939 is at -2.469137 -4.545139 -1.933787 ESP Fit Center 2940 is at -2.096114 -4.738425 -1.933787 ESP Fit Center 2941 is at -1.684775 -4.823902 -1.933787 ESP Fit Center 2942 is at -2.707129 -2.874384 -2.173742 ESP Fit Center 2943 is at -2.779498 -3.284808 -2.173742 ESP Fit Center 2944 is at -2.707129 -3.695232 -2.173742 ESP Fit Center 2945 is at -2.498752 -4.056153 -2.173742 ESP Fit Center 2946 is at -2.179498 -4.324038 -2.173742 ESP Fit Center 2947 is at -1.787876 -4.466577 -2.173742 ESP Fit Center 2948 is at -0.868623 -2.874384 -2.350543 ESP Fit Center 2949 is at -2.290374 -2.874384 -2.350543 ESP Fit Center 2950 is at -2.400347 -3.284808 -2.350543 ESP Fit Center 2951 is at -2.290374 -3.695232 -2.350543 ESP Fit Center 2952 is at -1.989922 -3.995683 -2.350543 ESP Fit Center 2953 is at -1.579498 -4.105656 -2.350543 ESP Fit Center 2954 is at -1.162743 -3.284808 -2.458819 ESP Fit Center 2955 is at -1.371120 -2.923887 -2.458819 ESP Fit Center 2956 is at -1.787876 -2.923887 -2.458819 ESP Fit Center 2957 is at -1.996254 -3.284808 -2.458819 ESP Fit Center 2958 is at -1.787876 -3.645729 -2.458819 ESP Fit Center 2959 is at -1.371120 -3.645729 -2.458819 ESP Fit Center 2960 is at -1.579498 -3.284808 -2.495281 ESP Fit Center 2961 is at 3.171435 -3.666958 1.035493 ESP Fit Center 2962 is at 3.165679 -3.973882 0.731477 ESP Fit Center 2963 is at 3.592941 -3.973882 0.731477 ESP Fit Center 2964 is at 4.002896 -3.853508 0.731477 ESP Fit Center 2965 is at 4.362332 -3.622513 0.731477 ESP Fit Center 2966 is at 3.170798 -4.205292 0.367433 ESP Fit Center 2967 is at 3.587821 -4.205292 0.367433 ESP Fit Center 2968 is at 3.992727 -4.105492 0.367433 ESP Fit Center 2969 is at 4.361982 -3.911692 0.367433 ESP Fit Center 2970 is at 4.674129 -3.635154 0.367433 ESP Fit Center 2971 is at 3.379310 -4.359906 -0.038384 ESP Fit Center 2972 is at 3.795838 -4.312975 -0.038384 ESP Fit Center 2973 is at 4.191480 -4.174534 -0.038384 ESP Fit Center 2974 is at 4.546396 -3.951525 -0.038384 ESP Fit Center 2975 is at 4.842790 -3.655131 -0.038384 ESP Fit Center 2976 is at 5.065799 -3.300215 -0.038384 ESP Fit Center 2977 is at 3.068688 -4.382751 -0.465624 ESP Fit Center 2978 is at 3.483256 -4.405229 -0.465624 ESP Fit Center 2979 is at 3.892964 -4.338061 -0.465624 ESP Fit Center 2980 is at 4.278654 -4.184388 -0.465624 ESP Fit Center 2981 is at 4.622291 -3.951396 -0.465624 ESP Fit Center 2982 is at 4.907808 -3.649979 -0.465624 ESP Fit Center 2983 is at 5.121854 -3.294232 -0.465624 ESP Fit Center 2984 is at 5.254421 -2.900788 -0.465624 ESP Fit Center 2985 is at 2.962781 -4.312975 -0.892864 ESP Fit Center 2986 is at 3.379310 -4.359906 -0.892864 ESP Fit Center 2987 is at 3.795838 -4.312975 -0.892864 ESP Fit Center 2988 is at 4.191480 -4.174534 -0.892864 ESP Fit Center 2989 is at 4.546396 -3.951525 -0.892864 ESP Fit Center 2990 is at 4.842790 -3.655131 -0.892864 ESP Fit Center 2991 is at 5.065799 -3.300215 -0.892864 ESP Fit Center 2992 is at 5.204240 -2.904573 -0.892864 ESP Fit Center 2993 is at 2.765893 -4.105492 -1.298681 ESP Fit Center 2994 is at 3.170798 -4.205292 -1.298681 ESP Fit Center 2995 is at 3.587821 -4.205292 -1.298681 ESP Fit Center 2996 is at 3.992727 -4.105492 -1.298681 ESP Fit Center 2997 is at 4.361982 -3.911692 -1.298681 ESP Fit Center 2998 is at 4.674129 -3.635154 -1.298681 ESP Fit Center 2999 is at 4.911025 -3.291951 -1.298681 ESP Fit Center 3000 is at 5.058903 -2.902027 -1.298681 ESP Fit Center 3001 is at 2.755723 -3.853508 -1.662724 ESP Fit Center 3002 is at 3.165679 -3.973882 -1.662724 ESP Fit Center 3003 is at 3.592941 -3.973882 -1.662724 ESP Fit Center 3004 is at 4.002896 -3.853508 -1.662724 ESP Fit Center 3005 is at 4.362332 -3.622513 -1.662724 ESP Fit Center 3006 is at 4.642129 -3.299609 -1.662724 ESP Fit Center 3007 is at 4.819620 -2.910958 -1.662724 ESP Fit Center 3008 is at 2.254403 -2.897477 -1.966740 ESP Fit Center 3009 is at 2.462278 -3.257526 -1.966740 ESP Fit Center 3010 is at 2.780759 -3.524764 -1.966740 ESP Fit Center 3011 is at 3.171435 -3.666958 -1.966740 ESP Fit Center 3012 is at 3.587184 -3.666958 -1.966740 ESP Fit Center 3013 is at 3.977860 -3.524764 -1.966740 ESP Fit Center 3014 is at 4.296342 -3.257526 -1.966740 ESP Fit Center 3015 is at 4.504216 -2.897477 -1.966740 ESP Fit Center 3016 is at 4.212366 -2.488045 -2.195484 ESP Fit Center 3017 is at 2.546253 -2.488045 -2.195484 ESP Fit Center 3018 is at 2.657861 -2.904573 -2.195484 ESP Fit Center 3019 is at 2.962781 -3.209493 -2.195484 ESP Fit Center 3020 is at 3.379310 -3.321101 -2.195484 ESP Fit Center 3021 is at 3.795838 -3.209493 -2.195484 ESP Fit Center 3022 is at 4.100758 -2.904573 -2.195484 ESP Fit Center 3023 is at 3.806550 -2.488045 -2.337485 ESP Fit Center 3024 is at 2.952069 -2.488045 -2.337485 ESP Fit Center 3025 is at 3.165690 -2.858045 -2.337485 ESP Fit Center 3026 is at 3.592930 -2.858045 -2.337485 ESP Fit Center 3027 is at 3.379310 -2.488045 -2.385624 ESP Fit Center 3028 is at 6.348147 -0.743531 0.673372 ESP Fit Center 3029 is at 6.275953 -0.334099 0.673372 ESP Fit Center 3030 is at 6.068078 0.025950 0.673372 ESP Fit Center 3031 is at 6.652163 -0.743531 0.369356 ESP Fit Center 3032 is at 6.591357 -0.320618 0.369356 ESP Fit Center 3033 is at 6.413866 0.068034 0.369356 ESP Fit Center 3034 is at 6.134068 0.390937 0.369356 ESP Fit Center 3035 is at 6.413866 -1.555096 0.369356 ESP Fit Center 3036 is at 6.591357 -1.166444 0.369356 ESP Fit Center 3037 is at 6.880906 -0.743531 0.005312 ESP Fit Center 3038 is at 6.830640 -0.329548 0.005312 ESP Fit Center 3039 is at 6.682761 0.060375 0.005312 ESP Fit Center 3040 is at 6.445865 0.403579 0.005312 ESP Fit Center 3041 is at 6.133719 0.680116 0.005312 ESP Fit Center 3042 is at 6.133719 -2.167178 0.005312 ESP Fit Center 3043 is at 6.445865 -1.890641 0.005312 ESP Fit Center 3044 is at 6.682761 -1.547437 0.005312 ESP Fit Center 3045 is at 6.830640 -1.157514 0.005312 ESP Fit Center 3046 is at 7.022908 -0.743531 -0.400505 ESP Fit Center 3047 is at 6.975976 -0.327003 -0.400505 ESP Fit Center 3048 is at 6.837535 0.068639 -0.400505 ESP Fit Center 3049 is at 6.614526 0.423556 -0.400505 ESP Fit Center 3050 is at 6.318133 0.719949 -0.400505 ESP Fit Center 3051 is at 5.567574 -2.568461 -0.400505 ESP Fit Center 3052 is at 5.963216 -2.430020 -0.400505 ESP Fit Center 3053 is at 6.318133 -2.207011 -0.400505 ESP Fit Center 3054 is at 6.614526 -1.910618 -0.400505 ESP Fit Center 3055 is at 6.837535 -1.555701 -0.400505 ESP Fit Center 3056 is at 6.975976 -1.160059 -0.400505 ESP Fit Center 3057 is at 7.071046 -0.743531 -0.827745 ESP Fit Center 3058 is at 7.026158 -0.330788 -0.827745 ESP Fit Center 3059 is at 6.893591 0.062656 -0.827745 ESP Fit Center 3060 is at 6.679545 0.418403 -0.827745 ESP Fit Center 3061 is at 6.394028 0.719820 -0.827745 ESP Fit Center 3062 is at 6.050390 0.952812 -0.827745 ESP Fit Center 3063 is at 5.664700 -2.593547 -0.827745 ESP Fit Center 3064 is at 6.050390 -2.439874 -0.827745 ESP Fit Center 3065 is at 6.394028 -2.206882 -0.827745 ESP Fit Center 3066 is at 6.679545 -1.905465 -0.827745 ESP Fit Center 3067 is at 6.893591 -1.549718 -0.827745 ESP Fit Center 3068 is at 7.026158 -1.156274 -0.827745 ESP Fit Center 3069 is at 7.022908 -0.743531 -1.254985 ESP Fit Center 3070 is at 6.975976 -0.327003 -1.254985 ESP Fit Center 3071 is at 6.837535 0.068639 -1.254985 ESP Fit Center 3072 is at 6.614526 0.423556 -1.254985 ESP Fit Center 3073 is at 6.318133 0.719949 -1.254985 ESP Fit Center 3074 is at 5.151046 -2.615393 -1.254985 ESP Fit Center 3075 is at 5.567574 -2.568461 -1.254985 ESP Fit Center 3076 is at 5.963216 -2.430020 -1.254985 ESP Fit Center 3077 is at 6.318133 -2.207011 -1.254985 ESP Fit Center 3078 is at 6.614526 -1.910618 -1.254985 ESP Fit Center 3079 is at 6.837535 -1.555701 -1.254985 ESP Fit Center 3080 is at 6.975976 -1.160059 -1.254985 ESP Fit Center 3081 is at 6.880906 -0.743531 -1.660802 ESP Fit Center 3082 is at 6.830640 -0.329548 -1.660802 ESP Fit Center 3083 is at 6.682761 0.060375 -1.660802 ESP Fit Center 3084 is at 6.445865 0.403579 -1.660802 ESP Fit Center 3085 is at 6.133719 0.680116 -1.660802 ESP Fit Center 3086 is at 5.359558 -2.460779 -1.660802 ESP Fit Center 3087 is at 5.764463 -2.360978 -1.660802 ESP Fit Center 3088 is at 6.133719 -2.167178 -1.660802 ESP Fit Center 3089 is at 6.445865 -1.890641 -1.660802 ESP Fit Center 3090 is at 6.682761 -1.547437 -1.660802 ESP Fit Center 3091 is at 6.830640 -1.157514 -1.660802 ESP Fit Center 3092 is at 6.652163 -0.743531 -2.024845 ESP Fit Center 3093 is at 6.591357 -0.320618 -2.024845 ESP Fit Center 3094 is at 6.413866 0.068034 -2.024845 ESP Fit Center 3095 is at 6.134068 0.390937 -2.024845 ESP Fit Center 3096 is at 5.364677 -2.229368 -2.024845 ESP Fit Center 3097 is at 5.774632 -2.108995 -2.024845 ESP Fit Center 3098 is at 6.134068 -1.877999 -2.024845 ESP Fit Center 3099 is at 6.413866 -1.555096 -2.024845 ESP Fit Center 3100 is at 6.591357 -1.166444 -2.024845 ESP Fit Center 3101 is at 6.348147 -0.743531 -2.328861 ESP Fit Center 3102 is at 6.275953 -0.334099 -2.328861 ESP Fit Center 3103 is at 6.068078 0.025950 -2.328861 ESP Fit Center 3104 is at 5.358920 -1.922445 -2.328861 ESP Fit Center 3105 is at 5.749596 -1.780250 -2.328861 ESP Fit Center 3106 is at 6.068078 -1.513012 -2.328861 ESP Fit Center 3107 is at 6.275953 -1.152963 -2.328861 ESP Fit Center 3108 is at 5.984103 -0.743531 -2.557605 ESP Fit Center 3109 is at 5.872494 -0.327003 -2.557605 ESP Fit Center 3110 is at 5.567574 -1.464979 -2.557605 ESP Fit Center 3111 is at 5.872494 -1.160059 -2.557605 ESP Fit Center 3112 is at 3.750886 1.442441 -2.335213 ESP Fit Center 3113 is at 3.334358 1.395510 -2.335213 ESP Fit Center 3114 is at 2.938716 1.257069 -2.335213 ESP Fit Center 3115 is at 2.583800 1.034060 -2.335213 ESP Fit Center 3116 is at 2.287406 0.737666 -2.335213 ESP Fit Center 3117 is at 2.064397 0.382750 -2.335213 ESP Fit Center 3118 is at 1.925956 -0.012892 -2.335213 ESP Fit Center 3119 is at 2.583800 -1.892900 -2.335213 ESP Fit Center 3120 is at 5.045705 0.717689 -2.741029 ESP Fit Center 3121 is at 4.733559 0.994227 -2.741029 ESP Fit Center 3122 is at 4.364303 1.188027 -2.741029 ESP Fit Center 3123 is at 3.959398 1.287827 -2.741029 ESP Fit Center 3124 is at 3.542375 1.287827 -2.741029 ESP Fit Center 3125 is at 3.137470 1.188027 -2.741029 ESP Fit Center 3126 is at 2.768214 0.994227 -2.741029 ESP Fit Center 3127 is at 2.456067 0.717689 -2.741029 ESP Fit Center 3128 is at 2.219171 0.374486 -2.741029 ESP Fit Center 3129 is at 2.071293 -0.015437 -2.741029 ESP Fit Center 3130 is at 2.021026 -0.429420 -2.741029 ESP Fit Center 3131 is at 2.071293 -0.843403 -2.741029 ESP Fit Center 3132 is at 2.219171 -1.233326 -2.741029 ESP Fit Center 3133 is at 2.456067 -1.576530 -2.741029 ESP Fit Center 3134 is at 2.768214 -1.853067 -2.741029 ESP Fit Center 3135 is at 3.137470 -2.046868 -2.741029 ESP Fit Center 3136 is at 3.542375 -2.146668 -2.741029 ESP Fit Center 3137 is at 3.959398 -2.146668 -2.741029 ESP Fit Center 3138 is at 4.364303 -2.046868 -2.741029 ESP Fit Center 3139 is at 4.733559 -1.853067 -2.741029 ESP Fit Center 3140 is at 5.252003 -0.429420 -3.105073 ESP Fit Center 3141 is at 5.191197 -0.006507 -3.105073 ESP Fit Center 3142 is at 5.013706 0.382145 -3.105073 ESP Fit Center 3143 is at 4.733909 0.705048 -3.105073 ESP Fit Center 3144 is at 4.374473 0.936043 -3.105073 ESP Fit Center 3145 is at 3.964518 1.056417 -3.105073 ESP Fit Center 3146 is at 3.537255 1.056417 -3.105073 ESP Fit Center 3147 is at 3.127300 0.936043 -3.105073 ESP Fit Center 3148 is at 2.767864 0.705048 -3.105073 ESP Fit Center 3149 is at 2.488067 0.382145 -3.105073 ESP Fit Center 3150 is at 2.310576 -0.006507 -3.105073 ESP Fit Center 3151 is at 2.249770 -0.429420 -3.105073 ESP Fit Center 3152 is at 2.310576 -0.852334 -3.105073 ESP Fit Center 3153 is at 2.488067 -1.240985 -3.105073 ESP Fit Center 3154 is at 2.767864 -1.563888 -3.105073 ESP Fit Center 3155 is at 3.127300 -1.794884 -3.105073 ESP Fit Center 3156 is at 3.537255 -1.915257 -3.105073 ESP Fit Center 3157 is at 3.964518 -1.915257 -3.105073 ESP Fit Center 3158 is at 4.374473 -1.794884 -3.105073 ESP Fit Center 3159 is at 4.733909 -1.563888 -3.105073 ESP Fit Center 3160 is at 5.013706 -1.240985 -3.105073 ESP Fit Center 3161 is at 5.191197 -0.852334 -3.105073 ESP Fit Center 3162 is at 4.947987 -0.429420 -3.409089 ESP Fit Center 3163 is at 4.875793 -0.019988 -3.409089 ESP Fit Center 3164 is at 4.667919 0.340061 -3.409089 ESP Fit Center 3165 is at 4.349437 0.607299 -3.409089 ESP Fit Center 3166 is at 3.958761 0.749494 -3.409089 ESP Fit Center 3167 is at 3.543012 0.749494 -3.409089 ESP Fit Center 3168 is at 3.152336 0.607299 -3.409089 ESP Fit Center 3169 is at 2.833854 0.340061 -3.409089 ESP Fit Center 3170 is at 2.625980 -0.019988 -3.409089 ESP Fit Center 3171 is at 2.553786 -0.429420 -3.409089 ESP Fit Center 3172 is at 2.625980 -0.838853 -3.409089 ESP Fit Center 3173 is at 2.833854 -1.198901 -3.409089 ESP Fit Center 3174 is at 3.152336 -1.466140 -3.409089 ESP Fit Center 3175 is at 3.543012 -1.608334 -3.409089 ESP Fit Center 3176 is at 3.958761 -1.608334 -3.409089 ESP Fit Center 3177 is at 4.349437 -1.466140 -3.409089 ESP Fit Center 3178 is at 4.667919 -1.198901 -3.409089 ESP Fit Center 3179 is at 4.875793 -0.838853 -3.409089 ESP Fit Center 3180 is at 4.583943 -0.429420 -3.637833 ESP Fit Center 3181 is at 4.472335 -0.012892 -3.637833 ESP Fit Center 3182 is at 4.167415 0.292028 -3.637833 ESP Fit Center 3183 is at 3.750886 0.403637 -3.637833 ESP Fit Center 3184 is at 3.334358 0.292028 -3.637833 ESP Fit Center 3185 is at 3.029438 -0.012892 -3.637833 ESP Fit Center 3186 is at 2.917830 -0.429420 -3.637833 ESP Fit Center 3187 is at 3.029438 -0.845949 -3.637833 ESP Fit Center 3188 is at 3.334358 -1.150868 -3.637833 ESP Fit Center 3189 is at 3.750886 -1.262477 -3.637833 ESP Fit Center 3190 is at 4.167415 -1.150868 -3.637833 ESP Fit Center 3191 is at 4.472335 -0.845949 -3.637833 ESP Fit Center 3192 is at 4.178127 -0.429420 -3.779834 ESP Fit Center 3193 is at 3.964507 -0.059419 -3.779834 ESP Fit Center 3194 is at 3.537266 -0.059419 -3.779834 ESP Fit Center 3195 is at 3.323646 -0.429420 -3.779834 ESP Fit Center 3196 is at 3.537266 -0.799421 -3.779834 ESP Fit Center 3197 is at 3.964507 -0.799421 -3.779834 ESP Fit Center 3198 is at 3.750886 -0.429420 -3.827972 ESP Fit Center 3199 is at 1.754508 1.360308 2.379445 ESP Fit Center 3200 is at 2.171263 1.360308 2.342984 ESP Fit Center 3201 is at 1.962885 1.721229 2.342984 ESP Fit Center 3202 is at 1.546130 1.721229 2.342984 ESP Fit Center 3203 is at 1.337752 1.360308 2.342984 ESP Fit Center 3204 is at 1.546130 0.999388 2.342984 ESP Fit Center 3205 is at 1.962885 0.999388 2.342984 ESP Fit Center 3206 is at 2.575356 1.360308 2.234708 ESP Fit Center 3207 is at 2.465383 1.770733 2.234708 ESP Fit Center 3208 is at 2.164932 2.071184 2.234708 ESP Fit Center 3209 is at 1.754508 2.181157 2.234708 ESP Fit Center 3210 is at 0.933659 1.360308 2.234708 ESP Fit Center 3211 is at 1.043632 0.949884 2.234708 ESP Fit Center 3212 is at 2.164932 0.649433 2.234708 ESP Fit Center 3213 is at 2.465383 0.949884 2.234708 ESP Fit Center 3214 is at 2.954508 1.360308 2.057906 ESP Fit Center 3215 is at 2.882139 1.770733 2.057906 ESP Fit Center 3216 is at 2.673761 0.588963 2.057906 ESP Fit Center 3217 is at 2.882139 0.949884 2.057906 ESP Fit Center 3218 is at 3.297198 1.360308 1.817952 ESP Fit Center 3219 is at 3.239991 1.776521 1.817952 ESP Fit Center 3220 is at 3.239991 0.944096 1.817952 ESP Fit Center 3221 is at 3.593014 1.360308 1.522135 ESP Fit Center 3222 is at 3.543457 1.784297 1.522135 ESP Fit Center 3223 is at 3.543457 0.936320 1.522135 ESP Fit Center 3224 is at 3.790422 1.778700 1.179445 ESP Fit Center 3225 is at 3.239991 1.776521 -1.859061 ESP Fit Center 3226 is at 2.954508 1.360308 -2.099016 ESP Fit Center 3227 is at 2.882139 1.770733 -2.099016 ESP Fit Center 3228 is at 2.673761 2.131654 -2.099016 ESP Fit Center 3229 is at 2.354508 2.399539 -2.099016 ESP Fit Center 3230 is at 2.575356 1.360308 -2.275817 ESP Fit Center 3231 is at 2.465383 1.770733 -2.275817 ESP Fit Center 3232 is at 2.164932 2.071184 -2.275817 ESP Fit Center 3233 is at 2.164932 0.649433 -2.275817 ESP Fit Center 3234 is at 2.465383 0.949884 -2.275817 ESP Fit Center 3235 is at 2.171263 1.360308 -2.384093 ESP Fit Center 3236 is at 1.962885 1.721229 -2.384093 ESP Fit Center 3237 is at 1.546130 1.721229 -2.384093 ESP Fit Center 3238 is at 1.337752 1.360308 -2.384093 ESP Fit Center 3239 is at 1.546130 0.999388 -2.384093 ESP Fit Center 3240 is at 1.962885 0.999388 -2.384093 ESP Fit Center 3241 is at 1.754508 1.360308 -2.420555 ESP Fit Center 3242 is at 4.192664 0.924347 1.446717 ESP Fit Center 3243 is at 3.765423 0.924347 1.446717 ESP Fit Center 3244 is at 4.812100 0.554346 1.304716 ESP Fit Center 3245 is at 4.700492 0.970874 1.304716 ESP Fit Center 3246 is at 4.395572 1.275794 1.304716 ESP Fit Center 3247 is at 3.979044 1.387403 1.304716 ESP Fit Center 3248 is at 5.176144 0.554346 1.075972 ESP Fit Center 3249 is at 5.103950 0.963778 1.075972 ESP Fit Center 3250 is at 4.896076 1.323827 1.075972 ESP Fit Center 3251 is at 4.577594 1.591065 1.075972 ESP Fit Center 3252 is at 4.186918 1.733260 1.075972 ESP Fit Center 3253 is at 5.419354 0.977259 0.771956 ESP Fit Center 3254 is at 5.241863 1.365911 0.771956 ESP Fit Center 3255 is at 4.962066 1.688814 0.771956 ESP Fit Center 3256 is at 4.602630 1.919809 0.771956 ESP Fit Center 3257 is at 4.192675 2.040183 0.771956 ESP Fit Center 3258 is at 5.658637 0.968328 0.407912 ESP Fit Center 3259 is at 5.510759 1.358252 0.407912 ESP Fit Center 3260 is at 5.273863 1.701455 0.407912 ESP Fit Center 3261 is at 4.961716 1.977993 0.407912 ESP Fit Center 3262 is at 4.592460 2.171793 0.407912 ESP Fit Center 3263 is at 5.665533 1.366516 0.002096 ESP Fit Center 3264 is at 5.442524 1.721432 0.002096 ESP Fit Center 3265 is at 5.146130 2.017826 0.002096 ESP Fit Center 3266 is at 4.791214 2.240835 0.002096 ESP Fit Center 3267 is at 5.721588 1.360533 -0.425145 ESP Fit Center 3268 is at 5.507542 1.716280 -0.425145 ESP Fit Center 3269 is at 5.222025 2.017697 -0.425145 ESP Fit Center 3270 is at 4.878388 2.250689 -0.425145 ESP Fit Center 3271 is at 5.665533 1.366516 -0.852385 ESP Fit Center 3272 is at 5.442524 1.721432 -0.852385 ESP Fit Center 3273 is at 5.146130 2.017826 -0.852385 ESP Fit Center 3274 is at 4.791214 2.240835 -0.852385 ESP Fit Center 3275 is at 5.273863 1.701455 -1.258201 ESP Fit Center 3276 is at 4.961716 1.977993 -1.258201 ESP Fit Center 3277 is at 4.592460 2.171793 -1.258201 ESP Fit Center 3278 is at 4.962066 1.688814 -1.622245 ESP Fit Center 3279 is at 4.602630 1.919809 -1.622245 ESP Fit Center 3280 is at 4.192675 2.040183 -1.622245 ESP Fit Center 3281 is at 4.186918 1.733260 -1.926261 ESP Fit Center 3282 is at 3.771169 1.733260 -1.926261 ESP Fit Center 3283 is at 3.380493 1.591065 -1.926261 ESP Fit Center 3284 is at 5.122011 -1.725053 3.217280 ESP Fit Center 3285 is at 4.908391 -1.355052 3.217280 ESP Fit Center 3286 is at 4.908391 -2.095054 3.217280 ESP Fit Center 3287 is at 5.527828 -1.725053 3.075279 ESP Fit Center 3288 is at 5.416219 -1.308525 3.075279 ESP Fit Center 3289 is at 5.111299 -1.003605 3.075279 ESP Fit Center 3290 is at 4.694771 -2.558110 3.075279 ESP Fit Center 3291 is at 5.111299 -2.446501 3.075279 ESP Fit Center 3292 is at 5.416219 -2.141581 3.075279 ESP Fit Center 3293 is at 5.891871 -1.725053 2.846535 ESP Fit Center 3294 is at 5.819677 -1.315621 2.846535 ESP Fit Center 3295 is at 5.611803 -0.955572 2.846535 ESP Fit Center 3296 is at 5.293321 -0.688334 2.846535 ESP Fit Center 3297 is at 4.486897 -2.903967 2.846535 ESP Fit Center 3298 is at 4.902645 -2.903967 2.846535 ESP Fit Center 3299 is at 5.293321 -2.761772 2.846535 ESP Fit Center 3300 is at 5.611803 -2.494534 2.846535 ESP Fit Center 3301 is at 5.819677 -2.134486 2.846535 ESP Fit Center 3302 is at 6.195888 -1.725053 2.542519 ESP Fit Center 3303 is at 6.135082 -1.302140 2.542519 ESP Fit Center 3304 is at 5.957591 -0.913488 2.542519 ESP Fit Center 3305 is at 5.677793 -0.590585 2.542519 ESP Fit Center 3306 is at 5.318357 -0.359590 2.542519 ESP Fit Center 3307 is at 4.481140 -3.210890 2.542519 ESP Fit Center 3308 is at 4.908402 -3.210890 2.542519 ESP Fit Center 3309 is at 5.318357 -3.090517 2.542519 ESP Fit Center 3310 is at 5.677793 -2.859521 2.542519 ESP Fit Center 3311 is at 5.957591 -2.536618 2.542519 ESP Fit Center 3312 is at 6.135082 -2.147966 2.542519 ESP Fit Center 3313 is at 6.424631 -1.725053 2.178476 ESP Fit Center 3314 is at 6.374365 -1.311070 2.178476 ESP Fit Center 3315 is at 6.226486 -0.921147 2.178476 ESP Fit Center 3316 is at 5.989590 -0.577944 2.178476 ESP Fit Center 3317 is at 5.677444 -0.301406 2.178476 ESP Fit Center 3318 is at 5.308188 -0.107606 2.178476 ESP Fit Center 3319 is at 4.486259 -3.442301 2.178476 ESP Fit Center 3320 is at 4.903283 -3.442301 2.178476 ESP Fit Center 3321 is at 5.308188 -3.342500 2.178476 ESP Fit Center 3322 is at 5.677444 -3.148700 2.178476 ESP Fit Center 3323 is at 5.989590 -2.872163 2.178476 ESP Fit Center 3324 is at 6.226486 -2.528959 2.178476 ESP Fit Center 3325 is at 6.374365 -2.139036 2.178476 ESP Fit Center 3326 is at 6.566633 -1.725053 1.772659 ESP Fit Center 3327 is at 6.519701 -1.308525 1.772659 ESP Fit Center 3328 is at 6.381260 -0.912883 1.772659 ESP Fit Center 3329 is at 6.158251 -0.557966 1.772659 ESP Fit Center 3330 is at 5.861858 -0.261573 1.772659 ESP Fit Center 3331 is at 5.506941 -0.038564 1.772659 ESP Fit Center 3332 is at 4.694771 -3.596915 1.772659 ESP Fit Center 3333 is at 5.111299 -3.549983 1.772659 ESP Fit Center 3334 is at 5.506941 -3.411542 1.772659 ESP Fit Center 3335 is at 5.861858 -3.188533 1.772659 ESP Fit Center 3336 is at 6.158251 -2.892140 1.772659 ESP Fit Center 3337 is at 6.381260 -2.537223 1.772659 ESP Fit Center 3338 is at 6.519701 -2.141581 1.772659 ESP Fit Center 3339 is at 6.614771 -1.725053 1.345419 ESP Fit Center 3340 is at 6.569883 -1.312310 1.345419 ESP Fit Center 3341 is at 6.437316 -0.918866 1.345419 ESP Fit Center 3342 is at 6.223270 -0.563119 1.345419 ESP Fit Center 3343 is at 5.937753 -0.261702 1.345419 ESP Fit Center 3344 is at 5.594115 -0.028710 1.345419 ESP Fit Center 3345 is at 4.384150 -3.619760 1.345419 ESP Fit Center 3346 is at 4.798718 -3.642237 1.345419 ESP Fit Center 3347 is at 5.208425 -3.575069 1.345419 ESP Fit Center 3348 is at 5.594115 -3.421396 1.345419 ESP Fit Center 3349 is at 5.937753 -3.188404 1.345419 ESP Fit Center 3350 is at 6.223270 -2.886988 1.345419 ESP Fit Center 3351 is at 6.437316 -2.531240 1.345419 ESP Fit Center 3352 is at 6.569883 -2.137796 1.345419 ESP Fit Center 3353 is at 6.566633 -1.725053 0.918179 ESP Fit Center 3354 is at 6.519701 -1.308525 0.918179 ESP Fit Center 3355 is at 6.381260 -0.912883 0.918179 ESP Fit Center 3356 is at 6.158251 -0.557966 0.918179 ESP Fit Center 3357 is at 5.861858 -0.261573 0.918179 ESP Fit Center 3358 is at 4.694771 -3.596915 0.918179 ESP Fit Center 3359 is at 5.111299 -3.549983 0.918179 ESP Fit Center 3360 is at 5.506941 -3.411542 0.918179 ESP Fit Center 3361 is at 5.861858 -3.188533 0.918179 ESP Fit Center 3362 is at 6.158251 -2.892140 0.918179 ESP Fit Center 3363 is at 6.381260 -2.537223 0.918179 ESP Fit Center 3364 is at 6.519701 -2.141581 0.918179 ESP Fit Center 3365 is at 6.424631 -1.725053 0.512362 ESP Fit Center 3366 is at 4.903283 -3.442301 0.512362 ESP Fit Center 3367 is at 5.308188 -3.342500 0.512362 ESP Fit Center 3368 is at 5.677444 -3.148700 0.512362 ESP Fit Center 3369 is at 5.989590 -2.872163 0.512362 ESP Fit Center 3370 is at 6.226486 -2.528959 0.512362 ESP Fit Center 3371 is at 6.374365 -2.139036 0.512362 ESP Fit Center 3372 is at 5.318357 -3.090517 0.148318 ESP Fit Center 3373 is at 5.677793 -2.859521 0.148318 ESP Fit Center 3374 is at 5.957591 -2.536618 0.148318 ESP Fit Center 3375 is at 6.135082 -2.147966 0.148318 ESP Fit Center 3376 is at 5.293321 -2.761772 -0.155698 ESP Fit Center 3377 is at 5.611803 -2.494534 -0.155698 ESP Fit Center 3378 is at 0.852776 2.246030 2.333104 ESP Fit Center 3379 is at 1.269532 2.246030 2.296642 ESP Fit Center 3380 is at 1.061154 2.606951 2.296642 ESP Fit Center 3381 is at 0.644399 2.606951 2.296642 ESP Fit Center 3382 is at 0.436021 2.246030 2.296642 ESP Fit Center 3383 is at 0.644399 1.885109 2.296642 ESP Fit Center 3384 is at 1.061154 1.885109 2.296642 ESP Fit Center 3385 is at 1.563652 2.656455 2.188366 ESP Fit Center 3386 is at 0.442352 2.956906 2.188366 ESP Fit Center 3387 is at 0.141901 2.656455 2.188366 ESP Fit Center 3388 is at 0.031928 2.246030 2.188366 ESP Fit Center 3389 is at 0.141901 1.835606 2.188366 ESP Fit Center 3390 is at 0.442352 1.535155 2.188366 ESP Fit Center 3391 is at -0.066477 3.017375 2.011565 ESP Fit Center 3392 is at -0.274855 2.656455 2.011565 ESP Fit Center 3393 is at -0.347224 2.246030 2.011565 ESP Fit Center 3394 is at -0.274855 1.835606 2.011565 ESP Fit Center 3395 is at -0.066477 1.474685 2.011565 ESP Fit Center 3396 is at 0.252776 1.206800 2.011565 ESP Fit Center 3397 is at -0.675545 2.456093 1.771610 ESP Fit Center 3398 is at -0.675545 2.035967 1.771610 ESP Fit Center 3399 is at -0.562197 1.631421 1.771610 ESP Fit Center 3400 is at -0.675545 2.456093 -1.905403 ESP Fit Center 3401 is at 1.980408 2.656455 -2.145357 ESP Fit Center 3402 is at -0.274855 2.656455 -2.145357 ESP Fit Center 3403 is at -0.347224 2.246030 -2.145357 ESP Fit Center 3404 is at -0.274855 1.835606 -2.145357 ESP Fit Center 3405 is at -0.066477 1.474685 -2.145357 ESP Fit Center 3406 is at 0.252776 1.206800 -2.145357 ESP Fit Center 3407 is at 1.673625 2.246030 -2.322159 ESP Fit Center 3408 is at 1.563652 2.656455 -2.322159 ESP Fit Center 3409 is at 0.442352 2.956906 -2.322159 ESP Fit Center 3410 is at 0.141901 2.656455 -2.322159 ESP Fit Center 3411 is at 0.031928 2.246030 -2.322159 ESP Fit Center 3412 is at 0.141901 1.835606 -2.322159 ESP Fit Center 3413 is at 0.442352 1.535155 -2.322159 ESP Fit Center 3414 is at 0.852776 1.425182 -2.322159 ESP Fit Center 3415 is at 1.269532 2.246030 -2.430435 ESP Fit Center 3416 is at 1.061154 2.606951 -2.430435 ESP Fit Center 3417 is at 0.644399 2.606951 -2.430435 ESP Fit Center 3418 is at 0.436021 2.246030 -2.430435 ESP Fit Center 3419 is at 0.644399 1.885109 -2.430435 ESP Fit Center 3420 is at 1.061154 1.885109 -2.430435 ESP Fit Center 3421 is at 0.852776 2.246030 -2.466896 ESP Fit Center 3422 is at -0.735685 -5.799028 1.598877 ESP Fit Center 3423 is at -0.319157 -5.910636 1.598877 ESP Fit Center 3424 is at 0.097372 -5.799028 1.598877 ESP Fit Center 3425 is at -1.236189 -5.847061 1.370133 ESP Fit Center 3426 is at -0.917707 -6.114299 1.370133 ESP Fit Center 3427 is at -0.527031 -6.256493 1.370133 ESP Fit Center 3428 is at -0.111282 -6.256493 1.370133 ESP Fit Center 3429 is at 0.279394 -6.114299 1.370133 ESP Fit Center 3430 is at 0.597875 -5.847061 1.370133 ESP Fit Center 3431 is at -1.581976 -5.889144 1.066117 ESP Fit Center 3432 is at -1.302179 -6.212048 1.066117 ESP Fit Center 3433 is at -0.942743 -6.443043 1.066117 ESP Fit Center 3434 is at -0.532788 -6.563417 1.066117 ESP Fit Center 3435 is at -0.105526 -6.563417 1.066117 ESP Fit Center 3436 is at 0.304430 -6.443043 1.066117 ESP Fit Center 3437 is at 0.663866 -6.212048 1.066117 ESP Fit Center 3438 is at 0.943663 -5.889144 1.066117 ESP Fit Center 3439 is at -1.850872 -5.881486 0.702074 ESP Fit Center 3440 is at -1.613976 -6.224689 0.702074 ESP Fit Center 3441 is at -1.301829 -6.501227 0.702074 ESP Fit Center 3442 is at -0.932574 -6.695027 0.702074 ESP Fit Center 3443 is at -0.527668 -6.794827 0.702074 ESP Fit Center 3444 is at -0.110645 -6.794827 0.702074 ESP Fit Center 3445 is at 0.294260 -6.695027 0.702074 ESP Fit Center 3446 is at 0.663516 -6.501227 0.702074 ESP Fit Center 3447 is at 0.975662 -6.224689 0.702074 ESP Fit Center 3448 is at 1.212558 -5.881486 0.702074 ESP Fit Center 3449 is at -2.005646 -5.889750 0.296257 ESP Fit Center 3450 is at -1.782637 -6.244666 0.296257 ESP Fit Center 3451 is at -1.486243 -6.541060 0.296257 ESP Fit Center 3452 is at -1.131327 -6.764069 0.296257 ESP Fit Center 3453 is at -0.735685 -6.902510 0.296257 ESP Fit Center 3454 is at -0.319157 -6.949441 0.296257 ESP Fit Center 3455 is at 0.097372 -6.902510 0.296257 ESP Fit Center 3456 is at 0.493014 -6.764069 0.296257 ESP Fit Center 3457 is at 0.847930 -6.541060 0.296257 ESP Fit Center 3458 is at 1.144324 -6.244666 0.296257 ESP Fit Center 3459 is at 1.367332 -5.889750 0.296257 ESP Fit Center 3460 is at -2.138651 -5.690639 -0.130983 ESP Fit Center 3461 is at -1.964322 -6.067443 -0.130983 ESP Fit Center 3462 is at -1.713068 -6.397963 -0.130983 ESP Fit Center 3463 is at -1.396636 -6.666742 -0.130983 ESP Fit Center 3464 is at -1.029822 -6.861215 -0.130983 ESP Fit Center 3465 is at -0.629778 -6.972287 -0.130983 ESP Fit Center 3466 is at -0.215210 -6.994764 -0.130983 ESP Fit Center 3467 is at 0.194498 -6.927596 -0.130983 ESP Fit Center 3468 is at 0.580188 -6.773923 -0.130983 ESP Fit Center 3469 is at 0.923825 -6.540931 -0.130983 ESP Fit Center 3470 is 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-1.987934 ESP Fit Center 3543 is at -1.679433 0.422778 -1.987934 ESP Fit Center 3544 is at -1.887811 0.783699 -1.987934 ESP Fit Center 3545 is at -2.207064 1.051584 -1.987934 ESP Fit Center 3546 is at -2.598687 1.194123 -1.987934 ESP Fit Center 3547 is at -1.679433 -0.398071 -1.987934 ESP Fit Center 3548 is at -1.986216 0.012353 -2.164735 ESP Fit Center 3549 is at -2.096189 0.422778 -2.164735 ESP Fit Center 3550 is at -2.396640 0.723229 -2.164735 ESP Fit Center 3551 is at -2.807064 0.833202 -2.164735 ESP Fit Center 3552 is at -3.517940 -0.398071 -2.164735 ESP Fit Center 3553 is at -2.096189 -0.398071 -2.164735 ESP Fit Center 3554 is at -2.390309 0.012353 -2.273012 ESP Fit Center 3555 is at -2.598687 0.373274 -2.273012 ESP Fit Center 3556 is at -3.015442 0.373274 -2.273012 ESP Fit Center 3557 is at -3.223820 0.012353 -2.273012 ESP Fit Center 3558 is at -3.015442 -0.348568 -2.273012 ESP Fit Center 3559 is at -2.598687 -0.348568 -2.273012 ESP Fit Center 3560 is at -2.807064 0.012353 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3579 is at -4.376404 -0.002430 2.342699 ESP Fit Center 3580 is at -3.965980 -0.112403 2.342699 ESP Fit Center 3581 is at -5.093611 1.118870 2.165897 ESP Fit Center 3582 is at -4.885234 1.479791 -1.991025 ESP Fit Center 3583 is at -3.255105 1.118870 -2.167826 ESP Fit Center 3584 is at -4.376404 1.419321 -2.167826 ESP Fit Center 3585 is at -4.676856 1.118870 -2.167826 ESP Fit Center 3586 is at -3.549225 0.708446 -2.276102 ESP Fit Center 3587 is at -3.757602 1.069367 -2.276102 ESP Fit Center 3588 is at -4.174358 1.069367 -2.276102 ESP Fit Center 3589 is at -4.382736 0.708446 -2.276102 ESP Fit Center 3590 is at -3.757602 0.347525 -2.276102 ESP Fit Center 3591 is at -3.965980 0.708446 -2.312564 ESP Fit Center 3592 is at -4.998431 0.371469 2.293495 ESP Fit Center 3593 is at -5.206809 0.831397 2.185218 ESP Fit Center 3594 is at -5.617233 0.721424 2.185218 ESP Fit Center 3595 is at -5.917685 0.420972 2.185218 ESP Fit Center 3596 is at -5.806809 1.049779 2.008417 ESP Fit Center 3597 is at 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ESP Fit Center 3652 is at -3.220698 4.389739 0.681022 ESP Fit Center 3653 is at -3.633806 4.484028 0.681022 ESP Fit Center 3654 is at -4.057111 4.503039 0.681022 ESP Fit Center 3655 is at -4.477008 4.446160 0.681022 ESP Fit Center 3656 is at -3.130223 4.397143 0.264266 ESP Fit Center 3657 is at -3.534316 4.505419 0.264266 ESP Fit Center 3658 is at -3.951071 4.541880 0.264266 ESP Fit Center 3659 is at -4.367827 4.505419 0.264266 ESP Fit Center 3660 is at -4.771920 4.397143 0.264266 ESP Fit Center 3661 is at -2.477429 3.989769 -0.152489 ESP Fit Center 3662 is at -2.831064 4.223202 -0.152489 ESP Fit Center 3663 is at -3.220698 4.389739 -0.152489 ESP Fit Center 3664 is at -3.633806 4.484028 -0.152489 ESP Fit Center 3665 is at -4.057111 4.503039 -0.152489 ESP Fit Center 3666 is at -4.477008 4.446160 -0.152489 ESP Fit Center 3667 is at -4.880001 4.315220 -0.152489 ESP Fit Center 3668 is at -1.857358 2.980077 -0.556582 ESP Fit Center 3669 is at -5.427954 3.846294 -0.556582 ESP Fit Center 3670 is at -1.872610 2.141880 -0.935734 ESP Fit Center 3671 is at -1.915157 2.560271 -0.935734 ESP Fit Center 3672 is at -5.768367 3.150562 -0.935734 ESP Fit Center 3673 is at -5.934213 2.764095 -0.935734 ESP Fit Center 3674 is at -5.777147 2.355318 -1.278424 ESP Fit Center 3675 is at -5.479393 1.931817 -1.574240 ESP Fit Center 3676 is at -6.267465 1.085123 1.820281 ESP Fit Center 3677 is at -6.470373 1.436570 1.678280 ESP Fit Center 3678 is at -6.775293 1.131650 1.678280 ESP Fit Center 3679 is at -6.886901 0.715122 1.678280 ESP Fit Center 3680 is at -6.652395 1.751841 1.449536 ESP Fit Center 3681 is at -6.970877 1.484603 1.449536 ESP Fit Center 3682 is at -7.178751 1.124555 1.449536 ESP Fit Center 3683 is at -7.250945 0.715122 1.449536 ESP Fit Center 3684 is at -7.178751 0.305690 1.449536 ESP Fit Center 3685 is at -7.036867 1.849590 1.145520 ESP Fit Center 3686 is at -7.316664 1.526687 1.145520 ESP Fit Center 3687 is at -7.494155 1.138035 1.145520 ESP Fit Center 3688 is at -7.554961 0.715122 1.145520 ESP Fit Center 3689 is at -7.494155 0.292209 1.145520 ESP Fit Center 3690 is at -7.316664 -0.096443 1.145520 ESP Fit Center 3691 is at -7.036517 2.138769 0.781476 ESP Fit Center 3692 is at -7.348663 1.862232 0.781476 ESP Fit Center 3693 is at -7.585560 1.519028 0.781476 ESP Fit Center 3694 is at -7.733438 1.129105 0.781476 ESP Fit Center 3695 is at -7.783705 0.715122 0.781476 ESP Fit Center 3696 is at -7.733438 0.301139 0.781476 ESP Fit Center 3697 is at -7.585560 -0.088784 0.781476 ESP Fit Center 3698 is at -6.866015 2.401611 0.375660 ESP Fit Center 3699 is at -7.220931 2.178602 0.375660 ESP Fit Center 3700 is at -7.517325 1.882209 0.375660 ESP Fit Center 3701 is at -7.740333 1.527292 0.375660 ESP Fit Center 3702 is at -7.878775 1.131650 0.375660 ESP Fit Center 3703 is at -7.925706 0.715122 0.375660 ESP Fit Center 3704 is at -7.878775 0.298594 0.375660 ESP Fit Center 3705 is at -7.740333 -0.097048 0.375660 ESP Fit Center 3706 is at -6.764510 2.498757 -0.051580 ESP Fit Center 3707 is at -7.131324 2.304285 -0.051580 ESP Fit Center 3708 is at -7.447756 2.035505 -0.051580 ESP Fit Center 3709 is at -7.699010 1.704985 -0.051580 ESP Fit Center 3710 is at -7.873339 1.328181 -0.051580 ESP Fit Center 3711 is at -7.962589 0.922711 -0.051580 ESP Fit Center 3712 is at -7.962589 0.507534 -0.051580 ESP Fit Center 3713 is at -7.873339 0.102063 -0.051580 ESP Fit Center 3714 is at -7.699010 -0.274741 -0.051580 ESP Fit Center 3715 is at -6.470373 2.540052 -0.478821 ESP Fit Center 3716 is at -6.866015 2.401611 -0.478821 ESP Fit Center 3717 is at -7.220931 2.178602 -0.478821 ESP Fit Center 3718 is at -7.517325 1.882209 -0.478821 ESP Fit Center 3719 is at -7.740333 1.527292 -0.478821 ESP Fit Center 3720 is at -7.878775 1.131650 -0.478821 ESP Fit Center 3721 is at -7.925706 0.715122 -0.478821 ESP Fit Center 3722 is at -7.878775 0.298594 -0.478821 ESP Fit Center 3723 is at -7.740333 -0.097048 -0.478821 ESP Fit Center 3724 is at -6.262356 2.432370 -0.884637 ESP Fit Center 3725 is at -6.667261 2.332569 -0.884637 ESP Fit Center 3726 is at -7.036517 2.138769 -0.884637 ESP Fit Center 3727 is at -7.348663 1.862232 -0.884637 ESP Fit Center 3728 is at -7.585560 1.519028 -0.884637 ESP Fit Center 3729 is at -7.733438 1.129105 -0.884637 ESP Fit Center 3730 is at -7.783705 0.715122 -0.884637 ESP Fit Center 3731 is at -7.733438 0.301139 -0.884637 ESP Fit Center 3732 is at -7.585560 -0.088784 -0.884637 ESP Fit Center 3733 is at -5.840213 2.200959 -1.248681 ESP Fit Center 3734 is at -6.267476 2.200959 -1.248681 ESP Fit Center 3735 is at -6.677431 2.080586 -1.248681 ESP Fit Center 3736 is at -7.036867 1.849590 -1.248681 ESP Fit Center 3737 is at -7.316664 1.526687 -1.248681 ESP Fit Center 3738 is at -7.494155 1.138035 -1.248681 ESP Fit Center 3739 is at -7.554961 0.715122 -1.248681 ESP Fit Center 3740 is at -7.494155 0.292209 -1.248681 ESP Fit Center 3741 is at -7.316664 -0.096443 -1.248681 ESP Fit Center 3742 is at -5.845970 1.894036 -1.552697 ESP Fit Center 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ESP Fit Center 3816 is at -6.947036 -1.717610 0.738358 ESP Fit Center 3817 is at -6.695782 -2.048130 0.738358 ESP Fit Center 3818 is at -6.379349 -2.316909 0.738358 ESP Fit Center 3819 is at -6.012535 -2.511382 0.738358 ESP Fit Center 3820 is at -5.612492 -2.622453 0.738358 ESP Fit Center 3821 is at -5.197923 -2.644931 0.738358 ESP Fit Center 3822 is at -4.788216 -2.577763 0.738358 ESP Fit Center 3823 is at -6.765350 -1.894833 0.311118 ESP Fit Center 3824 is at -6.468957 -2.191227 0.311118 ESP Fit Center 3825 is at -6.114040 -2.414236 0.311118 ESP Fit Center 3826 is at -5.718399 -2.552677 0.311118 ESP Fit Center 3827 is at -5.301870 -2.599608 0.311118 ESP Fit Center 3828 is at -4.885342 -2.552677 0.311118 ESP Fit Center 3829 is at -6.284543 -2.151394 -0.094699 ESP Fit Center 3830 is at -5.915287 -2.345194 -0.094699 ESP Fit Center 3831 is at -5.510382 -2.444994 -0.094699 ESP Fit Center 3832 is at -5.093359 -2.444994 -0.094699 ESP Fit Center 3833 is at -5.996738 -2.230117 -0.593258 ESP Fit Center 3834 is at -5.601096 -2.368558 -0.593258 ESP Fit Center 3835 is at -5.184568 -2.415489 -0.593258 ESP Fit Center 3836 is at -6.829733 -1.533491 -1.020498 ESP Fit Center 3837 is at -6.578479 -1.864011 -1.020498 ESP Fit Center 3838 is at -6.262047 -2.132791 -1.020498 ESP Fit Center 3839 is at -5.895233 -2.327263 -1.020498 ESP Fit Center 3840 is at -5.495189 -2.438335 -1.020498 ESP Fit Center 3841 is at -5.080621 -2.460812 -1.020498 ESP Fit Center 3842 is at -7.009498 -0.960156 -1.447738 ESP Fit Center 3843 is at -6.871057 -1.355798 -1.447738 ESP Fit Center 3844 is at -6.648048 -1.710714 -1.447738 ESP Fit Center 3845 is at -6.351654 -2.007108 -1.447738 ESP Fit Center 3846 is at -5.996738 -2.230117 -1.447738 ESP Fit Center 3847 is at -5.601096 -2.368558 -1.447738 ESP Fit Center 3848 is at -5.184568 -2.415489 -1.447738 ESP Fit Center 3849 is at -4.768039 -2.368558 -1.447738 ESP Fit Center 3850 is at -6.864161 -0.129645 -1.853555 ESP Fit Center 3851 is at -6.914428 -0.543628 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is at -4.757327 -0.543628 -2.892359 ESP Fit Center 3906 is at -4.970948 -0.173627 -2.892359 ESP Fit Center 3907 is at -5.398188 -0.173627 -2.892359 ESP Fit Center 3908 is at -5.611808 -0.543628 -2.892359 ESP Fit Center 3909 is at -5.398188 -0.913628 -2.892359 ESP Fit Center 3910 is at -4.970948 -0.913628 -2.892359 ESP Fit Center 3911 is at -5.184568 -0.543628 -2.940498 ESP Fit Center 3912 is at -4.896103 2.466582 2.653307 ESP Fit Center 3913 is at -4.468862 2.466582 2.605169 ESP Fit Center 3914 is at -4.682482 2.836582 2.605169 ESP Fit Center 3915 is at -5.109723 2.836582 2.605169 ESP Fit Center 3916 is at -5.323343 2.466582 2.605169 ESP Fit Center 3917 is at -5.109723 2.096581 2.605169 ESP Fit Center 3918 is at -4.682482 2.096581 2.605169 ESP Fit Center 3919 is at -4.479574 3.188030 2.463167 ESP Fit Center 3920 is at -4.896103 3.299638 2.463167 ESP Fit Center 3921 is at -5.312631 3.188030 2.463167 ESP Fit Center 3922 is at -5.617551 2.883110 2.463167 ESP Fit Center 3923 is at 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ESP Fit Center 3942 is at -6.158922 3.278146 1.930407 ESP Fit Center 3943 is at -6.336413 2.889495 1.930407 ESP Fit Center 3944 is at -6.397219 2.466582 1.930407 ESP Fit Center 3945 is at -6.336413 2.043668 1.930407 ESP Fit Center 3946 is at -6.158922 1.655017 1.930407 ESP Fit Center 3947 is at -5.879125 1.332113 1.930407 ESP Fit Center 3948 is at -4.687591 4.183829 1.566364 ESP Fit Center 3949 is at -5.104614 4.183829 1.566364 ESP Fit Center 3950 is at -5.509519 4.084029 1.566364 ESP Fit Center 3951 is at -5.878775 3.890229 1.566364 ESP Fit Center 3952 is at -6.190922 3.613691 1.566364 ESP Fit Center 3953 is at -6.427818 3.270488 1.566364 ESP Fit Center 3954 is at -6.575696 2.880564 1.566364 ESP Fit Center 3955 is at -6.625963 2.466582 1.566364 ESP Fit Center 3956 is at -6.575696 2.052599 1.566364 ESP Fit Center 3957 is at -4.896103 4.338443 1.160547 ESP Fit Center 3958 is at -5.312631 4.291512 1.160547 ESP Fit Center 3959 is at -5.708273 4.153071 1.160547 ESP Fit Center 3960 is at 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ESP Fit Center 3979 is at -6.721033 2.883110 0.306067 ESP Fit Center 3980 is at -6.767964 2.466582 0.306067 ESP Fit Center 3981 is at -5.509519 4.084029 -0.099750 ESP Fit Center 3982 is at -5.878775 3.890229 -0.099750 ESP Fit Center 3983 is at -6.190922 3.613691 -0.099750 ESP Fit Center 3984 is at -6.427818 3.270488 -0.099750 ESP Fit Center 3985 is at -6.575696 2.880564 -0.099750 ESP Fit Center 3986 is at -5.519689 3.832045 -0.463793 ESP Fit Center 3987 is at -5.879125 3.601050 -0.463793 ESP Fit Center 3988 is at -6.158922 3.278146 -0.463793 ESP Fit Center 3989 is at -6.336413 2.889495 -0.463793 ESP Fit Center 3990 is at -6.021009 2.876014 -0.767809 ESP Fit Center 3991 is at -3.055116 4.311224 -0.296292 ESP Fit Center 3992 is at -3.450758 4.449665 -0.296292 ESP Fit Center 3993 is at -3.867286 4.496596 -0.296292 ESP Fit Center 3994 is at -2.338787 3.786669 -0.723532 ESP Fit Center 3995 is at -2.624304 4.088086 -0.723532 ESP Fit Center 3996 is at -2.967942 4.321078 -0.723532 ESP Fit Center 3997 is at -3.353632 4.474751 -0.723532 ESP Fit Center 3998 is at -3.763339 4.541919 -0.723532 ESP Fit Center 3999 is at -4.177908 4.519442 -0.723532 ESP Fit Center 4000 is at -4.577951 4.408370 -0.723532 ESP Fit Center 4001 is at -4.944765 4.213898 -0.723532 ESP Fit Center 4002 is at -5.261197 3.945118 -0.723532 ESP Fit Center 4003 is at -1.995424 2.624735 -1.150772 ESP Fit Center 4004 is at -2.042356 3.041263 -1.150772 ESP Fit Center 4005 is at -2.403806 3.791821 -1.150772 ESP Fit Center 4006 is at -2.700199 4.088215 -1.150772 ESP Fit Center 4007 is at -3.055116 4.311224 -1.150772 ESP Fit Center 4008 is at -3.450758 4.449665 -1.150772 ESP Fit Center 4009 is at -3.867286 4.496596 -1.150772 ESP Fit Center 4010 is at -4.283814 4.449665 -1.150772 ESP Fit Center 4011 is at -4.679456 4.311224 -1.150772 ESP Fit Center 4012 is at -5.034373 4.088215 -1.150772 ESP Fit Center 4013 is at -5.330766 3.791821 -1.150772 ESP Fit Center 4014 is at -5.553775 3.436905 -1.150772 ESP Fit Center 4015 is at -5.692216 3.041263 -1.150772 ESP Fit Center 4016 is at -2.137426 2.624735 -1.556589 ESP Fit Center 4017 is at -2.187692 3.038717 -1.556589 ESP Fit Center 4018 is at -2.335571 3.428641 -1.556589 ESP Fit Center 4019 is at -2.572467 3.771844 -1.556589 ESP Fit Center 4020 is at -2.884613 4.048382 -1.556589 ESP Fit Center 4021 is at -3.253869 4.242182 -1.556589 ESP Fit Center 4022 is at -3.658774 4.341982 -1.556589 ESP Fit Center 4023 is at -4.075798 4.341982 -1.556589 ESP Fit Center 4024 is at -4.480703 4.242182 -1.556589 ESP Fit Center 4025 is at -4.849959 4.048382 -1.556589 ESP Fit Center 4026 is at -5.162105 3.771844 -1.556589 ESP Fit Center 4027 is at -5.399001 3.428641 -1.556589 ESP Fit Center 4028 is at -5.546880 3.038717 -1.556589 ESP Fit Center 4029 is at -5.597146 2.624735 -1.556589 ESP Fit Center 4030 is at -5.546880 2.210752 -1.556589 ESP Fit Center 4031 is at -2.335571 1.820829 -1.556589 ESP Fit Center 4032 is at -2.187692 2.210752 -1.556589 ESP Fit Center 4033 is at -2.366170 2.624735 -1.920633 ESP Fit Center 4034 is at -2.426975 3.047648 -1.920633 ESP Fit Center 4035 is at -2.604467 3.436299 -1.920633 ESP Fit Center 4036 is at -2.884264 3.759203 -1.920633 ESP Fit Center 4037 is at -3.243700 3.990198 -1.920633 ESP Fit Center 4038 is at -3.653655 4.110572 -1.920633 ESP Fit Center 4039 is at -4.080917 4.110572 -1.920633 ESP Fit Center 4040 is at -4.490872 3.990198 -1.920633 ESP Fit Center 4041 is at -4.850308 3.759203 -1.920633 ESP Fit Center 4042 is at -5.130106 3.436299 -1.920633 ESP Fit Center 4043 is at -5.307597 3.047648 -1.920633 ESP Fit Center 4044 is at -5.368403 2.624735 -1.920633 ESP Fit Center 4045 is at -5.307597 2.201821 -1.920633 ESP Fit Center 4046 is at -5.130106 1.813170 -1.920633 ESP Fit Center 4047 is at -2.884264 1.490267 -1.920633 ESP Fit Center 4048 is at -2.604467 1.813170 -1.920633 ESP Fit Center 4049 is at -2.426975 2.201821 -1.920633 ESP Fit Center 4050 is at -2.670186 2.624735 -2.224649 ESP Fit Center 4051 is at -2.742380 3.034167 -2.224649 ESP Fit Center 4052 is at -2.950254 3.394216 -2.224649 ESP Fit Center 4053 is at -3.268736 3.661454 -2.224649 ESP Fit Center 4054 is at -3.659412 3.803648 -2.224649 ESP Fit Center 4055 is at -4.075160 3.803648 -2.224649 ESP Fit Center 4056 is at -4.465836 3.661454 -2.224649 ESP Fit Center 4057 is at -4.784318 3.394216 -2.224649 ESP Fit Center 4058 is at -4.992193 3.034167 -2.224649 ESP Fit Center 4059 is at -5.064387 2.624735 -2.224649 ESP Fit Center 4060 is at -4.992193 2.215302 -2.224649 ESP Fit Center 4061 is at -4.784318 1.855253 -2.224649 ESP Fit Center 4062 is at -4.465836 1.588015 -2.224649 ESP Fit Center 4063 is at -4.075160 1.445821 -2.224649 ESP Fit Center 4064 is at -3.659412 1.445821 -2.224649 ESP Fit Center 4065 is at -3.268736 1.588015 -2.224649 ESP Fit Center 4066 is at -2.950254 1.855253 -2.224649 ESP Fit Center 4067 is at -2.742380 2.215302 -2.224649 ESP Fit Center 4068 is at -3.034229 2.624735 -2.453392 ESP Fit Center 4069 is at -3.145838 3.041263 -2.453392 ESP Fit Center 4070 is at -3.450758 3.346183 -2.453392 ESP Fit Center 4071 is at -3.867286 3.457791 -2.453392 ESP Fit Center 4072 is at -4.283814 3.346183 -2.453392 ESP Fit Center 4073 is at -4.588734 3.041263 -2.453392 ESP Fit Center 4074 is at -4.700343 2.624735 -2.453392 ESP Fit Center 4075 is at -4.588734 2.208206 -2.453392 ESP Fit Center 4076 is at -4.283814 1.903286 -2.453392 ESP Fit Center 4077 is at -3.867286 1.791678 -2.453392 ESP Fit Center 4078 is at -3.450758 1.903286 -2.453392 ESP Fit Center 4079 is at -3.145838 2.208206 -2.453392 ESP Fit Center 4080 is at -3.440046 2.624735 -2.595394 ESP Fit Center 4081 is at -3.653666 2.994736 -2.595394 ESP Fit Center 4082 is at -4.080906 2.994736 -2.595394 ESP Fit Center 4083 is at -4.294526 2.624735 -2.595394 ESP Fit Center 4084 is at -4.080906 2.254734 -2.595394 ESP Fit Center 4085 is at -3.653666 2.254734 -2.595394 ESP Fit Center 4086 is at -3.867286 2.624735 -2.643532 ESP Fit Center 4087 is at -3.083601 2.434584 2.792608 ESP Fit Center 4088 is at -2.656361 2.434584 2.744469 ESP Fit Center 4089 is at -2.869981 2.804585 2.744469 ESP Fit Center 4090 is at -3.297221 2.804585 2.744469 ESP Fit Center 4091 is at -3.510842 2.434584 2.744469 ESP Fit Center 4092 is at -3.297221 2.064583 2.744469 ESP Fit Center 4093 is at -2.869981 2.064583 2.744469 ESP Fit Center 4094 is at -2.250545 2.434584 2.602468 ESP Fit Center 4095 is at -2.362153 2.851113 2.602468 ESP Fit Center 4096 is at -2.667073 3.156033 2.602468 ESP Fit Center 4097 is at -3.083601 3.267641 2.602468 ESP Fit Center 4098 is at -3.500130 3.156033 2.602468 ESP Fit Center 4099 is at -3.805050 2.851113 2.602468 ESP Fit Center 4100 is at -3.500130 1.713136 2.602468 ESP Fit Center 4101 is at -3.083601 1.601528 2.602468 ESP Fit Center 4102 is at -2.667073 1.713136 2.602468 ESP Fit Center 4103 is at -2.362153 2.018056 2.602468 ESP Fit Center 4104 is at -1.886501 2.434584 2.373724 ESP Fit Center 4105 is at -1.958695 2.844017 2.373724 ESP Fit Center 4106 is at -2.166569 3.204066 2.373724 ESP Fit Center 4107 is at -2.485051 3.471304 2.373724 ESP Fit Center 4108 is at -2.875727 3.613498 2.373724 ESP Fit Center 4109 is at -3.291476 3.613498 2.373724 ESP Fit Center 4110 is at -3.682152 3.471304 2.373724 ESP Fit Center 4111 is at -2.875727 1.255671 2.373724 ESP Fit Center 4112 is at -2.485051 1.397865 2.373724 ESP Fit Center 4113 is at -2.166569 1.665103 2.373724 ESP Fit Center 4114 is at -1.958695 2.025152 2.373724 ESP Fit Center 4115 is at -1.582485 2.434584 2.069708 ESP Fit Center 4116 is at -1.643291 2.857498 2.069708 ESP Fit Center 4117 is at -1.820782 3.246149 2.069708 ESP Fit Center 4118 is at -2.100579 3.569052 2.069708 ESP Fit Center 4119 is at -2.460015 3.800048 2.069708 ESP Fit Center 4120 is at -2.869970 3.920422 2.069708 ESP Fit Center 4121 is at -3.297233 3.920422 2.069708 ESP Fit Center 4122 is at -3.707188 3.800048 2.069708 ESP Fit Center 4123 is at -2.100579 1.300116 2.069708 ESP Fit Center 4124 is at -1.820782 1.623019 2.069708 ESP Fit Center 4125 is at -1.643291 2.011671 2.069708 ESP Fit Center 4126 is at -1.353741 2.434584 1.705664 ESP Fit Center 4127 is at -1.404008 2.848567 1.705664 ESP Fit Center 4128 is at -2.100929 3.858231 1.705664 ESP Fit Center 4129 is at -2.470184 4.052032 1.705664 ESP Fit Center 4130 is at -2.875090 4.151832 1.705664 ESP Fit Center 4131 is at -3.292113 4.151832 1.705664 ESP Fit Center 4132 is at -3.697018 4.052032 1.705664 ESP Fit Center 4133 is at -1.404008 2.020602 1.705664 ESP Fit Center 4134 is at -2.667073 4.259514 1.299848 ESP Fit Center 4135 is at -3.083601 4.306446 1.299848 ESP Fit Center 4136 is at -3.500130 4.259514 1.299848 ESP Fit Center 4137 is at -2.569947 4.284600 0.872608 ESP Fit Center 4138 is at -2.979655 4.351768 0.872608 ESP Fit Center 4139 is at -2.667073 4.259514 0.445367 ESP Fit Center 4140 is at -2.470184 4.052032 0.039551 ESP Fit Center 4141 is at 1.158213 3.541379 2.348764 ESP Fit Center 4142 is at 1.366591 3.902300 2.312302 ESP Fit Center 4143 is at 0.949836 3.902300 2.312302 ESP Fit Center 4144 is at 0.741458 3.541379 2.312302 ESP Fit Center 4145 is at 0.949836 3.180458 2.312302 ESP Fit Center 4146 is at 1.366591 3.180458 2.312302 ESP Fit Center 4147 is at 1.158213 4.362228 2.204026 ESP Fit Center 4148 is at 0.747789 4.252255 2.204026 ESP Fit Center 4149 is at 0.447338 3.130955 2.204026 ESP Fit Center 4150 is at 1.758213 4.580610 -2.129697 ESP Fit Center 4151 is at 2.077467 2.770034 -2.129697 ESP Fit Center 4152 is at 1.979062 3.541379 -2.306499 ESP Fit Center 4153 is at 1.869089 3.951803 -2.306499 ESP Fit Center 4154 is at 1.568638 4.252255 -2.306499 ESP Fit Center 4155 is at 1.158213 4.362228 -2.306499 ESP Fit Center 4156 is at 0.447338 3.130955 -2.306499 ESP Fit Center 4157 is at 1.568638 2.830504 -2.306499 ESP Fit Center 4158 is at 1.869089 3.130955 -2.306499 ESP Fit Center 4159 is at 1.574969 3.541379 -2.414775 ESP Fit Center 4160 is at 1.366591 3.902300 -2.414775 ESP Fit Center 4161 is at 0.949836 3.902300 -2.414775 ESP Fit Center 4162 is at 0.741458 3.541379 -2.414775 ESP Fit Center 4163 is at 0.949836 3.180458 -2.414775 ESP Fit Center 4164 is at 1.366591 3.180458 -2.414775 ESP Fit Center 4165 is at 1.158213 3.541379 -2.451236 ESP Fit Center 4166 is at -0.868312 2.359292 1.614681 ESP Fit Center 4167 is at -0.979920 1.942764 1.614681 ESP Fit Center 4168 is at -0.868312 1.526236 1.614681 ESP Fit Center 4169 is at -1.678578 2.746670 -0.948236 ESP Fit Center 4170 is at -1.826457 2.356747 -0.948236 ESP Fit Center 4171 is at -1.587174 2.365677 -1.312280 ESP Fit Center 4172 is at -1.647980 1.942764 -1.312280 ESP Fit Center 4173 is at -1.271770 2.352196 -1.616296 ESP Fit Center 4174 is at -1.343964 1.942764 -1.616296 ESP Fit Center 4175 is at -1.271770 1.533331 -1.616296 ESP Fit Center 4176 is at -0.868312 2.359292 -1.845039 ESP Fit Center 4177 is at -0.979920 1.942764 -1.845039 ESP Fit Center 4178 is at -0.868312 1.526236 -1.845039 ESP Fit Center 4179 is at -0.574103 1.942764 -1.987041 ESP Fit Center 4180 is at 0.938891 4.531604 2.125413 ESP Fit Center 4181 is at 0.828918 4.942029 2.125413 ESP Fit Center 4182 is at 1.245673 4.942029 1.948612 ESP Fit Center 4183 is at 1.037296 5.302950 1.948612 ESP Fit Center 4184 is at 0.718042 5.570835 1.948612 ESP Fit Center 4185 is at 0.326420 5.713374 1.948612 ESP Fit Center 4186 is at 1.436147 5.333161 1.708658 ESP Fit Center 4187 is at 1.171010 5.659058 1.708658 ESP Fit Center 4188 is at 0.827780 5.901336 1.708658 ESP Fit Center 4189 is at 0.431912 6.042028 1.708658 ESP Fit Center 4190 is at 0.012765 6.070698 1.708658 ESP Fit Center 4191 is at -0.409247 6.292874 1.412841 ESP Fit Center 4192 is at -0.797300 6.397656 1.070151 ESP Fit Center 4193 is at -1.009589 6.484719 0.690999 ESP Fit Center 4194 is at -1.358841 6.236018 0.690999 ESP Fit Center 4195 is at -1.184024 6.504150 0.286907 ESP Fit Center 4196 is at -1.515311 6.239958 0.286907 ESP Fit Center 4197 is at -1.794101 5.920858 0.286907 ESP Fit Center 4198 is at -1.081958 6.610065 -0.129849 ESP Fit Center 4199 is at -1.424648 6.370111 -0.129849 ESP Fit Center 4200 is at -1.720464 6.074295 -0.129849 ESP Fit Center 4201 is at -1.960419 5.731604 -0.129849 ESP Fit Center 4202 is at -2.137220 5.352453 -0.129849 ESP Fit Center 4203 is at -2.245496 4.948360 -0.129849 ESP Fit Center 4204 is at -2.281958 4.531604 -0.129849 ESP Fit Center 4205 is at -2.245496 4.114849 -0.129849 ESP Fit Center 4206 is at -1.184024 6.504150 -0.546605 ESP Fit Center 4207 is at -1.515311 6.239958 -0.546605 ESP Fit Center 4208 is at -1.794101 5.920858 -0.546605 ESP Fit Center 4209 is at -2.011433 5.557105 -0.546605 ESP Fit Center 4210 is at -1.009589 6.484719 -0.950697 ESP Fit Center 4211 is at -1.358841 6.236018 -0.950697 ESP Fit Center 4212 is at -1.654714 5.925715 -0.950697 ESP Fit Center 4213 is at -0.797300 6.397656 -1.329849 ESP Fit Center 4214 is at -1.154196 6.175201 -1.329849 ESP Fit Center 4215 is at -0.409247 6.292874 -1.672539 ESP Fit Center 4216 is at -0.801211 6.123798 -1.672539 ESP Fit Center 4217 is at 1.603525 4.947817 -1.968356 ESP Fit Center 4218 is at 1.436147 5.333161 -1.968356 ESP Fit Center 4219 is at 0.012765 6.070698 -1.968356 ESP Fit Center 4220 is at 1.245673 4.942029 -2.208310 ESP Fit Center 4221 is at 1.037296 5.302950 -2.208310 ESP Fit Center 4222 is at 0.718042 5.570835 -2.208310 ESP Fit Center 4223 is at 0.326420 5.713374 -2.208310 ESP Fit Center 4224 is at 0.938891 4.531604 -2.385111 ESP Fit Center 4225 is at 0.828918 4.942029 -2.385111 ESP Fit Center 4226 is at 0.528466 5.242480 -2.385111 ESP Fit Center 4227 is at 1.612320 4.708245 2.169615 ESP Fit Center 4228 is at 2.845443 5.447323 1.929661 ESP Fit Center 4229 is at 2.426297 5.475994 1.929661 ESP Fit Center 4230 is at 2.014958 5.390517 1.929661 ESP Fit Center 4231 is at 1.641934 5.197231 1.929661 ESP Fit Center 4232 is at 1.334891 4.910473 1.929661 ESP Fit Center 4233 is at 3.629453 5.411609 1.633845 ESP Fit Center 4234 is at 3.259769 5.625046 1.633845 ESP Fit Center 4235 is at 2.004284 5.698170 1.633845 ESP Fit Center 4236 is at 1.612320 5.529093 1.633845 ESP Fit Center 4237 is at 4.237498 5.124258 1.291154 ESP Fit Center 4238 is at 3.963564 5.443353 1.291154 ESP Fit Center 4239 is at 4.786836 3.936900 0.912003 ESP Fit Center 4240 is at 4.746080 4.363711 0.912003 ESP Fit Center 4241 is at 4.625287 4.775096 0.912003 ESP Fit Center 4242 is at 4.428821 5.156187 0.912003 ESP Fit Center 4243 is at 4.895112 3.936900 0.507910 ESP Fit Center 4244 is at 4.857129 4.358926 0.507910 ESP Fit Center 4245 is at 4.744401 4.767388 0.507910 ESP Fit Center 4246 is at 4.560550 5.149157 0.507910 ESP Fit Center 4247 is at 4.744401 3.106412 0.507910 ESP Fit Center 4248 is at 4.857129 3.514874 0.507910 ESP Fit Center 4249 is at 4.931573 3.936900 0.091154 ESP Fit Center 4250 is at 4.895112 4.353655 0.091154 ESP Fit Center 4251 is at 4.786836 4.757748 0.091154 ESP Fit Center 4252 is at 4.610034 5.136900 0.091154 ESP Fit Center 4253 is at 4.857129 4.358926 -0.325601 ESP Fit Center 4254 is at 4.744401 4.767388 -0.325601 ESP Fit Center 4255 is at 4.560550 5.149157 -0.325601 ESP Fit Center 4256 is at 4.625287 4.775096 -0.729694 ESP Fit Center 4257 is at 4.441591 4.756553 -1.108846 ESP Fit Center 4258 is at 4.174523 4.762020 -1.451536 ESP Fit Center 4259 is at 3.849678 4.738457 -1.747352 ESP Fit Center 4260 is at 3.450827 4.708245 -1.987307 ESP Fit Center 4261 is at 3.131573 4.976130 -1.987307 ESP Fit Center 4262 is at 2.323196 5.118669 -1.987307 ESP Fit Center 4263 is at 1.931573 4.976130 -1.987307 ESP Fit Center 4264 is at 2.941998 4.647775 -2.164108 ESP Fit Center 4265 is at 2.531573 4.757748 -2.164108 ESP Fit Center 4266 is at 2.121149 4.647775 -2.164108 ESP Fit Center 4267 is at 2.739951 4.297821 -2.272384 ESP Fit Center 4268 is at 2.323196 4.297821 -2.272384 ESP Fit Center 4269 is at 2.114818 3.936900 -2.272384 ESP Fit Center 4270 is at 1.277978 5.962045 1.562605 ESP Fit Center 4271 is at 0.973058 6.266965 1.562605 ESP Fit Center 4272 is at 0.556530 6.378574 1.562605 ESP Fit Center 4273 is at 0.140001 6.266965 1.562605 ESP Fit Center 4274 is at 1.681436 5.954949 1.333861 ESP Fit Center 4275 is at 1.473562 6.314998 1.333861 ESP Fit Center 4276 is at 1.155080 6.582236 1.333861 ESP Fit Center 4277 is at 0.764404 6.724431 1.333861 ESP Fit Center 4278 is at 0.348655 6.724431 1.333861 ESP Fit Center 4279 is at -0.042020 6.582236 1.333861 ESP Fit Center 4280 is at 1.819349 6.357082 1.029845 ESP Fit Center 4281 is at 1.539552 6.679985 1.029845 ESP Fit Center 4282 is at 1.180116 6.910980 1.029845 ESP Fit Center 4283 is at 0.770161 7.031354 1.029845 ESP Fit Center 4284 is at 0.342899 7.031354 1.029845 ESP Fit Center 4285 is at -0.067057 6.910980 1.029845 ESP Fit Center 4286 is at -0.426493 6.679985 1.029845 ESP Fit Center 4287 is at 1.851349 6.692626 0.665801 ESP Fit Center 4288 is at 1.539202 6.969164 0.665801 ESP Fit Center 4289 is at 1.169947 7.162964 0.665801 ESP Fit Center 4290 is at 0.765041 7.262764 0.665801 ESP Fit Center 4291 is at 0.348018 7.262764 0.665801 ESP Fit Center 4292 is at -0.056887 7.162964 0.665801 ESP Fit Center 4293 is at -0.426143 6.969164 0.665801 ESP Fit Center 4294 is at -0.738289 6.692626 0.665801 ESP Fit Center 4295 is at 1.723616 7.008997 0.259985 ESP Fit Center 4296 is at 1.368700 7.232006 0.259985 ESP Fit Center 4297 is at 0.973058 7.370447 0.259985 ESP Fit Center 4298 is at 0.556530 7.417378 0.259985 ESP Fit Center 4299 is at 0.140001 7.370447 0.259985 ESP Fit Center 4300 is at -0.255641 7.232006 0.259985 ESP Fit Center 4301 is at -0.610557 7.008997 0.259985 ESP Fit Center 4302 is at -0.906951 6.712603 0.259985 ESP Fit Center 4303 is at 1.799511 7.008868 -0.167256 ESP Fit Center 4304 is at 1.455874 7.241860 -0.167256 ESP Fit Center 4305 is at 1.070184 7.395533 -0.167256 ESP Fit Center 4306 is at 0.660476 7.462701 -0.167256 ESP Fit Center 4307 is at 0.245908 7.440224 -0.167256 ESP Fit Center 4308 is at -0.154136 7.329152 -0.167256 ESP Fit Center 4309 is at -0.520949 7.134680 -0.167256 ESP Fit Center 4310 is at -0.837382 6.865900 -0.167256 ESP Fit Center 4311 is at 1.723616 7.008997 -0.594496 ESP Fit Center 4312 is at 1.368700 7.232006 -0.594496 ESP Fit Center 4313 is at 0.973058 7.370447 -0.594496 ESP Fit Center 4314 is at 0.556530 7.417378 -0.594496 ESP Fit Center 4315 is at 0.140001 7.370447 -0.594496 ESP Fit Center 4316 is at -0.255641 7.232006 -0.594496 ESP Fit Center 4317 is at -0.610557 7.008997 -0.594496 ESP Fit Center 4318 is at -0.906951 6.712603 -0.594496 ESP Fit Center 4319 is at 1.851349 6.692626 -1.000312 ESP Fit Center 4320 is at 1.539202 6.969164 -1.000312 ESP Fit Center 4321 is at 1.169947 7.162964 -1.000312 ESP Fit Center 4322 is at 0.765041 7.262764 -1.000312 ESP Fit Center 4323 is at 0.348018 7.262764 -1.000312 ESP Fit Center 4324 is at -0.056887 7.162964 -1.000312 ESP Fit Center 4325 is at -0.426143 6.969164 -1.000312 ESP Fit Center 4326 is at -0.738289 6.692626 -1.000312 ESP Fit Center 4327 is at 1.819349 6.357082 -1.364356 ESP Fit Center 4328 is at 1.539552 6.679985 -1.364356 ESP Fit Center 4329 is at 1.180116 6.910980 -1.364356 ESP Fit Center 4330 is at 0.770161 7.031354 -1.364356 ESP Fit Center 4331 is at 0.342899 7.031354 -1.364356 ESP Fit Center 4332 is at -0.067057 6.910980 -1.364356 ESP Fit Center 4333 is at -0.426493 6.679985 -1.364356 ESP Fit Center 4334 is at 1.681436 5.954949 -1.668372 ESP Fit Center 4335 is at 1.473562 6.314998 -1.668372 ESP Fit Center 4336 is at 1.155080 6.582236 -1.668372 ESP Fit Center 4337 is at 0.764404 6.724431 -1.668372 ESP Fit Center 4338 is at 0.348655 6.724431 -1.668372 ESP Fit Center 4339 is at -0.042020 6.582236 -1.668372 ESP Fit Center 4340 is at -0.360502 6.314998 -1.668372 ESP Fit Center 4341 is at 1.389586 5.545517 -1.897116 ESP Fit Center 4342 is at 1.277978 5.962045 -1.897116 ESP Fit Center 4343 is at 0.973058 6.266965 -1.897116 ESP Fit Center 4344 is at 0.556530 6.378574 -1.897116 ESP Fit Center 4345 is at 0.140001 6.266965 -1.897116 ESP Fit Center 4346 is at 0.770150 5.915518 -2.039117 ESP Fit Center 4347 is at -0.534974 4.433764 2.671773 ESP Fit Center 4348 is at -0.107733 4.433764 2.623634 ESP Fit Center 4349 is at -0.321354 4.803765 2.623634 ESP Fit Center 4350 is at -0.748594 4.803765 2.623634 ESP Fit Center 4351 is at -0.962214 4.433764 2.623634 ESP Fit Center 4352 is at -0.748594 4.063763 2.623634 ESP Fit Center 4353 is at -0.321354 4.063763 2.623634 ESP Fit Center 4354 is at 0.298083 4.433764 2.481633 ESP Fit Center 4355 is at 0.186475 4.850293 2.481633 ESP Fit Center 4356 is at -0.118445 5.155213 2.481633 ESP Fit Center 4357 is at -0.534974 5.266821 2.481633 ESP Fit Center 4358 is at -0.951502 5.155213 2.481633 ESP Fit Center 4359 is at -1.256422 4.850293 2.481633 ESP Fit Center 4360 is at -1.368030 4.433764 2.481633 ESP Fit Center 4361 is at -1.256422 4.017236 2.481633 ESP Fit Center 4362 is at -0.951502 3.712316 2.481633 ESP Fit Center 4363 is at -0.534974 3.600708 2.481633 ESP Fit Center 4364 is at -0.118445 3.712316 2.481633 ESP Fit Center 4365 is at 0.186475 4.017236 2.481633 ESP Fit Center 4366 is at 0.662127 4.433764 2.252889 ESP Fit Center 4367 is at 0.589933 4.843197 2.252889 ESP Fit Center 4368 is at 0.382058 5.203246 2.252889 ESP Fit Center 4369 is at 0.063577 5.470484 2.252889 ESP Fit Center 4370 is at -0.327099 5.612678 2.252889 ESP Fit Center 4371 is at -0.742848 5.612678 2.252889 ESP Fit Center 4372 is at -1.133524 5.470484 2.252889 ESP Fit Center 4373 is at -1.452006 5.203246 2.252889 ESP Fit Center 4374 is at -1.659880 4.843197 2.252889 ESP Fit Center 4375 is at -1.732074 4.433764 2.252889 ESP Fit Center 4376 is at -1.659880 4.024332 2.252889 ESP Fit Center 4377 is at -1.452006 3.664283 2.252889 ESP Fit Center 4378 is at -1.133524 3.397045 2.252889 ESP Fit Center 4379 is at -0.742848 3.254851 2.252889 ESP Fit Center 4380 is at -0.327099 3.254851 2.252889 ESP Fit Center 4381 is at 0.063577 3.397045 2.252889 ESP Fit Center 4382 is at 0.382058 3.664283 2.252889 ESP Fit Center 4383 is at 0.589933 4.024332 2.252889 ESP Fit Center 4384 is at 0.088613 5.799228 1.948873 ESP Fit Center 4385 is at -0.321343 5.919602 1.948873 ESP Fit Center 4386 is at -0.748605 5.919602 1.948873 ESP Fit Center 4387 is at -1.158560 5.799228 1.948873 ESP Fit Center 4388 is at -1.517996 5.568232 1.948873 ESP Fit Center 4389 is at -1.797793 5.245329 1.948873 ESP Fit Center 4390 is at -1.975284 4.856678 1.948873 ESP Fit Center 4391 is at -2.036090 4.433764 1.948873 ESP Fit Center 4392 is at -1.975284 4.010851 1.948873 ESP Fit Center 4393 is at -1.797793 3.622200 1.948873 ESP Fit Center 4394 is at -1.517996 3.299296 1.948873 ESP Fit Center 4395 is at -1.158560 3.068301 1.948873 ESP Fit Center 4396 is at -0.748605 2.947927 1.948873 ESP Fit Center 4397 is at -0.321343 2.947927 1.948873 ESP Fit Center 4398 is at -0.326462 6.151012 1.584829 ESP Fit Center 4399 is at -0.743485 6.151012 1.584829 ESP Fit Center 4400 is at -1.148391 6.051212 1.584829 ESP Fit Center 4401 is at -1.517646 5.857411 1.584829 ESP Fit Center 4402 is at -1.829793 5.580874 1.584829 ESP Fit Center 4403 is at -2.066689 5.237670 1.584829 ESP Fit Center 4404 is at -2.214567 4.847747 1.584829 ESP Fit Center 4405 is at -2.264834 4.433764 1.584829 ESP Fit Center 4406 is at -2.214567 4.019782 1.584829 ESP Fit Center 4407 is at -1.148391 2.816317 1.584829 ESP Fit Center 4408 is at -0.951502 6.258694 1.179013 ESP Fit Center 4409 is at -1.347144 6.120253 1.179013 ESP Fit Center 4410 is at -1.702060 5.897245 1.179013 ESP Fit Center 4411 is at -1.998454 5.600851 1.179013 ESP Fit Center 4412 is at -2.221463 5.245935 1.179013 ESP Fit Center 4413 is at -2.359904 4.850293 1.179013 ESP Fit Center 4414 is at -2.406835 4.433764 1.179013 ESP Fit Center 4415 is at -1.612453 6.022927 0.751773 ESP Fit Center 4416 is at -1.928885 5.754147 0.751773 ESP Fit Center 4417 is at -2.180139 5.423628 0.751773 ESP Fit Center 4418 is at -2.354468 5.046823 0.751773 ESP Fit Center 4419 is at -2.443719 4.641353 0.751773 ESP Fit Center 4420 is at -1.998454 5.600851 0.324532 ESP Fit Center 4421 is at -2.221463 5.245935 0.324532 ESP Fit Center 4422 is at -2.359904 4.850293 0.324532 ESP Fit Center 4423 is at -2.406835 4.433764 0.324532 ESP Fit Center 4424 is at -2.185072 5.152811 -0.594262 ESP Fit Center 4425 is at -2.323513 4.757169 -0.594262 ESP Fit Center 4426 is at -2.370444 4.340641 -0.594262 ESP Fit Center 4427 is at -2.323513 3.924112 -0.594262 ESP Fit Center 4428 is at -1.892494 5.661024 -1.021502 ESP Fit Center 4429 is at -2.143749 5.330504 -1.021502 ESP Fit Center 4430 is at -2.318077 4.953700 -1.021502 ESP Fit Center 4431 is at -2.407328 4.548229 -1.021502 ESP Fit Center 4432 is at -2.407328 4.133052 -1.021502 ESP Fit Center 4433 is at -2.318077 3.727582 -1.021502 ESP Fit Center 4434 is at -1.892494 3.020258 -1.021502 ESP Fit Center 4435 is at -1.310753 6.027130 -1.448743 ESP Fit Center 4436 is at -1.665669 5.804121 -1.448743 ESP Fit Center 4437 is at -1.962063 5.507727 -1.448743 ESP Fit Center 4438 is at -2.185072 5.152811 -1.448743 ESP Fit Center 4439 is at -2.323513 4.757169 -1.448743 ESP Fit Center 4440 is at -2.370444 4.340641 -1.448743 ESP Fit Center 4441 is at -2.323513 3.924112 -1.448743 ESP Fit Center 4442 is at -2.185072 3.528470 -1.448743 ESP Fit Center 4443 is at -1.962063 3.173554 -1.448743 ESP Fit Center 4444 is at -1.665669 2.877160 -1.448743 ESP Fit Center 4445 is at -0.707094 6.057888 -1.854559 ESP Fit Center 4446 is at -1.112000 5.958088 -1.854559 ESP Fit Center 4447 is at -1.481255 5.764288 -1.854559 ESP Fit Center 4448 is at -1.793402 5.487750 -1.854559 ESP Fit Center 4449 is at -2.030298 5.144547 -1.854559 ESP Fit Center 4450 is at -2.178176 4.754623 -1.854559 ESP Fit Center 4451 is at -2.228443 4.340641 -1.854559 ESP Fit Center 4452 is at -2.178176 3.926658 -1.854559 ESP Fit Center 4453 is at -2.030298 3.536735 -1.854559 ESP Fit Center 4454 is at -1.793402 3.193531 -1.854559 ESP Fit Center 4455 is at -1.481255 2.916994 -1.854559 ESP Fit Center 4456 is at -1.112000 2.723193 -1.854559 ESP Fit Center 4457 is at -0.707094 2.623393 -1.854559 ESP Fit Center 4458 is at -0.284952 5.826478 -2.218603 ESP Fit Center 4459 is at -0.712214 5.826478 -2.218603 ESP Fit Center 4460 is at -1.122169 5.706104 -2.218603 ESP Fit Center 4461 is at -1.481605 5.475109 -2.218603 ESP Fit Center 4462 is at -1.761402 5.152206 -2.218603 ESP Fit Center 4463 is at -1.938893 4.763554 -2.218603 ESP Fit Center 4464 is at -1.999699 4.340641 -2.218603 ESP Fit Center 4465 is at -1.938893 3.917727 -2.218603 ESP Fit Center 4466 is at -1.761402 3.529076 -2.218603 ESP Fit Center 4467 is at -1.481605 3.206173 -2.218603 ESP Fit Center 4468 is at -1.122169 2.975177 -2.218603 ESP Fit Center 4469 is at -0.712214 2.854804 -2.218603 ESP Fit Center 4470 is at -0.284952 2.854804 -2.218603 ESP Fit Center 4471 is at 0.698518 4.340641 -2.522619 ESP Fit Center 4472 is at 0.626324 4.750073 -2.522619 ESP Fit Center 4473 is at 0.418449 5.110122 -2.522619 ESP Fit Center 4474 is at 0.099967 5.377360 -2.522619 ESP Fit Center 4475 is at -0.290708 5.519555 -2.522619 ESP Fit Center 4476 is at -0.706457 5.519555 -2.522619 ESP Fit Center 4477 is at -1.097133 5.377360 -2.522619 ESP Fit Center 4478 is at -1.415615 5.110122 -2.522619 ESP Fit Center 4479 is at -1.623489 4.750073 -2.522619 ESP Fit Center 4480 is at -1.695683 4.340641 -2.522619 ESP Fit Center 4481 is at -1.623489 3.931208 -2.522619 ESP Fit Center 4482 is at -1.415615 3.571159 -2.522619 ESP Fit Center 4483 is at -1.097133 3.303921 -2.522619 ESP Fit Center 4484 is at -0.706457 3.161727 -2.522619 ESP Fit Center 4485 is at -0.290708 3.161727 -2.522619 ESP Fit Center 4486 is at 0.099967 3.303921 -2.522619 ESP Fit Center 4487 is at 0.418449 3.571159 -2.522619 ESP Fit Center 4488 is at 0.626324 3.931208 -2.522619 ESP Fit Center 4489 is at 0.334474 4.340641 -2.751363 ESP Fit Center 4490 is at 0.222866 4.757169 -2.751363 ESP Fit Center 4491 is at -0.082054 5.062089 -2.751363 ESP Fit Center 4492 is at -0.498583 5.173698 -2.751363 ESP Fit Center 4493 is at -0.915111 5.062089 -2.751363 ESP Fit Center 4494 is at -1.220031 4.757169 -2.751363 ESP Fit Center 4495 is at -1.331640 4.340641 -2.751363 ESP Fit Center 4496 is at -1.220031 3.924112 -2.751363 ESP Fit Center 4497 is at -0.915111 3.619192 -2.751363 ESP Fit Center 4498 is at -0.498583 3.507584 -2.751363 ESP Fit Center 4499 is at -0.082054 3.619192 -2.751363 ESP Fit Center 4500 is at 0.222866 3.924112 -2.751363 ESP Fit Center 4501 is at -0.071343 4.340641 -2.893364 ESP Fit Center 4502 is at -0.284963 4.710642 -2.893364 ESP Fit Center 4503 is at -0.712203 4.710642 -2.893364 ESP Fit Center 4504 is at -0.925823 4.340641 -2.893364 ESP Fit Center 4505 is at -0.712203 3.970640 -2.893364 ESP Fit Center 4506 is at -0.284963 3.970640 -2.893364 ESP Fit Center 4507 is at -0.498583 4.340641 -2.941502 ESP Fit Center 4508 is at 3.053967 5.738178 1.639483 ESP Fit Center 4509 is at 2.637438 5.849787 1.639483 ESP Fit Center 4510 is at 3.554470 5.786211 1.410739 ESP Fit Center 4511 is at 3.235988 6.053449 1.410739 ESP Fit Center 4512 is at 2.845312 6.195644 1.410739 ESP Fit Center 4513 is at 2.429564 6.195644 1.410739 ESP Fit Center 4514 is at 2.038888 6.053449 1.410739 ESP Fit Center 4515 is at 1.720406 5.786211 1.410739 ESP Fit Center 4516 is at 3.900258 5.828295 1.106723 ESP Fit Center 4517 is at 3.620460 6.151198 1.106723 ESP Fit Center 4518 is at 3.261024 6.382193 1.106723 ESP Fit Center 4519 is at 2.851069 6.502567 1.106723 ESP Fit Center 4520 is at 2.423807 6.502567 1.106723 ESP Fit Center 4521 is at 2.013852 6.382193 1.106723 ESP Fit Center 4522 is at 4.317032 5.430713 0.742680 ESP Fit Center 4523 is at 4.169153 5.820636 0.742680 ESP Fit Center 4524 is at 3.932257 6.163839 0.742680 ESP Fit Center 4525 is at 3.620111 6.440377 0.742680 ESP Fit Center 4526 is at 3.250855 6.634177 0.742680 ESP Fit Center 4527 is at 2.845950 6.733977 0.742680 ESP Fit Center 4528 is at 2.428927 6.733977 0.742680 ESP Fit Center 4529 is at 2.024021 6.634177 0.742680 ESP Fit Center 4530 is at 4.462368 5.433258 0.336863 ESP Fit Center 4531 is at 4.323927 5.828900 0.336863 ESP Fit Center 4532 is at 4.100919 6.183816 0.336863 ESP Fit Center 4533 is at 3.804525 6.480210 0.336863 ESP Fit Center 4534 is at 3.449608 6.703219 0.336863 ESP Fit Center 4535 is at 3.053967 6.841660 0.336863 ESP Fit Center 4536 is at 2.637438 6.888591 0.336863 ESP Fit Center 4537 is at 2.220910 6.841660 0.336863 ESP Fit Center 4538 is at 4.512550 5.429473 -0.090377 ESP Fit Center 4539 is at 4.379983 5.822917 -0.090377 ESP Fit Center 4540 is at 4.165937 6.178664 -0.090377 ESP Fit Center 4541 is at 3.880420 6.480081 -0.090377 ESP Fit Center 4542 is at 3.536782 6.713073 -0.090377 ESP Fit Center 4543 is at 3.151093 6.866746 -0.090377 ESP Fit Center 4544 is at 2.741385 6.933914 -0.090377 ESP Fit Center 4545 is at 2.326817 6.911437 -0.090377 ESP Fit Center 4546 is at 4.462368 5.433258 -0.517617 ESP Fit Center 4547 is at 4.323927 5.828900 -0.517617 ESP Fit Center 4548 is at 4.100919 6.183816 -0.517617 ESP Fit Center 4549 is at 3.804525 6.480210 -0.517617 ESP Fit Center 4550 is at 3.449608 6.703219 -0.517617 ESP Fit Center 4551 is at 3.053967 6.841660 -0.517617 ESP Fit Center 4552 is at 2.637438 6.888591 -0.517617 ESP Fit Center 4553 is at 2.220910 6.841660 -0.517617 ESP Fit Center 4554 is at 4.317032 5.430713 -0.923434 ESP Fit Center 4555 is at 4.169153 5.820636 -0.923434 ESP Fit Center 4556 is at 3.932257 6.163839 -0.923434 ESP Fit Center 4557 is at 3.620111 6.440377 -0.923434 ESP Fit Center 4558 is at 3.250855 6.634177 -0.923434 ESP Fit Center 4559 is at 2.845950 6.733977 -0.923434 ESP Fit Center 4560 is at 2.428927 6.733977 -0.923434 ESP Fit Center 4561 is at 2.024021 6.634177 -0.923434 ESP Fit Center 4562 is at 4.077749 5.439643 -1.287478 ESP Fit Center 4563 is at 3.900258 5.828295 -1.287478 ESP Fit Center 4564 is at 3.620460 6.151198 -1.287478 ESP Fit Center 4565 is at 3.261024 6.382193 -1.287478 ESP Fit Center 4566 is at 2.851069 6.502567 -1.287478 ESP Fit Center 4567 is at 2.423807 6.502567 -1.287478 ESP Fit Center 4568 is at 2.013852 6.382193 -1.287478 ESP Fit Center 4569 is at 3.762345 5.426162 -1.591494 ESP Fit Center 4570 is at 3.554470 5.786211 -1.591494 ESP Fit Center 4571 is at 3.235988 6.053449 -1.591494 ESP Fit Center 4572 is at 2.845312 6.195644 -1.591494 ESP Fit Center 4573 is at 2.429564 6.195644 -1.591494 ESP Fit Center 4574 is at 2.038888 6.053449 -1.591494 ESP Fit Center 4575 is at 3.358887 5.433258 -1.820237 ESP Fit Center 4576 is at 3.053967 5.738178 -1.820237 ESP Fit Center 4577 is at 2.637438 5.849787 -1.820237 ESP Fit Center 4578 is at 2.220910 5.738178 -1.820237 ESP Fit Center 4579 is at 1.915990 5.433258 -1.820237 ESP Fit Center 4580 is at 2.851058 5.386731 -1.962239 ESP Fit Center 4581 is at 2.423818 5.386731 -1.962239 ESP Fit Center 4582 is at 4.136902 2.222655 0.589653 ESP Fit Center 4583 is at 4.883740 3.357123 0.225609 ESP Fit Center 4584 is at 4.685595 2.553217 0.225609 ESP Fit Center 4585 is at 4.833474 2.943140 0.225609 ESP Fit Center 4586 is at 5.025742 3.357123 -0.180207 ESP Fit Center 4587 is at 4.978810 3.773651 -0.180207 ESP Fit Center 4588 is at 4.840369 2.544953 -0.180207 ESP Fit Center 4589 is at 4.978810 2.940595 -0.180207 ESP Fit Center 4590 is at 5.073880 3.357123 -0.607447 ESP Fit Center 4591 is at 5.028991 3.769866 -0.607447 ESP Fit Center 4592 is at 4.896425 4.163310 -0.607447 ESP Fit Center 4593 is at 4.896425 2.550936 -0.607447 ESP Fit Center 4594 is at 5.028991 2.944380 -0.607447 ESP Fit Center 4595 is at 5.025742 3.357123 -1.034688 ESP Fit Center 4596 is at 4.978810 3.773651 -1.034688 ESP Fit Center 4597 is at 4.840369 4.169293 -1.034688 ESP Fit Center 4598 is at 4.617360 4.524210 -1.034688 ESP Fit Center 4599 is at 4.840369 2.544953 -1.034688 ESP Fit Center 4600 is at 4.978810 2.940595 -1.034688 ESP Fit Center 4601 is at 4.883740 3.357123 -1.440504 ESP Fit Center 4602 is at 4.833474 3.771106 -1.440504 ESP Fit Center 4603 is at 4.685595 4.161029 -1.440504 ESP Fit Center 4604 is at 4.448699 4.504232 -1.440504 ESP Fit Center 4605 is at 4.448699 2.210013 -1.440504 ESP Fit Center 4606 is at 4.685595 2.553217 -1.440504 ESP Fit Center 4607 is at 4.833474 2.943140 -1.440504 ESP Fit Center 4608 is at 4.654996 3.357123 -1.804548 ESP Fit Center 4609 is at 4.594191 3.780036 -1.804548 ESP Fit Center 4610 is at 4.416699 4.168688 -1.804548 ESP Fit Center 4611 is at 4.136902 4.491591 -1.804548 ESP Fit Center 4612 is at 3.777466 4.722586 -1.804548 ESP Fit Center 4613 is at 3.367511 1.871286 -1.804548 ESP Fit Center 4614 is at 3.777466 1.991659 -1.804548 ESP Fit Center 4615 is at 4.136902 2.222655 -1.804548 ESP Fit Center 4616 is at 4.416699 2.545558 -1.804548 ESP Fit Center 4617 is at 4.594191 2.934210 -1.804548 ESP Fit Center 4618 is at 4.350980 3.357123 -2.108564 ESP Fit Center 4619 is at 4.278786 3.766555 -2.108564 ESP Fit Center 4620 is at 4.070912 4.126604 -2.108564 ESP Fit Center 4621 is at 3.752430 4.393842 -2.108564 ESP Fit Center 4622 is at 3.361754 4.536037 -2.108564 ESP Fit Center 4623 is at 2.236848 2.587642 -2.108564 ESP Fit Center 4624 is at 2.555330 2.320404 -2.108564 ESP Fit Center 4625 is at 2.946006 2.178209 -2.108564 ESP Fit Center 4626 is at 3.361754 2.178209 -2.108564 ESP Fit Center 4627 is at 3.752430 2.320404 -2.108564 ESP Fit Center 4628 is at 4.070912 2.587642 -2.108564 ESP Fit Center 4629 is at 4.278786 2.947690 -2.108564 ESP Fit Center 4630 is at 3.986937 3.357123 -2.337308 ESP Fit Center 4631 is at 3.875328 3.773651 -2.337308 ESP Fit Center 4632 is at 3.570408 4.078571 -2.337308 ESP Fit Center 4633 is at 3.153880 4.190180 -2.337308 ESP Fit Center 4634 is at 2.737352 4.078571 -2.337308 ESP Fit Center 4635 is at 2.432432 3.773651 -2.337308 ESP Fit Center 4636 is at 2.320823 3.357123 -2.337308 ESP Fit Center 4637 is at 2.432432 2.940595 -2.337308 ESP Fit Center 4638 is at 2.737352 2.635675 -2.337308 ESP Fit Center 4639 is at 3.153880 2.524066 -2.337308 ESP Fit Center 4640 is at 3.570408 2.635675 -2.337308 ESP Fit Center 4641 is at 3.875328 2.940595 -2.337308 ESP Fit Center 4642 is at 3.581120 3.357123 -2.479309 ESP Fit Center 4643 is at 3.367500 3.727124 -2.479309 ESP Fit Center 4644 is at 2.940260 3.727124 -2.479309 ESP Fit Center 4645 is at 2.726640 3.357123 -2.479309 ESP Fit Center 4646 is at 2.940260 2.987122 -2.479309 ESP Fit Center 4647 is at 3.367500 2.987122 -2.479309 ESP Fit Center 4648 is at 3.153880 3.357123 -2.527447 ESP Fit Center 4649 is at 2.862342 3.696870 3.032266 ESP Fit Center 4650 is at 3.289583 3.696870 2.984127 ESP Fit Center 4651 is at 3.075963 4.066871 2.984127 ESP Fit Center 4652 is at 2.648722 4.066871 2.984127 ESP Fit Center 4653 is at 2.435102 3.696870 2.984127 ESP Fit Center 4654 is at 2.648722 3.326870 2.984127 ESP Fit Center 4655 is at 3.075963 3.326870 2.984127 ESP Fit Center 4656 is at 3.695399 3.696870 2.842126 ESP Fit Center 4657 is at 3.583791 4.113399 2.842126 ESP Fit Center 4658 is at 3.278871 4.418319 2.842126 ESP Fit Center 4659 is at 2.862342 4.529927 2.842126 ESP Fit Center 4660 is at 2.445814 4.418319 2.842126 ESP Fit Center 4661 is at 2.140894 4.113399 2.842126 ESP Fit Center 4662 is at 2.029286 3.696870 2.842126 ESP Fit Center 4663 is at 2.140894 3.280342 2.842126 ESP Fit Center 4664 is at 2.445814 2.975422 2.842126 ESP Fit Center 4665 is at 2.862342 2.863814 2.842126 ESP Fit Center 4666 is at 3.278871 2.975422 2.842126 ESP Fit Center 4667 is at 3.583791 3.280342 2.842126 ESP Fit Center 4668 is at 4.059443 3.696870 2.613382 ESP Fit Center 4669 is at 3.987249 4.106303 2.613382 ESP Fit Center 4670 is at 3.779375 4.466352 2.613382 ESP Fit Center 4671 is at 3.460893 4.733590 2.613382 ESP Fit Center 4672 is at 3.070217 4.875784 2.613382 ESP Fit Center 4673 is at 2.654468 4.875784 2.613382 ESP Fit Center 4674 is at 2.263792 4.733590 2.613382 ESP Fit Center 4675 is at 1.945310 4.466352 2.613382 ESP Fit Center 4676 is at 1.737436 4.106303 2.613382 ESP Fit Center 4677 is at 1.665242 3.696870 2.613382 ESP Fit Center 4678 is at 1.737436 3.287438 2.613382 ESP Fit Center 4679 is at 1.945310 2.927389 2.613382 ESP Fit Center 4680 is at 2.263792 2.660151 2.613382 ESP Fit Center 4681 is at 2.654468 2.517957 2.613382 ESP Fit Center 4682 is at 3.070217 2.517957 2.613382 ESP Fit Center 4683 is at 3.460893 2.660151 2.613382 ESP Fit Center 4684 is at 3.779375 2.927389 2.613382 ESP Fit Center 4685 is at 3.987249 3.287438 2.613382 ESP Fit Center 4686 is at 4.363459 3.696870 2.309366 ESP Fit Center 4687 is at 4.302653 4.119784 2.309366 ESP Fit Center 4688 is at 4.125162 4.508435 2.309366 ESP Fit Center 4689 is at 3.845365 4.831339 2.309366 ESP Fit Center 4690 is at 3.485929 5.062334 2.309366 ESP Fit Center 4691 is at 3.075974 5.182708 2.309366 ESP Fit Center 4692 is at 2.648711 5.182708 2.309366 ESP Fit Center 4693 is at 2.238756 5.062334 2.309366 ESP Fit Center 4694 is at 1.879320 4.831339 2.309366 ESP Fit Center 4695 is at 1.599523 4.508435 2.309366 ESP Fit Center 4696 is at 1.422032 4.119784 2.309366 ESP Fit Center 4697 is at 1.599523 2.885306 2.309366 ESP Fit Center 4698 is at 1.879320 2.562402 2.309366 ESP Fit Center 4699 is at 2.238756 2.331407 2.309366 ESP Fit Center 4700 is at 2.648711 2.211033 2.309366 ESP Fit Center 4701 is at 3.075974 2.211033 2.309366 ESP Fit Center 4702 is at 3.485929 2.331407 2.309366 ESP Fit Center 4703 is at 3.845365 2.562402 2.309366 ESP Fit Center 4704 is at 4.125162 2.885306 2.309366 ESP Fit Center 4705 is at 4.302653 3.273957 2.309366 ESP Fit Center 4706 is at 4.592203 3.696870 1.945323 ESP Fit Center 4707 is at 4.541936 4.110853 1.945323 ESP Fit Center 4708 is at 4.394058 4.500777 1.945323 ESP Fit Center 4709 is at 4.157161 4.843980 1.945323 ESP Fit Center 4710 is at 3.845015 5.120517 1.945323 ESP Fit Center 4711 is at 3.475759 5.314318 1.945323 ESP Fit Center 4712 is at 3.070854 5.414118 1.945323 ESP Fit Center 4713 is at 3.070854 1.979623 1.945323 ESP Fit Center 4714 is at 3.475759 2.079423 1.945323 ESP Fit Center 4715 is at 3.845015 2.273223 1.945323 ESP Fit Center 4716 is at 4.157161 2.549761 1.945323 ESP Fit Center 4717 is at 4.394058 2.892964 1.945323 ESP Fit Center 4718 is at 4.541936 3.282888 1.945323 ESP Fit Center 4719 is at 4.734204 3.696870 1.539506 ESP Fit Center 4720 is at 4.687273 4.113399 1.539506 ESP Fit Center 4721 is at 4.548831 4.509041 1.539506 ESP Fit Center 4722 is at 4.325823 4.863957 1.539506 ESP Fit Center 4723 is at 4.029429 5.160351 1.539506 ESP Fit Center 4724 is at 3.674513 2.010381 1.539506 ESP Fit Center 4725 is at 4.029429 2.233390 1.539506 ESP Fit Center 4726 is at 4.325823 2.529784 1.539506 ESP Fit Center 4727 is at 4.548831 2.884700 1.539506 ESP Fit Center 4728 is at 4.687273 3.280342 1.539506 ESP Fit Center 4729 is at 4.782342 3.696870 1.112266 ESP Fit Center 4730 is at 4.737454 4.109614 1.112266 ESP Fit Center 4731 is at 4.105324 2.233519 1.112266 ESP Fit Center 4732 is at 4.390841 2.534936 1.112266 ESP Fit Center 4733 is at 4.604887 2.890683 1.112266 ESP Fit Center 4734 is at 4.737454 3.284127 1.112266 ESP Fit Center 4735 is at 5.465974 0.346837 1.322268 ESP Fit Center 4736 is at 5.811693 0.381693 1.047111 ESP Fit Center 4737 is at 5.584237 0.743687 1.047111 ESP Fit Center 4738 is at 5.929162 0.734274 0.724942 ESP Fit Center 4739 is at 6.174986 0.756186 0.363697 ESP Fit Center 4740 is at 5.934460 1.099693 0.363697 ESP Fit Center 4741 is at 6.117970 1.130535 -0.027732 ESP Fit Center 4742 is at 6.249027 1.120808 -0.439705 ESP Fit Center 4743 is at 5.977257 1.439010 -0.439705 ESP Fit Center 4744 is at 6.299983 1.106687 -0.862078 ESP Fit Center 4745 is at 6.036982 1.425595 -0.862078 ESP Fit Center 4746 is at 6.249027 1.120808 -1.284451 ESP Fit Center 4747 is at 5.977257 1.439010 -1.284451 ESP Fit Center 4748 is at 5.659055 1.710780 -1.284451 ESP Fit Center 4749 is at 6.117970 1.130535 -1.696424 ESP Fit Center 4750 is at 5.830733 1.442558 -1.696424 ESP Fit Center 4751 is at 5.496056 1.703047 -1.696424 ESP Fit Center 4752 is at 5.123068 1.904898 -1.696424 ESP Fit Center 4753 is at 6.174986 0.756186 -2.087852 ESP Fit Center 4754 is at 5.934460 1.099693 -2.087852 ESP Fit Center 4755 is at 5.637939 1.396214 -2.087852 ESP Fit Center 4756 is at 5.294433 1.636740 -2.087852 ESP Fit Center 4757 is at 4.914378 1.813962 -2.087852 ESP Fit Center 4758 is at 4.509322 1.922496 -2.087852 ESP Fit Center 4759 is at 4.091574 1.959045 -2.087852 ESP Fit Center 4760 is at 4.914378 -2.707308 -2.087852 ESP Fit Center 4761 is at 5.294433 -2.530085 -2.087852 ESP Fit Center 4762 is at 6.119450 0.365166 -2.449098 ESP Fit Center 4763 is at 5.929162 0.734274 -2.449098 ESP Fit Center 4764 is at 5.672459 1.060698 -2.449098 ESP Fit Center 4765 is at 5.358619 1.332643 -2.449098 ESP Fit Center 4766 is at 4.998984 1.540278 -2.449098 ESP Fit Center 4767 is at 4.606553 1.676100 -2.449098 ESP Fit Center 4768 is at 4.195509 1.735199 -2.449098 ESP Fit Center 4769 is at 3.780709 1.715439 -2.449098 ESP Fit Center 4770 is at 4.606553 -2.569446 -2.449098 ESP Fit Center 4771 is at 4.998984 -2.433624 -2.449098 ESP Fit Center 4772 is at 5.358619 -2.225989 -2.449098 ESP Fit Center 4773 is at 5.952895 -0.021839 -2.771266 ESP Fit Center 4774 is at 5.811693 0.381693 -2.771266 ESP Fit Center 4775 is at 5.584237 0.743687 -2.771266 ESP Fit Center 4776 is at 5.281933 1.045991 -2.771266 ESP Fit Center 4777 is at 4.919940 1.273446 -2.771266 ESP Fit Center 4778 is at 4.516408 1.414648 -2.771266 ESP Fit Center 4779 is at 4.516408 -2.307994 -2.771266 ESP Fit Center 4780 is at 4.919940 -2.166792 -2.771266 ESP Fit Center 4781 is at 5.281933 -1.939336 -2.771266 ESP Fit Center 4782 is at 5.584237 -1.637032 -2.771266 ESP Fit Center 4783 is at 5.678594 -0.446673 -3.046424 ESP Fit Center 4784 is at 5.624518 -0.035922 -3.046424 ESP Fit Center 4785 is at 5.465974 0.346837 -3.046424 ESP Fit Center 4786 is at 5.213767 -1.568866 -3.046424 ESP Fit Center 4787 is at 5.465974 -1.240183 -3.046424 ESP Fit Center 4788 is at 5.624518 -0.857424 -3.046424 ESP Fit Center 4789 is at 3.711173 -1.466800 3.825187 ESP Fit Center 4790 is at 4.125951 -1.466800 3.790818 ESP Fit Center 4791 is at 3.918562 -1.107592 3.790818 ESP Fit Center 4792 is at 3.503783 -1.107592 3.790818 ESP Fit Center 4793 is at 3.296394 -1.466800 3.790818 ESP Fit Center 4794 is at 3.503783 -1.826009 3.790818 ESP Fit Center 4795 is at 3.918562 -1.826009 3.790818 ESP Fit Center 4796 is at 4.529415 -1.466800 3.688647 ESP Fit Center 4797 is at 4.419792 -1.057679 3.688647 ESP Fit Center 4798 is at 4.120294 -0.758181 3.688647 ESP Fit Center 4799 is at 3.711173 -0.648558 3.688647 ESP Fit Center 4800 is at 3.302051 -0.758181 3.688647 ESP Fit Center 4801 is at 3.002554 -1.057679 3.688647 ESP Fit Center 4802 is at 2.892930 -1.466800 3.688647 ESP Fit Center 4803 is at 3.002554 -1.875922 3.688647 ESP Fit Center 4804 is at 3.302051 -2.175419 3.688647 ESP Fit Center 4805 is at 3.711173 -2.285043 3.688647 ESP Fit Center 4806 is at 4.120294 -2.175419 3.688647 ESP Fit Center 4807 is at 4.419792 -1.875922 3.688647 ESP Fit Center 4808 is at 4.910560 -1.466800 3.521461 ESP Fit Center 4809 is at 4.838228 -1.056586 3.521461 ESP Fit Center 4810 is at 4.629957 -0.695849 3.521461 ESP Fit Center 4811 is at 4.310866 -0.428100 3.521461 ESP Fit Center 4812 is at 3.919444 -0.285634 3.521461 ESP Fit Center 4813 is at 3.502901 -0.285634 3.521461 ESP Fit Center 4814 is at 3.111479 -0.428100 3.521461 ESP Fit Center 4815 is at 2.792389 -0.695849 3.521461 ESP Fit Center 4816 is at 2.584117 -1.056586 3.521461 ESP Fit Center 4817 is at 2.511785 -1.466800 3.521461 ESP Fit Center 4818 is at 2.584117 -1.877015 3.521461 ESP Fit Center 4819 is at 2.792389 -2.237752 3.521461 ESP Fit Center 4820 is at 3.111479 -2.505500 3.521461 ESP Fit Center 4821 is at 3.502901 -2.647966 3.521461 ESP Fit Center 4822 is at 3.919444 -2.647966 3.521461 ESP Fit Center 4823 is at 4.310866 -2.505500 3.521461 ESP Fit Center 4824 is at 4.629957 -2.237752 3.521461 ESP Fit Center 4825 is at 4.838228 -1.877015 3.521461 ESP Fit Center 4826 is at 5.033657 -0.662580 3.293821 ESP Fit Center 4827 is at 4.767639 -0.335601 3.293821 ESP Fit Center 4828 is at 4.423269 -0.092517 3.293821 ESP Fit Center 4829 is at 4.026085 0.048642 3.293821 ESP Fit Center 4830 is at 3.605546 0.077407 3.293821 ESP Fit Center 4831 is at 3.192841 -0.008354 3.293821 ESP Fit Center 4832 is at 2.818578 -0.202281 3.293821 ESP Fit Center 4833 is at 2.510514 -0.489992 3.293821 ESP Fit Center 4834 is at 2.291498 -0.850149 3.293821 ESP Fit Center 4835 is at 2.177773 -1.256039 3.293821 ESP Fit Center 4836 is at 2.177773 -1.677561 3.293821 ESP Fit Center 4837 is at 2.291498 -2.083452 3.293821 ESP Fit Center 4838 is at 2.510514 -2.443608 3.293821 ESP Fit Center 4839 is at 2.818578 -2.731319 3.293821 ESP Fit Center 4840 is at 3.192841 -2.925247 3.293821 ESP Fit Center 4841 is at 3.605546 -3.011008 3.293821 ESP Fit Center 4842 is at 4.026085 -2.982242 3.293821 ESP Fit Center 4843 is at 4.423269 -2.841083 3.293821 ESP Fit Center 4844 is at 5.131438 -0.275056 3.011937 ESP Fit Center 4845 is at 4.818319 0.020356 3.011937 ESP Fit Center 4846 is at 4.445514 0.235595 3.011937 ESP Fit Center 4847 is at 4.033121 0.359057 3.011937 ESP Fit Center 4848 is at 3.603371 0.384087 3.011937 ESP Fit Center 4849 is at 3.179432 0.309336 3.011937 ESP Fit Center 4850 is at 2.784160 0.138832 3.011937 ESP Fit Center 4851 is at 2.438864 -0.118232 3.011937 ESP Fit Center 4852 is at 2.162158 -0.447997 3.011937 ESP Fit Center 4853 is at 1.968960 -0.832687 3.011937 ESP Fit Center 4854 is at 1.869685 -1.251561 3.011937 ESP Fit Center 4855 is at 1.869685 -1.682039 3.011937 ESP Fit Center 4856 is at 1.968960 -2.100914 3.011937 ESP Fit Center 4857 is at 2.162158 -2.485603 3.011937 ESP Fit Center 4858 is at 2.438864 -2.815369 3.011937 ESP Fit Center 4859 is at 2.784160 -3.072432 3.011937 ESP Fit Center 4860 is at 3.179432 -3.242936 3.011937 ESP Fit Center 4861 is at 3.603371 -3.317688 3.011937 ESP Fit Center 4862 is at 4.033121 -3.292658 3.011937 ESP Fit Center 4863 is at 4.445514 -3.169195 3.011937 ESP Fit Center 4864 is at 5.164658 0.062266 2.683497 ESP Fit Center 4865 is at 4.827107 0.323550 2.683497 ESP Fit Center 4866 is at 4.443868 0.511537 2.683497 ESP Fit Center 4867 is at 4.030634 0.618531 2.683497 ESP Fit Center 4868 is at 3.604320 0.640152 2.683497 ESP Fit Center 4869 is at 3.182381 0.575513 2.683497 ESP Fit Center 4870 is at 2.782091 0.427262 2.683497 ESP Fit Center 4871 is at 2.419837 0.201467 2.683497 ESP Fit Center 4872 is at 2.110451 -0.092626 2.683497 ESP Fit Center 4873 is at 1.866599 -0.442978 2.683497 ESP Fit Center 4874 is at 1.698264 -0.835246 2.683497 ESP Fit Center 4875 is at 1.612337 -1.253370 2.683497 ESP Fit Center 4876 is at 1.612337 -1.680231 2.683497 ESP Fit Center 4877 is at 1.698264 -2.098355 2.683497 ESP Fit Center 4878 is at 1.866599 -2.490622 2.683497 ESP Fit Center 4879 is at 2.110451 -2.840974 2.683497 ESP Fit Center 4880 is at 2.419837 -3.135068 2.683497 ESP Fit Center 4881 is at 2.782091 -3.360862 2.683497 ESP Fit Center 4882 is at 3.182381 -3.509113 2.683497 ESP Fit Center 4883 is at 3.604320 -3.573752 2.683497 ESP Fit Center 4884 is at 4.030634 -3.552132 2.683497 ESP Fit Center 4885 is at 4.443868 -3.445138 2.683497 ESP Fit Center 4886 is at 5.416620 0.087920 2.317460 ESP Fit Center 4887 is at 5.101902 0.374823 2.317460 ESP Fit Center 4888 is at 4.739825 0.599012 2.317460 ESP Fit Center 4889 is at 4.342718 0.752852 2.317460 ESP Fit Center 4890 is at 3.924105 0.831104 2.317460 ESP Fit Center 4891 is at 3.498240 0.831104 2.317460 ESP Fit Center 4892 is at 3.079627 0.752852 2.317460 ESP Fit Center 4893 is at 2.005726 -3.021521 2.317460 ESP Fit Center 4894 is at 2.320443 -3.308424 2.317460 ESP Fit Center 4895 is at 2.682520 -3.532612 2.317460 ESP Fit Center 4896 is at 3.079627 -3.686452 2.317460 ESP Fit Center 4897 is at 3.498240 -3.764705 2.317460 ESP Fit Center 4898 is at 3.924105 -3.764705 2.317460 ESP Fit Center 4899 is at 4.342718 -3.686452 2.317460 ESP Fit Center 4900 is at 5.281431 0.404561 1.923811 ESP Fit Center 4901 is at 4.932617 0.648803 1.923811 ESP Fit Center 4902 is at 4.546690 0.828764 1.923811 ESP Fit Center 4903 is at 4.135376 0.938975 1.923811 ESP Fit Center 4904 is at 3.711173 0.976088 1.923811 ESP Fit Center 4905 is at 2.875655 -3.762365 1.923811 ESP Fit Center 4906 is at 3.286969 -3.872576 1.923811 ESP Fit Center 4907 is at 3.711173 -3.909689 1.923811 ESP Fit Center 4908 is at 4.135376 -3.872576 1.923811 ESP Fit Center 4909 is at 5.370386 0.418433 1.513287 ESP Fit Center 4910 is at 5.027914 0.671724 1.513287 ESP Fit Center 4911 is at 2.975780 -3.868111 1.513287 ESP Fit Center 4912 is at 3.392181 -3.957852 1.513287 ESP Fit Center 4913 is at 3.817759 -3.975930 1.513287 ESP Fit Center 4914 is at 4.240271 -3.921826 1.513287 ESP Fit Center 4915 is at 3.817759 -3.975930 1.097087 ESP Fit Center 4916 is at 4.240271 -3.921826 1.097087 ESP Fit Center 4917 is at -2.806588 -1.259762 2.660070 ESP Fit Center 4918 is at -2.384215 -1.259762 2.626828 ESP Fit Center 4919 is at -2.595402 -0.893976 2.626828 ESP Fit Center 4920 is at -3.017775 -0.893976 2.626828 ESP Fit Center 4921 is at -3.228962 -1.259762 2.626828 ESP Fit Center 4922 is at -3.017775 -1.625548 2.626828 ESP Fit Center 4923 is at -2.595402 -1.625548 2.626828 ESP Fit Center 4924 is at -1.972243 -1.259762 2.527922 ESP Fit Center 4925 is at -3.640934 -1.259762 2.527922 ESP Fit Center 4926 is at -3.529153 -1.676935 2.527922 ESP Fit Center 4927 is at -3.223761 -1.982327 2.527922 ESP Fit Center 4928 is at -2.806588 -2.094108 2.527922 ESP Fit Center 4929 is at -2.389416 -1.982327 2.527922 ESP Fit Center 4930 is at -3.958440 -1.679001 2.365787 ESP Fit Center 4931 is at -3.745586 -2.047675 2.365787 ESP Fit Center 4932 is at -3.419476 -2.321314 2.365787 ESP Fit Center 4933 is at -3.019442 -2.466914 2.365787 ESP Fit Center 4934 is at -4.180988 -2.053272 2.144416 ESP Fit Center 4935 is at -3.928781 -2.381955 2.144416 ESP Fit Center 4936 is at -3.600099 -2.634162 2.144416 ESP Fit Center 4937 is at -3.217340 -2.792706 2.144416 ESP Fit Center 4938 is at -4.299252 -2.450121 1.869258 ESP Fit Center 4939 is at -3.996948 -2.752425 1.869258 ESP Fit Center 4940 is at -3.634954 -2.979881 1.869258 ESP Fit Center 4941 is at -4.523600 -2.610035 1.547090 ESP Fit Center 4942 is at -4.237031 -2.910580 1.547090 ESP Fit Center 4943 is at -3.898761 -3.151461 1.547090 ESP Fit Center 4944 is at -4.649475 -2.806127 1.185844 ESP Fit Center 4945 is at -4.352954 -3.102649 1.185844 ESP Fit Center 4946 is at -4.009447 -3.343175 1.185844 ESP Fit Center 4947 is at -4.832985 -2.836970 0.794416 ESP Fit Center 4948 is at -4.545748 -3.148993 0.794416 ESP Fit Center 4949 is at -4.211071 -3.409482 0.794416 ESP Fit Center 4950 is at -4.692272 -3.145445 0.382443 ESP Fit Center 4951 is at -4.374070 -3.417215 0.382443 ESP Fit Center 4952 is at -4.889609 -2.977617 -0.039930 ESP Fit Center 4953 is at -4.602968 -3.275456 -0.039930 ESP Fit Center 4954 is at -4.274221 -3.526049 -0.039930 ESP Fit Center 4955 is at -4.964041 -2.827243 -0.462303 ESP Fit Center 4956 is at -4.692272 -3.145445 -0.462303 ESP Fit Center 4957 is at -4.374070 -3.417215 -0.462303 ESP Fit Center 4958 is at -4.832985 -2.836970 -0.874276 ESP Fit Center 4959 is at -4.545748 -3.148993 -0.874276 ESP Fit Center 4960 is at -4.211071 -3.409482 -0.874276 ESP Fit Center 4961 is at -4.649475 -2.806127 -1.265705 ESP Fit Center 4962 is at -4.352954 -3.102649 -1.265705 ESP Fit Center 4963 is at -4.523600 -2.610035 -1.626951 ESP Fit Center 4964 is at -4.237031 -2.910580 -1.626951 ESP Fit Center 4965 is at -3.898761 -3.151461 -1.626951 ESP Fit Center 4966 is at -4.299252 -2.450121 -1.949119 ESP Fit Center 4967 is at -3.996948 -2.752425 -1.949119 ESP Fit Center 4968 is at -3.634954 -2.979881 -1.949119 ESP Fit Center 4969 is at -4.180988 -2.053272 -2.224276 ESP Fit Center 4970 is at -3.928781 -2.381955 -2.224276 ESP Fit Center 4971 is at -3.600099 -2.634162 -2.224276 ESP Fit Center 4972 is at -3.217340 -2.792706 -2.224276 ESP Fit Center 4973 is at -1.867591 -0.471849 -2.445648 ESP Fit Center 4974 is at -3.958440 -1.679001 -2.445648 ESP Fit Center 4975 is at -3.745586 -2.047675 -2.445648 ESP Fit Center 4976 is at -3.419476 -2.321314 -2.445648 ESP Fit Center 4977 is at -3.019442 -2.466914 -2.445648 ESP Fit Center 4978 is at -2.084024 -0.842589 -2.607783 ESP Fit Center 4979 is at -2.389416 -0.537197 -2.607783 ESP Fit Center 4980 is at -2.806588 -0.425416 -2.607783 ESP Fit Center 4981 is at -3.223761 -0.537197 -2.607783 ESP Fit Center 4982 is at -3.529153 -0.842589 -2.607783 ESP Fit Center 4983 is at -3.640934 -1.259762 -2.607783 ESP Fit Center 4984 is at -3.529153 -1.676935 -2.607783 ESP Fit Center 4985 is at -3.223761 -1.982327 -2.607783 ESP Fit Center 4986 is at -2.806588 -2.094108 -2.607783 ESP Fit Center 4987 is at -2.384215 -1.259762 -2.706689 ESP Fit Center 4988 is at -2.595402 -0.893976 -2.706689 ESP Fit Center 4989 is at -3.017775 -0.893976 -2.706689 ESP Fit Center 4990 is at -3.228962 -1.259762 -2.706689 ESP Fit Center 4991 is at -3.017775 -1.625548 -2.706689 ESP Fit Center 4992 is at -2.595402 -1.625548 -2.706689 ESP Fit Center 4993 is at -2.806588 -1.259762 -2.739930 ESP Fit Center 4994 is at -1.579750 -2.008101 2.643417 ESP Fit Center 4995 is at -1.157377 -2.008101 2.610175 ESP Fit Center 4996 is at -1.368564 -1.642315 2.610175 ESP Fit Center 4997 is at -1.790937 -1.642315 2.610175 ESP Fit Center 4998 is at -2.002123 -2.008101 2.610175 ESP Fit Center 4999 is at -1.790937 -2.373887 2.610175 ESP Fit Center 5000 is at -1.368564 -2.373887 2.610175 ESP Fit Center 5001 is at -1.579750 -1.173755 2.511269 ESP Fit Center 5002 is at -2.302315 -2.425274 2.511269 ESP Fit Center 5003 is at -0.857185 -2.425274 2.511269 ESP Fit Center 5004 is at -1.162577 -1.285536 -2.624436 ESP Fit Center 5005 is at -1.579750 -1.173755 -2.624436 ESP Fit Center 5006 is at -1.996923 -1.285536 -2.624436 ESP Fit Center 5007 is at -2.414096 -2.008101 -2.624436 ESP Fit Center 5008 is at -2.302315 -2.425274 -2.624436 ESP Fit Center 5009 is at -0.857185 -2.425274 -2.624436 ESP Fit Center 5010 is at -1.157377 -2.008101 -2.723342 ESP Fit Center 5011 is at -1.368564 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Fit Center 5066 is at -0.849103 1.350268 -2.214820 ESP Fit Center 5067 is at -1.177785 1.098060 -2.214820 ESP Fit Center 5068 is at -1.429992 0.769378 -2.214820 ESP Fit Center 5069 is at -0.268446 1.183020 -2.436191 ESP Fit Center 5070 is at -0.668480 1.037419 -2.436191 ESP Fit Center 5071 is at -0.994590 0.763780 -2.436191 ESP Fit Center 5072 is at -1.207444 0.395107 -2.436191 ESP Fit Center 5073 is at -1.281367 -0.024132 -2.436191 ESP Fit Center 5074 is at -1.207444 -0.443372 -2.436191 ESP Fit Center 5075 is at 0.361580 0.698432 -2.598326 ESP Fit Center 5076 is at -0.055592 0.810214 -2.598326 ESP Fit Center 5077 is at -0.472765 0.698432 -2.598326 ESP Fit Center 5078 is at -0.778157 0.393041 -2.598326 ESP Fit Center 5079 is at -0.889938 -0.024132 -2.598326 ESP Fit Center 5080 is at -0.778157 -0.441305 -2.598326 ESP Fit Center 5081 is at 0.361580 -0.746697 -2.598326 ESP Fit Center 5082 is at 0.366781 -0.024132 -2.697232 ESP Fit Center 5083 is at 0.155594 0.341654 -2.697232 ESP Fit Center 5084 is at -0.266779 0.341654 -2.697232 ESP Fit Center 5085 is at -0.477966 -0.024132 -2.697232 ESP Fit Center 5086 is at -0.266779 -0.389918 -2.697232 ESP Fit Center 5087 is at 0.155594 -0.389918 -2.697232 ESP Fit Center 5088 is at -0.055592 -0.024132 -2.730474 ESP Fit Center 5089 is at 1.208119 0.119107 2.663225 ESP Fit Center 5090 is at 1.630492 0.119107 2.629984 ESP Fit Center 5091 is at 1.419305 0.484892 2.629984 ESP Fit Center 5092 is at 0.996932 0.484892 2.629984 ESP Fit Center 5093 is at 0.785746 0.119107 2.629984 ESP Fit Center 5094 is at 0.996932 -0.246679 2.629984 ESP Fit Center 5095 is at 1.419305 -0.246679 2.629984 ESP Fit Center 5096 is at 2.042465 0.119107 2.531078 ESP Fit Center 5097 is at 0.790946 0.841671 2.531078 ESP Fit Center 5098 is at 0.790946 -0.603458 2.531078 ESP Fit Center 5099 is at 1.930683 0.536280 -2.604627 ESP Fit Center 5100 is at 0.790946 0.841671 -2.604627 ESP Fit Center 5101 is at 0.790946 -0.603458 -2.604627 ESP Fit Center 5102 is at 1.630492 0.119107 -2.703533 ESP Fit Center 5103 is at 1.419305 0.484892 -2.703533 ESP Fit Center 5104 is at 0.996932 0.484892 -2.703533 ESP Fit Center 5105 is at 0.785746 0.119107 -2.703533 ESP Fit Center 5106 is at 0.996932 -0.246679 -2.703533 ESP Fit Center 5107 is at 1.419305 -0.246679 -2.703533 ESP Fit Center 5108 is at 1.208119 0.119107 -2.736775 ESP Fit Center 5109 is at 1.618060 -0.765058 2.604734 ESP Fit Center 5110 is at 1.406874 -1.130844 2.604734 ESP Fit Center 5111 is at 0.994901 -1.130844 2.505828 ESP Fit Center 5112 is at 2.042100 -2.337996 -2.467742 ESP Fit Center 5113 is at 1.106682 -0.713671 -2.629877 ESP Fit Center 5114 is at 0.994901 -1.130844 -2.629877 ESP Fit Center 5115 is at 1.829247 -1.965190 -2.629877 ESP Fit Center 5116 is at 2.246420 -1.853409 -2.629877 ESP Fit Center 5117 is at 1.618060 -0.765058 -2.728783 ESP Fit Center 5118 is at 1.406874 -1.130844 -2.728783 ESP Fit Center 5119 is at 1.618060 -1.496630 -2.728783 ESP Fit Center 5120 is at 2.040433 -1.496630 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Center 5139 is at 1.213646 -2.023188 -2.741476 ESP Fit Center 5140 is at 1.002459 -1.657403 -2.741476 ESP Fit Center 5141 is at 0.580086 -1.657403 -2.741476 ESP Fit Center 5142 is at 0.368900 -2.023188 -2.741476 ESP Fit Center 5143 is at 0.580086 -2.388974 -2.741476 ESP Fit Center 5144 is at 1.002459 -2.388974 -2.741476 ESP Fit Center 5145 is at 0.791273 -2.023188 -2.774718 ESP Fit Center 5146 is at 0.807593 -3.383543 2.595636 ESP Fit Center 5147 is at 1.229966 -3.383543 2.562394 ESP Fit Center 5148 is at 1.018779 -3.017757 2.562394 ESP Fit Center 5149 is at 0.596406 -3.017757 2.562394 ESP Fit Center 5150 is at 0.385220 -3.383543 2.562394 ESP Fit Center 5151 is at 0.596406 -3.749328 2.562394 ESP Fit Center 5152 is at 1.018779 -3.749328 2.562394 ESP Fit Center 5153 is at 1.641939 -3.383543 2.463489 ESP Fit Center 5154 is at 1.530157 -2.966370 2.463489 ESP Fit Center 5155 is at 0.085028 -2.966370 2.463489 ESP Fit Center 5156 is at 0.807593 -4.217888 2.463489 ESP Fit Center 5157 is at 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ESP Fit Center 5176 is at 1.715003 -5.370494 1.482656 ESP Fit Center 5177 is at 2.074638 -5.162858 1.482656 ESP Fit Center 5178 is at 2.388478 -4.890914 1.482656 ESP Fit Center 5179 is at 2.645181 -4.564489 1.482656 ESP Fit Center 5180 is at 2.835469 -4.195382 1.482656 ESP Fit Center 5181 is at 1.630397 -5.644178 1.121410 ESP Fit Center 5182 is at 2.010451 -5.466955 1.121410 ESP Fit Center 5183 is at 2.353958 -5.226429 1.121410 ESP Fit Center 5184 is at 2.650479 -4.929908 1.121410 ESP Fit Center 5185 is at 2.891005 -4.586401 1.121410 ESP Fit Center 5186 is at 3.068228 -4.206346 1.121410 ESP Fit Center 5187 is at 1.839087 -5.735114 0.729982 ESP Fit Center 5188 is at 2.212075 -5.533263 0.729982 ESP Fit Center 5189 is at 2.546752 -5.272773 0.729982 ESP Fit Center 5190 is at 2.833989 -4.960750 0.729982 ESP Fit Center 5191 is at 3.065952 -4.605705 0.729982 ESP Fit Center 5192 is at 1.631666 -5.919781 0.318009 ESP Fit Center 5193 is at 2.018276 -5.759642 0.318009 ESP Fit Center 5194 is at 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-2.288710 ESP Fit Center 5231 is at 1.601103 -4.757942 -2.288710 ESP Fit Center 5232 is at 1.929785 -4.505735 -2.288710 ESP Fit Center 5233 is at 2.181992 -4.177053 -2.288710 ESP Fit Center 5234 is at 2.340536 -3.794294 -2.288710 ESP Fit Center 5235 is at 2.033367 -3.383543 -2.510082 ESP Fit Center 5236 is at 1.959444 -2.964303 -2.510082 ESP Fit Center 5237 is at 1.020446 -4.590695 -2.510082 ESP Fit Center 5238 is at 1.420480 -4.445094 -2.510082 ESP Fit Center 5239 is at 1.746590 -4.171455 -2.510082 ESP Fit Center 5240 is at 1.959444 -3.802782 -2.510082 ESP Fit Center 5241 is at 1.641939 -3.383543 -2.672217 ESP Fit Center 5242 is at 1.530157 -2.966370 -2.672217 ESP Fit Center 5243 is at 1.224766 -2.660978 -2.672217 ESP Fit Center 5244 is at 0.390420 -2.660978 -2.672217 ESP Fit Center 5245 is at 0.085028 -2.966370 -2.672217 ESP Fit Center 5246 is at 0.807593 -4.217888 -2.672217 ESP Fit Center 5247 is at 1.224766 -4.106107 -2.672217 ESP Fit Center 5248 is at 1.530157 -3.800716 -2.672217 ESP Fit Center 5249 is at 1.229966 -3.383543 -2.771123 ESP Fit Center 5250 is at 1.018779 -3.017757 -2.771123 ESP Fit Center 5251 is at 0.596406 -3.017757 -2.771123 ESP Fit Center 5252 is at 0.385220 -3.383543 -2.771123 ESP Fit Center 5253 is at 0.596406 -3.749328 -2.771123 ESP Fit Center 5254 is at 1.018779 -3.749328 -2.771123 ESP Fit Center 5255 is at 0.807593 -3.383543 -2.804364 ESP Fit Center 5256 is at -0.318537 -4.009165 2.585721 ESP Fit Center 5257 is at 0.103836 -4.009165 2.552479 ESP Fit Center 5258 is at -0.107351 -3.643379 2.552479 ESP Fit Center 5259 is at -0.529724 -3.643379 2.552479 ESP Fit Center 5260 is at -0.740910 -4.009165 2.552479 ESP Fit Center 5261 is at -0.529724 -4.374950 2.552479 ESP Fit Center 5262 is at -0.107351 -4.374950 2.552479 ESP Fit Center 5263 is at -0.318537 -3.174819 2.453573 ESP Fit Center 5264 is at -1.041102 -4.426338 2.453573 ESP Fit Center 5265 is at -0.735710 -4.731729 2.453573 ESP Fit Center 5266 is at -0.318537 -4.843510 2.453573 ESP Fit Center 5267 is at 0.098636 -4.731729 2.453573 ESP Fit Center 5268 is at 0.404027 -4.426338 2.453573 ESP Fit Center 5269 is at -1.257535 -4.797077 2.291438 ESP Fit Center 5270 is at -0.931425 -5.070716 2.291438 ESP Fit Center 5271 is at -0.531391 -5.216317 2.291438 ESP Fit Center 5272 is at -0.105684 -5.216317 2.291438 ESP Fit Center 5273 is at 0.294350 -5.070716 2.291438 ESP Fit Center 5274 is at 0.620460 -4.797077 2.291438 ESP Fit Center 5275 is at -1.440730 -5.131357 2.070066 ESP Fit Center 5276 is at -1.112047 -5.383564 2.070066 ESP Fit Center 5277 is at -0.729288 -5.542108 2.070066 ESP Fit Center 5278 is at -0.318537 -5.596185 2.070066 ESP Fit Center 5279 is at 0.092214 -5.542108 2.070066 ESP Fit Center 5280 is at 0.474973 -5.383564 2.070066 ESP Fit Center 5281 is at 0.803655 -5.131357 2.070066 ESP Fit Center 5282 is at -1.811201 -5.199524 1.794909 ESP Fit Center 5283 is at -1.508897 -5.501828 1.794909 ESP Fit Center 5284 is at -1.146903 -5.729284 1.794909 ESP Fit Center 5285 is at 0.509828 -5.729284 1.794909 ESP Fit Center 5286 is at 0.871822 -5.501828 1.794909 ESP Fit Center 5287 is at -1.748980 -5.659983 1.472741 ESP Fit Center 5288 is at 0.948508 -5.788480 1.472741 ESP Fit Center 5289 is at -1.748980 -5.659983 -1.701300 ESP Fit Center 5290 is at 1.262348 -5.516536 -1.701300 ESP Fit Center 5291 is at -1.811201 -5.199524 -2.023468 ESP Fit Center 5292 is at -1.508897 -5.501828 -2.023468 ESP Fit Center 5293 is at -1.146903 -5.729284 -2.023468 ESP Fit Center 5294 is at 0.509828 -5.729284 -2.023468 ESP Fit Center 5295 is at 0.871822 -5.501828 -2.023468 ESP Fit Center 5296 is at -1.440730 -5.131357 -2.298625 ESP Fit Center 5297 is at -1.112047 -5.383564 -2.298625 ESP Fit Center 5298 is at -0.729288 -5.542108 -2.298625 ESP Fit Center 5299 is at -0.318537 -5.596185 -2.298625 ESP Fit Center 5300 is at 0.092214 -5.542108 -2.298625 ESP Fit Center 5301 is at 0.474973 -5.383564 -2.298625 ESP Fit Center 5302 is at 0.803655 -5.131357 -2.298625 ESP Fit Center 5303 is at -1.257535 -4.797077 -2.519997 ESP Fit Center 5304 is at -0.931425 -5.070716 -2.519997 ESP Fit Center 5305 is at -0.531391 -5.216317 -2.519997 ESP Fit Center 5306 is at -0.105684 -5.216317 -2.519997 ESP Fit Center 5307 is at 0.294350 -5.070716 -2.519997 ESP Fit Center 5308 is at 0.620460 -4.797077 -2.519997 ESP Fit Center 5309 is at -0.318537 -3.174819 -2.682132 ESP Fit Center 5310 is at -0.735710 -3.286600 -2.682132 ESP Fit Center 5311 is at -1.152883 -4.009165 -2.682132 ESP Fit Center 5312 is at -1.041102 -4.426338 -2.682132 ESP Fit Center 5313 is at -0.735710 -4.731729 -2.682132 ESP Fit Center 5314 is at -0.318537 -4.843510 -2.682132 ESP Fit Center 5315 is at 0.098636 -4.731729 -2.682132 ESP Fit Center 5316 is at 0.404027 -4.426338 -2.682132 ESP Fit Center 5317 is at 0.103836 -4.009165 -2.781038 ESP Fit Center 5318 is at -0.107351 -3.643379 -2.781038 ESP Fit Center 5319 is at -0.529724 -3.643379 -2.781038 ESP Fit Center 5320 is at -0.740910 -4.009165 -2.781038 ESP Fit Center 5321 is at -0.529724 -4.374950 -2.781038 ESP Fit Center 5322 is at -0.107351 -4.374950 -2.781038 ESP Fit Center 5323 is at -0.318537 -4.009165 -2.814279 ESP Fit Center 5324 is at -1.579498 -3.284808 2.604719 ESP Fit Center 5325 is at -1.157125 -3.284808 2.571478 ESP Fit Center 5326 is at -1.368312 -2.919022 2.571478 ESP Fit Center 5327 is at -1.790685 -2.919022 2.571478 ESP Fit Center 5328 is at -2.001871 -3.284808 2.571478 ESP Fit Center 5329 is at -1.790685 -3.650594 2.571478 ESP Fit Center 5330 is at -1.368312 -3.650594 2.571478 ESP Fit Center 5331 is at -0.745152 -3.284808 2.472572 ESP Fit Center 5332 is at -0.856934 -2.867635 2.472572 ESP Fit Center 5333 is at -2.302063 -2.867635 2.472572 ESP Fit Center 5334 is at -2.413844 -3.284808 2.472572 ESP Fit Center 5335 is at -2.302063 -3.701981 2.472572 ESP Fit Center 5336 is at -1.996671 -4.007373 2.472572 ESP Fit Center 5337 is at -1.579498 -4.119154 2.472572 ESP Fit Center 5338 is at -1.162325 -4.007373 2.472572 ESP Fit Center 5339 is at -2.731349 -2.865568 2.310437 ESP Fit Center 5340 is at -2.805273 -3.284808 2.310437 ESP Fit Center 5341 is at -2.731349 -3.704047 2.310437 ESP Fit Center 5342 is at -2.518496 -4.072720 2.310437 ESP Fit Center 5343 is at -2.192385 -4.346360 2.310437 ESP Fit Center 5344 is at -1.792352 -4.491960 2.310437 ESP Fit Center 5345 is at -3.166518 -3.284808 2.089065 ESP Fit Center 5346 is at -3.112442 -3.695559 2.089065 ESP Fit Center 5347 is at -2.953898 -4.078318 2.089065 ESP Fit Center 5348 is at -2.701691 -4.407001 2.089065 ESP Fit Center 5349 is at -2.373008 -4.659208 2.089065 ESP Fit Center 5350 is at -1.990249 -4.817752 2.089065 ESP Fit Center 5351 is at -3.488687 -3.284808 1.813908 ESP Fit Center 5352 is at -3.440819 -3.709642 1.813908 ESP Fit Center 5353 is at -3.299617 -4.113174 1.813908 ESP Fit Center 5354 is at -3.072162 -4.475167 1.813908 ESP Fit Center 5355 is at -2.769858 -4.777471 1.813908 ESP Fit Center 5356 is at -2.407864 -5.004927 1.813908 ESP Fit Center 5357 is at -2.004333 -5.146129 1.813908 ESP Fit Center 5358 is at -3.753953 -3.492443 1.491739 ESP Fit Center 5359 is at -3.675363 -3.900209 1.491739 ESP Fit Center 5360 is at -3.521022 -4.285733 1.491739 ESP Fit Center 5361 is at -3.296510 -4.635081 1.491739 ESP Fit Center 5362 is at -3.009941 -4.935626 1.491739 ESP Fit Center 5363 is at -2.671671 -5.176507 1.491739 ESP Fit Center 5364 is at -2.293928 -5.349017 1.491739 ESP Fit Center 5365 is at -3.948668 -3.702556 1.130494 ESP Fit Center 5366 is at -3.840133 -4.107612 1.130494 ESP Fit Center 5367 is at -3.662911 -4.487667 1.130494 ESP Fit Center 5368 is at -3.422385 -4.831173 1.130494 ESP Fit Center 5369 is at -3.125864 -5.127694 1.130494 ESP Fit Center 5370 is at -2.782357 -5.368220 1.130494 ESP Fit Center 5371 is at -2.402302 -5.545443 1.130494 ESP Fit Center 5372 is at -4.112329 -3.707463 0.739065 ESP Fit Center 5373 is at -4.008218 -4.118588 0.739065 ESP Fit Center 5374 is at -3.837857 -4.506971 0.739065 ESP Fit Center 5375 is at -3.605895 -4.862016 0.739065 ESP Fit Center 5376 is at -3.318658 -5.174038 0.739065 ESP Fit Center 5377 is at -2.983981 -5.434528 0.739065 ESP Fit Center 5378 is at -2.610993 -5.636379 0.739065 ESP Fit Center 5379 is at -2.209869 -5.774085 0.739065 ESP Fit Center 5380 is at -4.213425 -3.701981 0.327092 ESP Fit Center 5381 is at -4.115736 -4.108882 0.327092 ESP Fit Center 5382 is at -3.955598 -4.495491 0.327092 ESP Fit Center 5383 is at -3.736951 -4.852289 0.327092 ESP Fit Center 5384 is at -3.465181 -5.170491 0.327092 ESP Fit Center 5385 is at -3.146980 -5.442261 0.327092 ESP Fit Center 5386 is at -2.790181 -5.660907 0.327092 ESP Fit Center 5387 is at -2.403572 -5.821046 0.327092 ESP Fit Center 5388 is at -4.208476 -3.900012 -0.095281 ESP Fit Center 5389 is at -4.083755 -4.294114 -0.095281 ESP Fit Center 5390 is at -3.900336 -4.664558 -0.095281 ESP Fit Center 5391 is at -3.662519 -5.002662 -0.095281 ESP Fit Center 5392 is at -3.375878 -5.300502 -0.095281 ESP Fit Center 5393 is at -3.047131 -5.551095 -0.095281 ESP Fit Center 5394 is at -2.683984 -5.748568 -0.095281 ESP Fit Center 5395 is at -4.213425 -3.701981 -0.517654 ESP Fit Center 5396 is at -4.115736 -4.108882 -0.517654 ESP Fit Center 5397 is at -3.955598 -4.495491 -0.517654 ESP Fit Center 5398 is at -3.736951 -4.852289 -0.517654 ESP Fit Center 5399 is at -3.465181 -5.170491 -0.517654 ESP Fit Center 5400 is at -3.146980 -5.442261 -0.517654 ESP Fit Center 5401 is at -2.790181 -5.660907 -0.517654 ESP Fit Center 5402 is at -2.403572 -5.821046 -0.517654 ESP Fit Center 5403 is at -4.112329 -3.707463 -0.929627 ESP Fit Center 5404 is at -4.008218 -4.118588 -0.929627 ESP Fit Center 5405 is at -3.837857 -4.506971 -0.929627 ESP Fit Center 5406 is at -3.605895 -4.862016 -0.929627 ESP Fit Center 5407 is at -3.318658 -5.174038 -0.929627 ESP Fit Center 5408 is at -2.983981 -5.434528 -0.929627 ESP Fit Center 5409 is at -2.610993 -5.636379 -0.929627 ESP Fit Center 5410 is at -2.209869 -5.774085 -0.929627 ESP Fit Center 5411 is at -3.948668 -3.702556 -1.321055 ESP Fit Center 5412 is at -3.840133 -4.107612 -1.321055 ESP Fit Center 5413 is at -3.662911 -4.487667 -1.321055 ESP Fit Center 5414 is at -3.422385 -4.831173 -1.321055 ESP Fit Center 5415 is at -3.125864 -5.127694 -1.321055 ESP Fit Center 5416 is at -2.782357 -5.368220 -1.321055 ESP Fit Center 5417 is at -2.402302 -5.545443 -1.321055 ESP Fit Center 5418 is at -3.753953 -3.492443 -1.682301 ESP Fit Center 5419 is at -3.675363 -3.900209 -1.682301 ESP Fit Center 5420 is at -3.521022 -4.285733 -1.682301 ESP Fit Center 5421 is at -3.296510 -4.635081 -1.682301 ESP Fit Center 5422 is at -3.009941 -4.935626 -1.682301 ESP Fit Center 5423 is at -2.671671 -5.176507 -1.682301 ESP Fit Center 5424 is at -2.293928 -5.349017 -1.682301 ESP Fit Center 5425 is at -3.488687 -3.284808 -2.004469 ESP Fit Center 5426 is at -3.440819 -3.709642 -2.004469 ESP Fit Center 5427 is at -3.299617 -4.113174 -2.004469 ESP Fit Center 5428 is at -3.072162 -4.475167 -2.004469 ESP Fit Center 5429 is at -2.769858 -4.777471 -2.004469 ESP Fit Center 5430 is at -2.407864 -5.004927 -2.004469 ESP Fit Center 5431 is at -2.004333 -5.146129 -2.004469 ESP Fit Center 5432 is at -3.112442 -2.874057 -2.279627 ESP Fit Center 5433 is at -3.166518 -3.284808 -2.279627 ESP Fit Center 5434 is at -3.112442 -3.695559 -2.279627 ESP Fit Center 5435 is at -2.953898 -4.078318 -2.279627 ESP Fit Center 5436 is at -2.701691 -4.407001 -2.279627 ESP Fit Center 5437 is at -2.373008 -4.659208 -2.279627 ESP Fit Center 5438 is at -1.990249 -4.817752 -2.279627 ESP Fit Center 5439 is at -2.731349 -2.865568 -2.500998 ESP Fit Center 5440 is at -2.805273 -3.284808 -2.500998 ESP Fit Center 5441 is at -2.731349 -3.704047 -2.500998 ESP Fit Center 5442 is at -2.518496 -4.072720 -2.500998 ESP Fit Center 5443 is at -2.192385 -4.346360 -2.500998 ESP Fit Center 5444 is at -1.792352 -4.491960 -2.500998 ESP Fit Center 5445 is at -0.856934 -2.867635 -2.663133 ESP Fit Center 5446 is at -2.302063 -2.867635 -2.663133 ESP Fit Center 5447 is at -2.413844 -3.284808 -2.663133 ESP Fit Center 5448 is at -2.302063 -3.701981 -2.663133 ESP Fit Center 5449 is at -1.996671 -4.007373 -2.663133 ESP Fit Center 5450 is at -1.579498 -4.119154 -2.663133 ESP Fit Center 5451 is at -1.157125 -3.284808 -2.762039 ESP Fit Center 5452 is at -1.368312 -2.919022 -2.762039 ESP Fit Center 5453 is at -1.790685 -2.919022 -2.762039 ESP Fit Center 5454 is at -2.001871 -3.284808 -2.762039 ESP Fit Center 5455 is at -1.790685 -3.650594 -2.762039 ESP Fit Center 5456 is at -1.368312 -3.650594 -2.762039 ESP Fit Center 5457 is at -1.579498 -3.284808 -2.795281 ESP Fit Center 5458 is at 3.275080 -4.011835 1.061727 ESP Fit Center 5459 is at 3.690058 -3.983449 1.061727 ESP Fit Center 5460 is at 3.274883 -4.280980 0.734408 ESP Fit Center 5461 is at 3.691177 -4.256734 0.734408 ESP Fit Center 5462 is at 4.090659 -4.137137 0.734408 ESP Fit Center 5463 is at 4.451791 -3.928637 0.734408 ESP Fit Center 5464 is at 3.587905 -4.472692 0.360972 ESP Fit Center 5465 is at 3.995978 -4.385954 0.360972 ESP Fit Center 5466 is at 4.377100 -4.216267 0.360972 ESP Fit Center 5467 is at 4.714613 -3.971049 0.360972 ESP Fit Center 5468 is at 4.993768 -3.661017 0.360972 ESP Fit Center 5469 is at 3.379310 -4.606541 -0.044229 ESP Fit Center 5470 is at 3.792608 -4.565834 -0.044229 ESP Fit Center 5471 is at 4.190023 -4.445280 -0.044229 ESP Fit Center 5472 is at 4.556283 -4.249510 -0.044229 ESP Fit Center 5473 is at 4.877313 -3.986048 -0.044229 ESP Fit Center 5474 is at 5.140775 -3.665018 -0.044229 ESP Fit Center 5475 is at 5.336545 -3.298758 -0.044229 ESP Fit Center 5476 is at 3.482087 -4.645598 -0.465624 ESP Fit Center 5477 is at 3.888549 -4.587158 -0.465624 ESP Fit Center 5478 is at 4.276606 -4.452850 -0.465624 ESP Fit Center 5479 is at 4.632233 -4.247529 -0.465624 ESP Fit Center 5480 is at 4.942575 -3.978615 -0.465624 ESP Fit Center 5481 is at 5.196417 -3.655829 -0.465624 ESP Fit Center 5482 is at 5.384584 -3.290835 -0.465624 ESP Fit Center 5483 is at 3.379310 -4.606541 -0.887019 ESP Fit Center 5484 is at 3.792608 -4.565834 -0.887019 ESP Fit Center 5485 is at 4.190023 -4.445280 -0.887019 ESP Fit Center 5486 is at 4.556283 -4.249510 -0.887019 ESP Fit Center 5487 is at 4.877313 -3.986048 -0.887019 ESP Fit Center 5488 is at 5.140775 -3.665018 -0.887019 ESP Fit Center 5489 is at 5.336545 -3.298758 -0.887019 ESP Fit Center 5490 is at 5.457100 -2.901343 -0.887019 ESP Fit Center 5491 is at 3.170715 -4.472692 -1.292220 ESP Fit Center 5492 is at 3.587905 -4.472692 -1.292220 ESP Fit Center 5493 is at 3.995978 -4.385954 -1.292220 ESP Fit Center 5494 is at 4.377100 -4.216267 -1.292220 ESP Fit Center 5495 is at 4.714613 -3.971049 -1.292220 ESP Fit Center 5496 is at 4.993768 -3.661017 -1.292220 ESP Fit Center 5497 is at 5.202363 -3.299720 -1.292220 ESP Fit Center 5498 is at 5.331281 -2.902949 -1.292220 ESP Fit Center 5499 is at 2.864218 -4.208569 -1.665655 ESP Fit Center 5500 is at 3.274883 -4.280980 -1.665655 ESP Fit Center 5501 is at 3.691177 -4.256734 -1.665655 ESP Fit Center 5502 is at 4.090659 -4.137137 -1.665655 ESP Fit Center 5503 is at 4.451791 -3.928637 -1.665655 ESP Fit Center 5504 is at 4.755106 -3.642475 -1.665655 ESP Fit Center 5505 is at 4.984251 -3.294076 -1.665655 ESP Fit Center 5506 is at 5.126873 -2.902225 -1.665655 ESP Fit Center 5507 is at 2.867831 -3.927207 -1.992974 ESP Fit Center 5508 is at 3.275080 -4.011835 -1.992974 ESP Fit Center 5509 is at 3.690058 -3.983449 -1.992974 ESP Fit Center 5510 is at 4.081990 -3.844157 -1.992974 ESP Fit Center 5511 is at 4.421808 -3.604287 -1.992974 ESP Fit Center 5512 is at 4.684308 -3.281631 -1.992974 ESP Fit Center 5513 is at 4.850022 -2.900119 -1.992974 ESP Fit Center 5514 is at 2.460032 -3.259410 -2.261598 ESP Fit Center 5515 is at 2.779294 -3.527302 -2.261598 ESP Fit Center 5516 is at 3.170926 -3.669845 -2.261598 ESP Fit Center 5517 is at 3.587693 -3.669845 -2.261598 ESP Fit Center 5518 is at 3.979326 -3.527302 -2.261598 ESP Fit Center 5519 is at 4.298587 -3.259410 -2.261598 ESP Fit Center 5520 is at 4.506971 -2.898480 -2.261598 ESP Fit Center 5521 is at 2.552713 -2.488045 -2.461204 ESP Fit Center 5522 is at 2.663456 -2.901343 -2.461204 ESP Fit Center 5523 is at 2.966012 -3.203898 -2.461204 ESP Fit Center 5524 is at 3.379310 -3.314641 -2.461204 ESP Fit Center 5525 is at 3.792608 -3.203898 -2.461204 ESP Fit Center 5526 is at 4.095163 -2.901343 -2.461204 ESP Fit Center 5527 is at 2.957915 -2.488045 -2.584120 ESP Fit Center 5528 is at 3.168612 -2.852983 -2.584120 ESP Fit Center 5529 is at 3.590007 -2.852983 -2.584120 ESP Fit Center 5530 is at 3.379310 -2.488045 -2.625624 ESP Fit Center 5531 is at 6.070324 0.027835 0.968229 ESP Fit Center 5532 is at 6.678397 -0.743531 0.699606 ESP Fit Center 5533 is at 6.621758 -0.331457 0.699606 ESP Fit Center 5534 is at 6.456044 0.050056 0.699606 ESP Fit Center 5535 is at 6.193544 0.372712 0.699606 ESP Fit Center 5536 is at 6.947020 -0.743531 0.372287 ESP Fit Center 5537 is at 6.898610 -0.329351 0.372287 ESP Fit Center 5538 is at 6.755987 0.062501 0.372287 ESP Fit Center 5539 is at 6.526842 0.410899 0.372287 ESP Fit Center 5540 is at 6.223528 0.697062 0.372287 ESP Fit Center 5541 is at 6.755987 -1.549563 0.372287 ESP Fit Center 5542 is at 6.898610 -1.157711 0.372287 ESP Fit Center 5543 is at 7.146626 -0.743531 -0.001149 ESP Fit Center 5544 is at 7.103018 -0.328627 -0.001149 ESP Fit Center 5545 is at 6.974099 0.068144 -0.001149 ESP Fit Center 5546 is at 6.765504 0.429441 -0.001149 ESP Fit Center 5547 is at 6.486350 0.739474 -0.001149 ESP Fit Center 5548 is at 6.486350 -2.226536 -0.001149 ESP Fit Center 5549 is at 6.765504 -1.916503 -0.001149 ESP Fit Center 5550 is at 6.974099 -1.555206 -0.001149 ESP Fit Center 5551 is at 7.103018 -1.158435 -0.001149 ESP Fit Center 5552 is at 7.269542 -0.743531 -0.406350 ESP Fit Center 5553 is at 7.228836 -0.330233 -0.406350 ESP Fit Center 5554 is at 7.108281 0.067182 -0.406350 ESP Fit Center 5555 is at 6.912511 0.433442 -0.406350 ESP Fit Center 5556 is at 6.649049 0.754472 -0.406350 ESP Fit Center 5557 is at 6.328020 1.017934 -0.406350 ESP Fit Center 5558 is at 5.564344 -2.821321 -0.406350 ESP Fit Center 5559 is at 5.961759 -2.700766 -0.406350 ESP Fit Center 5560 is at 6.328020 -2.504996 -0.406350 ESP Fit Center 5561 is at 6.649049 -2.241534 -0.406350 ESP Fit Center 5562 is at 6.912511 -1.920504 -0.406350 ESP Fit Center 5563 is at 7.108281 -1.554244 -0.406350 ESP Fit Center 5564 is at 7.228836 -1.156829 -0.406350 ESP Fit Center 5565 is at 7.311046 -0.743531 -0.827745 ESP Fit Center 5566 is at 7.272012 -0.334748 -0.827745 ESP Fit Center 5567 is at 7.156321 0.059260 -0.827745 ESP Fit Center 5568 is at 6.968154 0.424253 -0.827745 ESP Fit Center 5569 is at 6.714312 0.747040 -0.827745 ESP Fit Center 5570 is at 6.403969 1.015953 -0.827745 ESP Fit Center 5571 is at 5.660285 -2.842644 -0.827745 ESP Fit Center 5572 is at 6.048343 -2.708336 -0.827745 ESP Fit Center 5573 is at 6.403969 -2.503015 -0.827745 ESP Fit Center 5574 is at 6.714312 -2.234102 -0.827745 ESP Fit Center 5575 is at 6.968154 -1.911315 -0.827745 ESP Fit Center 5576 is at 7.156321 -1.546322 -0.827745 ESP Fit Center 5577 is at 7.272012 -1.152314 -0.827745 ESP Fit Center 5578 is at 7.269542 -0.743531 -1.249140 ESP Fit Center 5579 is at 7.228836 -0.330233 -1.249140 ESP Fit Center 5580 is at 7.108281 0.067182 -1.249140 ESP Fit Center 5581 is at 6.912511 0.433442 -1.249140 ESP Fit Center 5582 is at 6.649049 0.754472 -1.249140 ESP Fit Center 5583 is at 6.328020 1.017934 -1.249140 ESP Fit Center 5584 is at 5.564344 -2.821321 -1.249140 ESP Fit Center 5585 is at 5.961759 -2.700766 -1.249140 ESP Fit Center 5586 is at 6.328020 -2.504996 -1.249140 ESP Fit Center 5587 is at 6.649049 -2.241534 -1.249140 ESP Fit Center 5588 is at 6.912511 -1.920504 -1.249140 ESP Fit Center 5589 is at 7.108281 -1.554244 -1.249140 ESP Fit Center 5590 is at 7.228836 -1.156829 -1.249140 ESP Fit Center 5591 is at 7.146626 -0.743531 -1.654341 ESP Fit Center 5592 is at 7.103018 -0.328627 -1.654341 ESP Fit Center 5593 is at 6.974099 0.068144 -1.654341 ESP Fit Center 5594 is at 6.765504 0.429441 -1.654341 ESP Fit Center 5595 is at 6.486350 0.739474 -1.654341 ESP Fit Center 5596 is at 5.359641 -2.728179 -1.654341 ESP Fit Center 5597 is at 5.767714 -2.641440 -1.654341 ESP Fit Center 5598 is at 6.148836 -2.471754 -1.654341 ESP Fit Center 5599 is at 6.486350 -2.226536 -1.654341 ESP Fit Center 5600 is at 6.765504 -1.916503 -1.654341 ESP Fit Center 5601 is at 6.974099 -1.555206 -1.654341 ESP Fit Center 5602 is at 7.103018 -1.158435 -1.654341 ESP Fit Center 5603 is at 6.947020 -0.743531 -2.027777 ESP Fit Center 5604 is at 6.898610 -0.329351 -2.027777 ESP Fit Center 5605 is at 6.755987 0.062501 -2.027777 ESP Fit Center 5606 is at 6.526842 0.410899 -2.027777 ESP Fit Center 5607 is at 5.462914 -2.512220 -2.027777 ESP Fit Center 5608 is at 5.862395 -2.392624 -2.027777 ESP Fit Center 5609 is at 6.223528 -2.184124 -2.027777 ESP Fit Center 5610 is at 6.526842 -1.897961 -2.027777 ESP Fit Center 5611 is at 6.755987 -1.549563 -2.027777 ESP Fit Center 5612 is at 6.898610 -1.157711 -2.027777 ESP Fit Center 5613 is at 6.678397 -0.743531 -2.355096 ESP Fit Center 5614 is at 6.621758 -0.331457 -2.355096 ESP Fit Center 5615 is at 6.456044 0.050056 -2.355096 ESP Fit Center 5616 is at 6.193544 0.372712 -2.355096 ESP Fit Center 5617 is at 5.461795 -2.238936 -2.355096 ESP Fit Center 5618 is at 5.853727 -2.099643 -2.355096 ESP Fit Center 5619 is at 6.193544 -1.859774 -2.355096 ESP Fit Center 5620 is at 6.456044 -1.537118 -2.355096 ESP Fit Center 5621 is at 6.621758 -1.155605 -2.355096 ESP Fit Center 5622 is at 6.351078 -0.743531 -2.623719 ESP Fit Center 5623 is at 6.278707 -0.333096 -2.623719 ESP Fit Center 5624 is at 5.751062 -1.782789 -2.623719 ESP Fit Center 5625 is at 6.070324 -1.514897 -2.623719 ESP Fit Center 5626 is at 6.278707 -1.153966 -2.623719 ESP Fit Center 5627 is at 5.977642 -0.743531 -2.823325 ESP Fit Center 5628 is at 5.866899 -1.156829 -2.823325 ESP Fit Center 5629 is at 3.959481 1.555228 -2.734569 ESP Fit Center 5630 is at 3.542292 1.555228 -2.734569 ESP Fit Center 5631 is at 3.134218 1.468489 -2.734569 ESP Fit Center 5632 is at 2.753097 1.298803 -2.734569 ESP Fit Center 5633 is at 2.415583 1.053585 -2.734569 ESP Fit Center 5634 is at 2.136428 0.743552 -2.734569 ESP Fit Center 5635 is at 1.927834 0.382255 -2.734569 ESP Fit Center 5636 is at 1.798915 -0.014516 -2.734569 ESP Fit Center 5637 is at 1.755307 -0.429420 -2.734569 ESP Fit Center 5638 is at 2.136428 -1.602393 -2.734569 ESP Fit Center 5639 is at 2.415583 -1.912425 -2.734569 ESP Fit Center 5640 is at 2.753097 -2.157643 -2.734569 ESP Fit Center 5641 is at 3.134218 -2.327329 -2.734569 ESP Fit Center 5642 is at 3.542292 -2.414068 -2.734569 ESP Fit Center 5643 is at 3.959481 -2.414068 -2.734569 ESP Fit Center 5644 is at 5.355828 0.376612 -3.108004 ESP Fit Center 5645 is at 5.126683 0.725010 -3.108004 ESP Fit Center 5646 is at 4.823368 1.011173 -3.108004 ESP Fit Center 5647 is at 4.462236 1.219672 -3.108004 ESP Fit Center 5648 is at 4.062754 1.339269 -3.108004 ESP Fit Center 5649 is at 3.646460 1.363516 -3.108004 ESP Fit Center 5650 is at 3.235795 1.291104 -3.108004 ESP Fit Center 5651 is at 2.852899 1.125939 -3.108004 ESP Fit Center 5652 is at 2.518414 0.876924 -3.108004 ESP Fit Center 5653 is at 2.250372 0.557484 -3.108004 ESP Fit Center 5654 is at 2.063223 0.184839 -3.108004 ESP Fit Center 5655 is at 1.967056 -0.220920 -3.108004 ESP Fit Center 5656 is at 1.967056 -0.637920 -3.108004 ESP Fit Center 5657 is at 2.063223 -1.043680 -3.108004 ESP Fit Center 5658 is at 2.250372 -1.416324 -3.108004 ESP Fit Center 5659 is at 2.518414 -1.735765 -3.108004 ESP Fit Center 5660 is at 2.852899 -1.984780 -3.108004 ESP Fit Center 5661 is at 3.235795 -2.149945 -3.108004 ESP Fit Center 5662 is at 3.646460 -2.222356 -3.108004 ESP Fit Center 5663 is at 4.062754 -2.198110 -3.108004 ESP Fit Center 5664 is at 4.462236 -2.078513 -3.108004 ESP Fit Center 5665 is at 4.823368 -1.870013 -3.108004 ESP Fit Center 5666 is at 5.126683 -1.583850 -3.108004 ESP Fit Center 5667 is at 5.278237 -0.429420 -3.435323 ESP Fit Center 5668 is at 5.221599 -0.017346 -3.435323 ESP Fit Center 5669 is at 5.055884 0.364167 -3.435323 ESP Fit Center 5670 is at 4.793384 0.686823 -3.435323 ESP Fit Center 5671 is at 4.453567 0.926692 -3.435323 ESP Fit Center 5672 is at 4.061635 1.065985 -3.435323 ESP Fit Center 5673 is at 3.646656 1.094370 -3.435323 ESP Fit Center 5674 is at 3.239408 1.009743 -3.435323 ESP Fit Center 5675 is at 2.870093 0.818379 -3.435323 ESP Fit Center 5676 is at 2.566103 0.534472 -3.435323 ESP Fit Center 5677 is at 2.349983 0.179078 -3.435323 ESP Fit Center 5678 is at 2.237762 -0.221446 -3.435323 ESP Fit Center 5679 is at 2.237762 -0.637394 -3.435323 ESP Fit Center 5680 is at 2.349983 -1.037918 -3.435323 ESP Fit Center 5681 is at 2.566103 -1.393313 -3.435323 ESP Fit Center 5682 is at 2.870093 -1.677220 -3.435323 ESP Fit Center 5683 is at 3.239408 -1.868583 -3.435323 ESP Fit Center 5684 is at 3.646656 -1.953210 -3.435323 ESP Fit Center 5685 is at 4.061635 -1.924825 -3.435323 ESP Fit Center 5686 is at 4.453567 -1.785532 -3.435323 ESP Fit Center 5687 is at 4.793384 -1.545663 -3.435323 ESP Fit Center 5688 is at 5.055884 -1.223007 -3.435323 ESP Fit Center 5689 is at 5.221599 -0.841494 -3.435323 ESP Fit Center 5690 is at 4.950918 -0.429420 -3.703947 ESP Fit Center 5691 is at 4.878547 -0.018985 -3.703947 ESP Fit Center 5692 is at 4.670164 0.341945 -3.703947 ESP Fit Center 5693 is at 4.350902 0.609838 -3.703947 ESP Fit Center 5694 is at 3.959270 0.752380 -3.703947 ESP Fit Center 5695 is at 3.542503 0.752380 -3.703947 ESP Fit Center 5696 is at 3.150871 0.609838 -3.703947 ESP Fit Center 5697 is at 2.831609 0.341945 -3.703947 ESP Fit Center 5698 is at 2.623226 -0.018985 -3.703947 ESP Fit Center 5699 is at 2.550855 -0.429420 -3.703947 ESP Fit Center 5700 is at 2.623226 -0.839855 -3.703947 ESP Fit Center 5701 is at 2.831609 -1.200786 -3.703947 ESP Fit Center 5702 is at 3.150871 -1.468678 -3.703947 ESP Fit Center 5703 is at 3.542503 -1.611221 -3.703947 ESP Fit Center 5704 is at 3.959270 -1.611221 -3.703947 ESP Fit Center 5705 is at 4.350902 -1.468678 -3.703947 ESP Fit Center 5706 is at 4.670164 -1.200786 -3.703947 ESP Fit Center 5707 is at 4.878547 -0.839855 -3.703947 ESP Fit Center 5708 is at 4.577483 -0.429420 -3.903552 ESP Fit Center 5709 is at 4.466740 -0.016122 -3.903552 ESP Fit Center 5710 is at 4.164185 0.286433 -3.903552 ESP Fit Center 5711 is at 3.750886 0.397176 -3.903552 ESP Fit Center 5712 is at 3.337588 0.286433 -3.903552 ESP Fit Center 5713 is at 3.035033 -0.016122 -3.903552 ESP Fit Center 5714 is at 2.924290 -0.429420 -3.903552 ESP Fit Center 5715 is at 3.035033 -0.842718 -3.903552 ESP Fit Center 5716 is at 3.337588 -1.145273 -3.903552 ESP Fit Center 5717 is at 3.750886 -1.256016 -3.903552 ESP Fit Center 5718 is at 4.164185 -1.145273 -3.903552 ESP Fit Center 5719 is at 4.466740 -0.842718 -3.903552 ESP Fit Center 5720 is at 4.172282 -0.429420 -4.026469 ESP Fit Center 5721 is at 3.961584 -0.064481 -4.026469 ESP Fit Center 5722 is at 3.540189 -0.064481 -4.026469 ESP Fit Center 5723 is at 3.329491 -0.429420 -4.026469 ESP Fit Center 5724 is at 3.540189 -0.794359 -4.026469 ESP Fit Center 5725 is at 3.961584 -0.794359 -4.026469 ESP Fit Center 5726 is at 3.750886 -0.429420 -4.067972 ESP Fit Center 5727 is at 1.754508 1.360308 2.679445 ESP Fit Center 5728 is at 2.176881 1.360308 2.646204 ESP Fit Center 5729 is at 1.965694 1.726094 2.646204 ESP Fit Center 5730 is at 1.543321 1.726094 2.646204 ESP Fit Center 5731 is at 1.332135 1.360308 2.646204 ESP Fit Center 5732 is at 1.543321 0.994523 2.646204 ESP Fit Center 5733 is at 1.965694 0.994523 2.646204 ESP Fit Center 5734 is at 2.588853 1.360308 2.547298 ESP Fit Center 5735 is at 2.477072 1.777481 2.547298 ESP Fit Center 5736 is at 2.171681 2.082873 2.547298 ESP Fit Center 5737 is at 1.754508 2.194654 2.547298 ESP Fit Center 5738 is at 0.920162 1.360308 2.547298 ESP Fit Center 5739 is at 1.031943 0.943136 2.547298 ESP Fit Center 5740 is at 2.171681 0.637744 2.547298 ESP Fit Center 5741 is at 2.477072 0.943136 2.547298 ESP Fit Center 5742 is at 2.980282 1.360308 2.385163 ESP Fit Center 5743 is at 2.906359 1.779548 2.385163 ESP Fit Center 5744 is at 2.693505 0.572396 2.385163 ESP Fit Center 5745 is at 2.906359 0.941069 2.385163 ESP Fit Center 5746 is at 3.341528 1.360308 2.163791 ESP Fit Center 5747 is at 3.287451 1.771060 2.163791 ESP Fit Center 5748 is at 3.287451 0.949557 2.163791 ESP Fit Center 5749 is at 3.663696 1.360308 1.888634 ESP Fit Center 5750 is at 3.615829 1.785143 1.888634 ESP Fit Center 5751 is at 3.899380 1.773699 1.566465 ESP Fit Center 5752 is at 3.287451 1.771060 -2.204901 ESP Fit Center 5753 is at 2.906359 1.779548 -2.426272 ESP Fit Center 5754 is at 2.693505 2.148221 -2.426272 ESP Fit Center 5755 is at 2.367395 2.421860 -2.426272 ESP Fit Center 5756 is at 2.588853 1.360308 -2.588407 ESP Fit Center 5757 is at 2.477072 1.777481 -2.588407 ESP Fit Center 5758 is at 2.171681 2.082873 -2.588407 ESP Fit Center 5759 is at 2.176881 1.360308 -2.687313 ESP Fit Center 5760 is at 1.965694 1.726094 -2.687313 ESP Fit Center 5761 is at 1.543321 1.726094 -2.687313 ESP Fit Center 5762 is at 1.332135 1.360308 -2.687313 ESP Fit Center 5763 is at 1.543321 0.994523 -2.687313 ESP Fit Center 5764 is at 1.965694 0.994523 -2.687313 ESP Fit Center 5765 is at 1.754508 1.360308 -2.720555 ESP Fit Center 5766 is at 4.694897 0.967644 1.570435 ESP Fit Center 5767 is at 4.392342 1.270199 1.570435 ESP Fit Center 5768 is at 3.979044 1.380942 1.570435 ESP Fit Center 5769 is at 5.106704 0.964781 1.370830 ESP Fit Center 5770 is at 4.898321 1.325711 1.370830 ESP Fit Center 5771 is at 4.579059 1.593604 1.370830 ESP Fit Center 5772 is at 4.187427 1.736146 1.370830 ESP Fit Center 5773 is at 5.449756 0.966420 1.102206 ESP Fit Center 5774 is at 5.284042 1.347933 1.102206 ESP Fit Center 5775 is at 5.021542 1.670589 1.102206 ESP Fit Center 5776 is at 4.681724 1.910458 1.102206 ESP Fit Center 5777 is at 4.289792 2.049750 1.102206 ESP Fit Center 5778 is at 5.726607 0.968526 0.774887 ESP Fit Center 5779 is at 5.583985 1.360378 0.774887 ESP Fit Center 5780 is at 5.354840 1.708776 0.774887 ESP Fit Center 5781 is at 5.051525 1.994938 0.774887 ESP Fit Center 5782 is at 4.690393 2.203438 0.774887 ESP Fit Center 5783 is at 5.802096 1.366021 0.401452 ESP Fit Center 5784 is at 5.593502 1.727318 0.401452 ESP Fit Center 5785 is at 5.314347 2.037351 0.401452 ESP Fit Center 5786 is at 4.976833 2.282569 0.401452 ESP Fit Center 5787 is at 5.936279 1.365059 -0.003750 ESP Fit Center 5788 is at 5.740509 1.731319 -0.003750 ESP Fit Center 5789 is at 5.477047 2.052349 -0.003750 ESP Fit Center 5790 is at 5.156017 2.315811 -0.003750 ESP Fit Center 5791 is at 5.796151 1.722130 -0.425145 ESP Fit Center 5792 is at 5.542309 2.044916 -0.425145 ESP Fit Center 5793 is at 5.231966 2.313830 -0.425145 ESP Fit Center 5794 is at 5.740509 1.731319 -0.846540 ESP Fit Center 5795 is at 5.477047 2.052349 -0.846540 ESP Fit Center 5796 is at 5.156017 2.315811 -0.846540 ESP Fit Center 5797 is at 5.314347 2.037351 -1.251741 ESP Fit Center 5798 is at 4.976833 2.282569 -1.251741 ESP Fit Center 5799 is at 5.051525 1.994938 -1.625176 ESP Fit Center 5800 is at 4.690393 2.203438 -1.625176 ESP Fit Center 5801 is at 4.289792 2.049750 -1.952495 ESP Fit Center 5802 is at 5.116166 -1.725053 3.463915 ESP Fit Center 5803 is at 4.905469 -2.089992 3.463915 ESP Fit Center 5804 is at 5.521367 -1.725053 3.340999 ESP Fit Center 5805 is at 5.410624 -1.311755 3.340999 ESP Fit Center 5806 is at 5.108069 -2.440906 3.340999 ESP Fit Center 5807 is at 5.410624 -2.138351 3.340999 ESP Fit Center 5808 is at 5.894803 -1.725053 3.141393 ESP Fit Center 5809 is at 5.822432 -1.314618 3.141393 ESP Fit Center 5810 is at 5.614049 -0.953688 3.141393 ESP Fit Center 5811 is at 5.294787 -0.685795 3.141393 ESP Fit Center 5812 is at 4.903154 -2.906854 3.141393 ESP Fit Center 5813 is at 5.294787 -2.764311 3.141393 ESP Fit Center 5814 is at 5.614049 -2.496419 3.141393 ESP Fit Center 5815 is at 5.822432 -2.135488 3.141393 ESP Fit Center 5816 is at 6.222122 -1.725053 2.872769 ESP Fit Center 5817 is at 6.165483 -1.312979 2.872769 ESP Fit Center 5818 is at 5.999769 -0.931466 2.872769 ESP Fit Center 5819 is at 5.737269 -0.608810 2.872769 ESP Fit Center 5820 is at 5.397452 -0.368941 2.872769 ESP Fit Center 5821 is at 4.590541 -3.248843 2.872769 ESP Fit Center 5822 is at 5.005520 -3.220458 2.872769 ESP Fit Center 5823 is at 5.397452 -3.081165 2.872769 ESP Fit Center 5824 is at 5.737269 -2.841296 2.872769 ESP Fit Center 5825 is at 5.999769 -2.518640 2.872769 ESP Fit Center 5826 is at 6.165483 -2.137127 2.872769 ESP Fit Center 5827 is at 6.490745 -1.725053 2.545451 ESP Fit Center 5828 is at 6.442335 -1.310873 2.545451 ESP Fit Center 5829 is at 6.299712 -0.919021 2.545451 ESP Fit Center 5830 is at 6.070567 -0.570623 2.545451 ESP Fit Center 5831 is at 5.767253 -0.284460 2.545451 ESP Fit Center 5832 is at 4.590344 -3.517989 2.545451 ESP Fit Center 5833 is at 5.006639 -3.493743 2.545451 ESP Fit Center 5834 is at 5.406120 -3.374146 2.545451 ESP Fit Center 5835 is at 5.767253 -3.165646 2.545451 ESP Fit Center 5836 is at 6.070567 -2.879483 2.545451 ESP Fit Center 5837 is at 6.299712 -2.531085 2.545451 ESP Fit Center 5838 is at 6.442335 -2.139233 2.545451 ESP Fit Center 5839 is at 6.690351 -1.725053 2.172015 ESP Fit Center 5840 is at 6.646743 -1.310149 2.172015 ESP Fit Center 5841 is at 6.517824 -0.913378 2.172015 ESP Fit Center 5842 is at 6.309229 -0.552081 2.172015 ESP Fit Center 5843 is at 6.030075 -0.242048 2.172015 ESP Fit Center 5844 is at 5.692561 0.003170 2.172015 ESP Fit Center 5845 is at 4.486176 -3.709701 2.172015 ESP Fit Center 5846 is at 4.903366 -3.709701 2.172015 ESP Fit Center 5847 is at 5.311439 -3.622962 2.172015 ESP Fit Center 5848 is at 5.692561 -3.453276 2.172015 ESP Fit Center 5849 is at 6.030075 -3.208058 2.172015 ESP Fit Center 5850 is at 6.309229 -2.898025 2.172015 ESP Fit Center 5851 is at 6.517824 -2.536728 2.172015 ESP Fit Center 5852 is at 6.646743 -2.139957 2.172015 ESP Fit Center 5853 is at 6.813267 -1.725053 1.766814 ESP Fit Center 5854 is at 6.772561 -1.311755 1.766814 ESP Fit Center 5855 is at 6.652006 -0.914340 1.766814 ESP Fit Center 5856 is at 6.456236 -0.548080 1.766814 ESP Fit Center 5857 is at 6.192774 -0.227050 1.766814 ESP Fit Center 5858 is at 5.871744 0.036412 1.766814 ESP Fit Center 5859 is at 4.694771 -3.843549 1.766814 ESP Fit Center 5860 is at 5.108069 -3.802843 1.766814 ESP Fit Center 5861 is at 5.505484 -3.682288 1.766814 ESP Fit Center 5862 is at 5.871744 -3.486518 1.766814 ESP Fit Center 5863 is at 6.192774 -3.223056 1.766814 ESP Fit Center 5864 is at 6.456236 -2.902027 1.766814 ESP Fit Center 5865 is at 6.652006 -2.535766 1.766814 ESP Fit Center 5866 is at 6.772561 -2.138351 1.766814 ESP Fit Center 5867 is at 6.854771 -1.725053 1.345419 ESP Fit Center 5868 is at 6.815737 -1.316270 1.345419 ESP Fit Center 5869 is at 6.700046 -0.922262 1.345419 ESP Fit Center 5870 is at 6.511879 -0.557269 1.345419 ESP Fit Center 5871 is at 6.258037 -0.234482 1.345419 ESP Fit Center 5872 is at 5.947694 0.034431 1.345419 ESP Fit Center 5873 is at 5.592067 0.239752 1.345419 ESP Fit Center 5874 is at 4.797548 -3.882607 1.345419 ESP Fit Center 5875 is at 5.204010 -3.824166 1.345419 ESP Fit Center 5876 is at 5.592067 -3.689858 1.345419 ESP Fit Center 5877 is at 5.947694 -3.484537 1.345419 ESP Fit Center 5878 is at 6.258037 -3.215624 1.345419 ESP Fit Center 5879 is at 6.511879 -2.892837 1.345419 ESP Fit Center 5880 is at 6.700046 -2.527844 1.345419 ESP Fit Center 5881 is at 6.815737 -2.133836 1.345419 ESP Fit Center 5882 is at 6.813267 -1.725053 0.924024 ESP Fit Center 5883 is at 6.772561 -1.311755 0.924024 ESP Fit Center 5884 is at 6.652006 -0.914340 0.924024 ESP Fit Center 5885 is at 6.456236 -0.548080 0.924024 ESP Fit Center 5886 is at 4.694771 -3.843549 0.924024 ESP Fit Center 5887 is at 5.108069 -3.802843 0.924024 ESP Fit Center 5888 is at 5.505484 -3.682288 0.924024 ESP Fit Center 5889 is at 5.871744 -3.486518 0.924024 ESP Fit Center 5890 is at 6.192774 -3.223056 0.924024 ESP Fit Center 5891 is at 6.456236 -2.902027 0.924024 ESP Fit Center 5892 is at 6.652006 -2.535766 0.924024 ESP Fit Center 5893 is at 6.772561 -2.138351 0.924024 ESP Fit Center 5894 is at 6.690351 -1.725053 0.518823 ESP Fit Center 5895 is at 4.903366 -3.709701 0.518823 ESP Fit Center 5896 is at 5.311439 -3.622962 0.518823 ESP Fit Center 5897 is at 5.692561 -3.453276 0.518823 ESP Fit Center 5898 is at 6.030075 -3.208058 0.518823 ESP Fit Center 5899 is at 6.309229 -2.898025 0.518823 ESP Fit Center 5900 is at 6.517824 -2.536728 0.518823 ESP Fit Center 5901 is at 6.646743 -2.139957 0.518823 ESP Fit Center 5902 is at 5.406120 -3.374146 0.145387 ESP Fit Center 5903 is at 5.767253 -3.165646 0.145387 ESP Fit Center 5904 is at 6.070567 -2.879483 0.145387 ESP Fit Center 5905 is at 6.299712 -2.531085 0.145387 ESP Fit Center 5906 is at 5.737269 -2.841296 -0.181932 ESP Fit Center 5907 is at 0.852776 2.246030 2.633104 ESP Fit Center 5908 is at 1.275149 2.246030 2.599862 ESP Fit Center 5909 is at 1.063963 2.611816 2.599862 ESP Fit Center 5910 is at 0.641590 2.611816 2.599862 ESP Fit Center 5911 is at 0.430403 2.246030 2.599862 ESP Fit Center 5912 is at 0.641590 1.880245 2.599862 ESP Fit Center 5913 is at 1.063963 1.880245 2.599862 ESP Fit Center 5914 is at 0.435603 2.968595 2.500956 ESP Fit Center 5915 is at 0.130212 2.663203 2.500956 ESP Fit Center 5916 is at 0.018430 2.246030 2.500956 ESP Fit Center 5917 is at 0.130212 1.828857 2.500956 ESP Fit Center 5918 is at 0.435603 1.523466 2.500956 ESP Fit Center 5919 is at -0.086221 3.033943 2.338821 ESP Fit Center 5920 is at -0.299075 2.665270 2.338821 ESP Fit Center 5921 is at -0.372998 2.246030 2.338821 ESP Fit Center 5922 is at -0.299075 1.826791 2.338821 ESP Fit Center 5923 is at -0.086221 1.458118 2.338821 ESP Fit Center 5924 is at -0.680167 2.656781 2.117450 ESP Fit Center 5925 is at -0.734244 2.246030 2.117450 ESP Fit Center 5926 is at -0.680167 1.835279 2.117450 ESP Fit Center 5927 is at -1.056412 2.246030 1.842292 ESP Fit Center 5928 is at -0.734244 2.246030 -2.251242 ESP Fit Center 5929 is at -0.680167 1.835279 -2.251242 ESP Fit Center 5930 is at -0.521623 1.452520 -2.251242 ESP Fit Center 5931 is at 2.004627 2.665270 -2.472614 ESP Fit Center 5932 is at -0.299075 2.665270 -2.472614 ESP Fit Center 5933 is at -0.372998 2.246030 -2.472614 ESP Fit Center 5934 is at -0.299075 1.826791 -2.472614 ESP Fit Center 5935 is at -0.086221 1.458118 -2.472614 ESP Fit Center 5936 is at 0.239889 1.184479 -2.472614 ESP Fit Center 5937 is at 1.687122 2.246030 -2.634749 ESP Fit Center 5938 is at 1.575341 2.663203 -2.634749 ESP Fit Center 5939 is at 0.435603 2.968595 -2.634749 ESP Fit Center 5940 is at 0.130212 2.663203 -2.634749 ESP Fit Center 5941 is at 0.018430 2.246030 -2.634749 ESP Fit Center 5942 is at 0.130212 1.828857 -2.634749 ESP Fit Center 5943 is at 0.435603 1.523466 -2.634749 ESP Fit Center 5944 is at 0.852776 1.411684 -2.634749 ESP Fit Center 5945 is at 1.275149 2.246030 -2.733655 ESP Fit Center 5946 is at 1.063963 2.611816 -2.733655 ESP Fit Center 5947 is at 0.641590 2.611816 -2.733655 ESP Fit Center 5948 is at 0.430403 2.246030 -2.733655 ESP Fit Center 5949 is at 0.641590 1.880245 -2.733655 ESP Fit Center 5950 is at 1.063963 1.880245 -2.733655 ESP Fit Center 5951 is at 0.852776 2.246030 -2.766896 ESP Fit Center 5952 is at -0.319157 -5.904176 1.864597 ESP Fit Center 5953 is at -1.238434 -5.848945 1.664991 ESP Fit Center 5954 is at -0.919173 -6.116838 1.664991 ESP Fit Center 5955 is at -0.527540 -6.259380 1.664991 ESP Fit Center 5956 is at -0.110773 -6.259380 1.664991 ESP Fit Center 5957 is at 0.280859 -6.116838 1.664991 ESP Fit Center 5958 is at 0.600121 -5.848945 1.664991 ESP Fit Center 5959 is at -1.503940 -6.041472 1.396368 ESP Fit Center 5960 is at -1.199950 -6.325379 1.396368 ESP Fit Center 5961 is at -0.830635 -6.516742 1.396368 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ESP Fit Center 6089 is at -1.616705 1.505017 -1.818661 ESP Fit Center 6090 is at -1.978699 1.732473 -1.818661 ESP Fit Center 6091 is at -1.684872 1.134546 -2.093819 ESP Fit Center 6092 is at -2.013554 1.386753 -2.093819 ESP Fit Center 6093 is at -2.396313 1.545297 -2.093819 ESP Fit Center 6094 is at -1.581290 0.012353 -2.315191 ESP Fit Center 6095 is at -1.655213 0.431593 -2.315191 ESP Fit Center 6096 is at -1.868067 0.800266 -2.315191 ESP Fit Center 6097 is at -2.194177 1.073905 -2.315191 ESP Fit Center 6098 is at -2.594211 1.219506 -2.315191 ESP Fit Center 6099 is at -1.972719 0.012353 -2.477326 ESP Fit Center 6100 is at -2.084500 0.429526 -2.477326 ESP Fit Center 6101 is at -2.389891 0.734918 -2.477326 ESP Fit Center 6102 is at -2.807064 0.846699 -2.477326 ESP Fit Center 6103 is at -2.384691 0.012353 -2.576231 ESP Fit Center 6104 is at -2.595878 0.378139 -2.576231 ESP Fit Center 6105 is at -3.018251 0.378139 -2.576231 ESP Fit Center 6106 is at -3.229437 0.012353 -2.576231 ESP Fit Center 6107 is at -3.018251 -0.353432 -2.576231 ESP Fit Center 6108 is at -2.595878 -0.353432 -2.576231 ESP Fit Center 6109 is at -2.807064 0.012353 -2.609473 ESP Fit Center 6110 is at -1.509488 1.247501 2.200214 ESP Fit Center 6111 is at -1.322771 1.570905 2.000608 ESP Fit Center 6112 is at -3.965980 0.708446 2.787436 ESP Fit Center 6113 is at -3.543607 0.708446 2.754195 ESP Fit Center 6114 is at -3.754794 1.074231 2.754195 ESP Fit Center 6115 is at -4.177167 1.074231 2.754195 ESP Fit Center 6116 is at -4.388353 0.708446 2.754195 ESP Fit Center 6117 is at -4.177167 0.342660 2.754195 ESP Fit Center 6118 is at -3.754794 0.342660 2.754195 ESP Fit Center 6119 is at -4.688545 1.125619 2.655289 ESP Fit Center 6120 is at -4.800326 0.708446 2.655289 ESP Fit Center 6121 is at -4.688545 0.291273 2.655289 ESP Fit Center 6122 is at -4.383153 -0.014119 2.655289 ESP Fit Center 6123 is at -3.965980 -0.125900 2.655289 ESP Fit Center 6124 is at -5.117831 1.127685 2.493154 ESP Fit Center 6125 is at 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ESP Fit Center 6162 is at -6.674441 -2.255738 -0.070044 ESP Fit Center 6163 is at -7.743047 -0.813525 -0.492417 ESP Fit Center 6164 is at -7.582908 -1.200135 -0.492417 ESP Fit Center 6165 is at -7.364262 -1.556933 -0.492417 ESP Fit Center 6166 is at -7.092492 -1.875135 -0.492417 ESP Fit Center 6167 is at -6.774290 -2.146905 -0.492417 ESP Fit Center 6168 is at -6.417492 -2.365551 -0.492417 ESP Fit Center 6169 is at -6.030883 -2.525690 -0.492417 ESP Fit Center 6170 is at -5.623982 -2.623378 -0.492417 ESP Fit Center 6171 is at -5.206809 -2.656210 -0.492417 ESP Fit Center 6172 is at -7.739640 -0.412106 -0.904390 ESP Fit Center 6173 is at -7.635528 -0.823232 -0.904390 ESP Fit Center 6174 is at -7.465168 -1.211614 -0.904390 ESP Fit Center 6175 is at -7.233206 -1.566659 -0.904390 ESP Fit Center 6176 is at -6.945968 -1.878682 -0.904390 ESP Fit Center 6177 is at -7.575978 -0.407200 -1.295818 ESP Fit Center 6178 is at -7.467444 -0.812256 -1.295818 ESP Fit Center 6179 is at -7.290222 -1.192311 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ESP Fit Center 6235 is at -2.740388 4.517980 -0.158107 ESP Fit Center 6236 is at -3.126998 4.678118 -0.158107 ESP Fit Center 6237 is at -3.533898 4.775807 -0.158107 ESP Fit Center 6238 is at -3.951071 4.808639 -0.158107 ESP Fit Center 6239 is at -4.368244 4.775807 -0.158107 ESP Fit Center 6240 is at -4.775145 4.678118 -0.158107 ESP Fit Center 6241 is at -5.161754 4.517980 -0.158107 ESP Fit Center 6242 is at -4.982566 4.493451 -0.570080 ESP Fit Center 6243 is at -5.355554 4.291600 -0.570080 ESP Fit Center 6244 is at -5.690231 4.031111 -0.570080 ESP Fit Center 6245 is at -5.793958 3.688246 -0.961508 ESP Fit Center 6246 is at -6.034484 3.344739 -0.961508 ESP Fit Center 6247 is at -6.211706 2.964684 -0.961508 ESP Fit Center 6248 is at -5.892595 3.142806 -1.322754 ESP Fit Center 6249 is at -6.046936 2.757282 -1.322754 ESP Fit Center 6250 is at -6.467143 1.430975 1.943999 ESP Fit Center 6251 is at -6.769698 1.128420 1.943999 ESP Fit Center 6252 is at -6.880441 0.715122 1.943999 ESP Fit Center 6253 is at -6.973122 1.486488 1.744394 ESP Fit Center 6254 is at -7.181505 1.125557 1.744394 ESP Fit Center 6255 is at -7.253876 0.715122 1.744394 ESP Fit Center 6256 is at -6.934638 1.962922 1.475770 ESP Fit Center 6257 is at -7.238628 1.679015 1.475770 ESP Fit Center 6258 is at -7.454748 1.323620 1.475770 ESP Fit Center 6259 is at -7.566969 0.923096 1.475770 ESP Fit Center 6260 is at -7.566969 0.507148 1.475770 ESP Fit Center 6261 is at -7.454748 0.106624 1.475770 ESP Fit Center 6262 is at -7.286317 2.021466 1.148451 ESP Fit Center 6263 is at -7.554359 1.702026 1.148451 ESP Fit Center 6264 is at -7.741508 1.329381 1.148451 ESP Fit Center 6265 is at -7.837675 0.923622 1.148451 ESP Fit Center 6266 is at -7.837675 0.506622 1.148451 ESP Fit Center 6267 is at -7.741508 0.100863 1.148451 ESP Fit Center 6268 is at -7.389148 2.198127 0.775016 ESP Fit Center 6269 is at -7.668302 1.888094 0.775016 ESP Fit Center 6270 is at -7.876897 1.526797 0.775016 ESP Fit Center 6271 is at -8.005816 1.130026 0.775016 ESP Fit Center 6272 is at -8.049424 0.715122 0.775016 ESP Fit Center 6273 is at -8.005816 0.300218 0.775016 ESP Fit Center 6274 is at -7.876897 -0.096553 0.775016 ESP Fit Center 6275 is at -7.230818 2.476587 0.369815 ESP Fit Center 6276 is at -7.551847 2.213125 0.369815 ESP Fit Center 6277 is at -7.815310 1.892095 0.369815 ESP Fit Center 6278 is at -8.011080 1.525835 0.369815 ESP Fit Center 6279 is at -8.131634 1.128420 0.369815 ESP Fit Center 6280 is at -8.172341 0.715122 0.369815 ESP Fit Center 6281 is at -8.131634 0.301824 0.369815 ESP Fit Center 6282 is at -8.011080 -0.095591 0.369815 ESP Fit Center 6283 is at -7.133844 2.585737 -0.051580 ESP Fit Center 6284 is at -7.468344 2.347541 -0.051580 ESP Fit Center 6285 is at -7.751719 2.050345 -0.051580 ESP Fit Center 6286 is at -7.973729 1.704891 -0.051580 ESP Fit Center 6287 is at -8.126349 1.323664 -0.051580 ESP Fit Center 6288 is at -8.204064 0.920443 -0.051580 ESP Fit Center 6289 is at -8.204064 0.509801 -0.051580 ESP Fit Center 6290 is at -8.126349 0.106580 -0.051580 ESP Fit Center 6291 is at -7.973729 -0.274647 -0.051580 ESP Fit Center 6292 is at -6.864558 2.672357 -0.472975 ESP Fit Center 6293 is at -7.230818 2.476587 -0.472975 ESP Fit Center 6294 is at -7.551847 2.213125 -0.472975 ESP Fit Center 6295 is at -7.815310 1.892095 -0.472975 ESP Fit Center 6296 is at -8.011080 1.525835 -0.472975 ESP Fit Center 6297 is at -8.131634 1.128420 -0.472975 ESP Fit Center 6298 is at -8.172341 0.715122 -0.472975 ESP Fit Center 6299 is at -8.131634 0.301824 -0.472975 ESP Fit Center 6300 is at -8.011080 -0.095591 -0.472975 ESP Fit Center 6301 is at -6.670513 2.613031 -0.878177 ESP Fit Center 6302 is at -7.051634 2.443345 -0.878177 ESP Fit Center 6303 is at -7.389148 2.198127 -0.878177 ESP Fit Center 6304 is at -7.668302 1.888094 -0.878177 ESP Fit Center 6305 is at -7.876897 1.526797 -0.878177 ESP Fit Center 6306 is at -8.005816 1.130026 -0.878177 ESP Fit Center 6307 is at -8.049424 0.715122 -0.878177 ESP Fit Center 6308 is at -8.005816 0.300218 -0.878177 ESP Fit Center 6309 is at -7.876897 -0.096553 -0.878177 ESP Fit Center 6310 is at -6.158271 2.508058 -1.251612 ESP Fit Center 6311 is at -6.568936 2.435647 -1.251612 ESP Fit Center 6312 is at -6.951832 2.270481 -1.251612 ESP Fit Center 6313 is at -7.286317 2.021466 -1.251612 ESP Fit Center 6314 is at -7.554359 1.702026 -1.251612 ESP Fit Center 6315 is at -7.741508 1.329381 -1.251612 ESP Fit Center 6316 is at -7.837675 0.923622 -1.251612 ESP Fit Center 6317 is at -7.837675 0.506622 -1.251612 ESP Fit Center 6318 is at -7.741508 0.100863 -1.251612 ESP Fit Center 6319 is at -6.158075 2.238912 -1.578931 ESP Fit Center 6320 is at -6.565323 2.154285 -1.578931 ESP Fit Center 6321 is at -6.934638 1.962922 -1.578931 ESP Fit Center 6322 is at -7.238628 1.679015 -1.578931 ESP Fit Center 6323 is at -7.454748 1.323620 -1.578931 ESP Fit Center 6324 is at -7.566969 0.923096 -1.578931 ESP Fit Center 6325 is at -7.566969 0.507148 -1.578931 ESP Fit Center 6326 is at -7.454748 0.106624 -1.578931 ESP Fit Center 6327 is at -6.262228 1.896923 -1.847555 ESP Fit Center 6328 is at -6.653860 1.754380 -1.847555 ESP Fit Center 6329 is at -6.973122 1.486488 -1.847555 ESP Fit Center 6330 is at -7.181505 1.125557 -1.847555 ESP Fit Center 6331 is at -7.253876 0.715122 -1.847555 ESP Fit Center 6332 is at -6.467143 1.430975 -2.047160 ESP Fit Center 6333 is at -6.769698 1.128420 -2.047160 ESP Fit Center 6334 is at -5.301870 -0.727747 2.898358 ESP Fit Center 6335 is at -4.880475 -0.727747 2.856854 ESP Fit Center 6336 is at -5.091173 -0.362808 2.856854 ESP Fit Center 6337 is at -5.512568 -0.362808 2.856854 ESP Fit Center 6338 is at -5.723265 -0.727747 2.856854 ESP Fit Center 6339 is at -5.512568 -1.092685 2.856854 ESP Fit Center 6340 is at -5.091173 -1.092685 2.856854 ESP Fit Center 6341 is at -4.475274 -0.727747 2.733938 ESP Fit Center 6342 is at -4.586017 -0.314448 2.733938 ESP Fit Center 6343 is at -4.888572 -0.011893 2.733938 ESP Fit Center 6344 is at 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1.938390 ESP Fit Center 6381 is at -6.534343 -2.034091 1.938390 ESP Fit Center 6382 is at -6.199857 -2.283106 1.938390 ESP Fit Center 6383 is at -5.816961 -2.448271 1.938390 ESP Fit Center 6384 is at -5.406297 -2.520682 1.938390 ESP Fit Center 6385 is at -4.990003 -2.496436 1.938390 ESP Fit Center 6386 is at -4.590521 -2.376839 1.938390 ESP Fit Center 6387 is at -7.297450 -0.727747 1.564954 ESP Fit Center 6388 is at -7.253842 -1.142651 1.564954 ESP Fit Center 6389 is at -7.124923 -1.539422 1.564954 ESP Fit Center 6390 is at -6.916328 -1.900719 1.564954 ESP Fit Center 6391 is at -6.637174 -2.210751 1.564954 ESP Fit Center 6392 is at -6.299660 -2.455969 1.564954 ESP Fit Center 6393 is at -5.918538 -2.625656 1.564954 ESP Fit Center 6394 is at -5.510465 -2.712394 1.564954 ESP Fit Center 6395 is at -5.093275 -2.712394 1.564954 ESP Fit Center 6396 is at -4.685202 -2.625656 1.564954 ESP Fit Center 6397 is at -7.379660 -1.141045 1.159753 ESP Fit Center 6398 is at -7.259105 -1.538460 1.159753 ESP Fit Center 6399 is at -7.063335 -1.904720 1.159753 ESP Fit Center 6400 is at -6.799873 -2.225750 1.159753 ESP Fit Center 6401 is at -6.478844 -2.489212 1.159753 ESP Fit Center 6402 is at -6.112584 -2.684982 1.159753 ESP Fit Center 6403 is at -5.715168 -2.805536 1.159753 ESP Fit Center 6404 is at -5.301870 -2.846243 1.159753 ESP Fit Center 6405 is at -4.888572 -2.805536 1.159753 ESP Fit Center 6406 is at -7.221755 -1.717516 0.738358 ESP Fit Center 6407 is at -6.999745 -2.062970 0.738358 ESP Fit Center 6408 is at -6.716369 -2.360166 0.738358 ESP Fit Center 6409 is at -6.381870 -2.598361 0.738358 ESP Fit Center 6410 is at -6.008337 -2.768948 0.738358 ESP Fit Center 6411 is at -5.609270 -2.865761 0.738358 ESP Fit Center 6412 is at -5.199093 -2.885300 0.738358 ESP Fit Center 6413 is at -6.799873 -2.225750 0.316963 ESP Fit Center 6414 is at -6.478844 -2.489212 0.316963 ESP Fit Center 6415 is at -6.112584 -2.684982 0.316963 ESP Fit Center 6416 is at -5.715168 -2.805536 0.316963 ESP Fit Center 6417 is at -5.301870 -2.846243 0.316963 ESP Fit Center 6418 is at -5.918538 -2.625656 -0.088238 ESP Fit Center 6419 is at -5.510465 -2.712394 -0.088238 ESP Fit Center 6420 is at -5.093275 -2.712394 -0.088238 ESP Fit Center 6421 is at -5.597866 -2.621418 -0.599103 ESP Fit Center 6422 is at -5.184568 -2.662124 -0.599103 ESP Fit Center 6423 is at -6.599067 -2.176047 -1.020498 ESP Fit Center 6424 is at -6.264568 -2.414242 -1.020498 ESP Fit Center 6425 is at -5.891034 -2.584829 -1.020498 ESP Fit Center 6426 is at -5.491968 -2.681642 -1.020498 ESP Fit Center 6427 is at -5.081791 -2.701181 -1.020498 ESP Fit Center 6428 is at -7.141803 -1.354341 -1.441893 ESP Fit Center 6429 is at -6.946033 -1.720601 -1.441893 ESP Fit Center 6430 is at -6.682571 -2.041631 -1.441893 ESP Fit Center 6431 is at -6.361541 -2.305093 -1.441893 ESP Fit Center 6432 is at -5.995281 -2.500863 -1.441893 ESP Fit Center 6433 is at -5.597866 -2.621418 -1.441893 ESP Fit Center 6434 is at -5.184568 -2.662124 -1.441893 ESP Fit Center 6435 is at -4.771270 -2.621418 -1.441893 ESP Fit Center 6436 is at -7.180147 -0.543628 -1.847094 ESP Fit Center 6437 is at -7.136539 -0.958532 -1.847094 ESP Fit Center 6438 is at -7.007620 -1.355303 -1.847094 ESP Fit Center 6439 is at -6.799026 -1.716600 -1.847094 ESP Fit Center 6440 is at -6.519871 -2.026632 -1.847094 ESP Fit Center 6441 is at -6.182358 -2.271850 -1.847094 ESP Fit Center 6442 is at -5.801236 -2.441537 -1.847094 ESP Fit Center 6443 is at -5.393163 -2.528275 -1.847094 ESP Fit Center 6444 is at -4.975973 -2.528275 -1.847094 ESP Fit Center 6445 is at -4.567900 -2.441537 -1.847094 ESP Fit Center 6446 is at -6.872231 0.070632 -2.220530 ESP Fit Center 6447 is at -6.968398 -0.335128 -2.220530 ESP Fit Center 6448 is at -6.968398 -0.752128 -2.220530 ESP Fit Center 6449 is at -6.872231 -1.157887 -2.220530 ESP Fit Center 6450 is at -6.685082 -1.530532 -2.220530 ESP Fit Center 6451 is at -6.417040 -1.849972 -2.220530 ESP Fit Center 6452 is at -6.082555 -2.098987 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is at -5.605963 -0.543628 -3.138994 ESP Fit Center 6507 is at -5.395265 -0.908566 -3.138994 ESP Fit Center 6508 is at -4.973870 -0.908566 -3.138994 ESP Fit Center 6509 is at -5.184568 -0.543628 -3.180498 ESP Fit Center 6510 is at -4.896103 2.466582 2.893307 ESP Fit Center 6511 is at -4.685405 2.831520 2.851803 ESP Fit Center 6512 is at -5.106800 2.831520 2.851803 ESP Fit Center 6513 is at -5.317498 2.466582 2.851803 ESP Fit Center 6514 is at -5.106800 2.101643 2.851803 ESP Fit Center 6515 is at -4.482804 3.182435 2.728887 ESP Fit Center 6516 is at -4.896103 3.293178 2.728887 ESP Fit Center 6517 is at -5.309401 3.182435 2.728887 ESP Fit Center 6518 is at -5.611956 2.879880 2.728887 ESP Fit Center 6519 is at -5.722699 2.466582 2.728887 ESP Fit Center 6520 is at -5.611956 2.053283 2.728887 ESP Fit Center 6521 is at -5.309401 1.750728 2.728887 ESP Fit Center 6522 is at -4.687719 3.648382 2.529281 ESP Fit Center 6523 is at -5.104486 3.648382 2.529281 ESP Fit Center 6524 is at -5.496118 3.505839 2.529281 ESP Fit Center 6525 is at -5.815380 3.237947 2.529281 ESP Fit Center 6526 is at -6.023763 2.877017 2.529281 ESP Fit Center 6527 is at -6.096134 2.466582 2.529281 ESP Fit Center 6528 is at -6.023763 2.056147 2.529281 ESP Fit Center 6529 is at -5.815380 1.695216 2.529281 ESP Fit Center 6530 is at -5.496118 1.427324 2.529281 ESP Fit Center 6531 is at -4.585354 3.961986 2.260658 ESP Fit Center 6532 is at -5.000333 3.990372 2.260658 ESP Fit Center 6533 is at -5.407581 3.905744 2.260658 ESP Fit Center 6534 is at -5.776896 3.714381 2.260658 ESP Fit Center 6535 is at -6.080886 3.430474 2.260658 ESP Fit Center 6536 is at -6.297006 3.075080 2.260658 ESP Fit Center 6537 is at -6.409227 2.674556 2.260658 ESP Fit Center 6538 is at -6.409227 2.258607 2.260658 ESP Fit Center 6539 is at -6.297006 1.858083 2.260658 ESP Fit Center 6540 is at -6.080886 1.502689 2.260658 ESP Fit Center 6541 is at -4.584235 4.235271 1.933339 ESP Fit Center 6542 is at -5.000529 4.259517 1.933339 ESP Fit Center 6543 is at -5.411194 4.187106 1.933339 ESP Fit Center 6544 is at -5.794090 4.021941 1.933339 ESP Fit Center 6545 is at -6.128575 3.772926 1.933339 ESP Fit Center 6546 is at -6.396617 3.453486 1.933339 ESP Fit Center 6547 is at -6.583766 3.080841 1.933339 ESP Fit Center 6548 is at -6.679933 2.675081 1.933339 ESP Fit Center 6549 is at -6.679933 2.258082 1.933339 ESP Fit Center 6550 is at -6.583766 1.852322 1.933339 ESP Fit Center 6551 is at -4.687508 4.451229 1.559903 ESP Fit Center 6552 is at -5.104697 4.451229 1.559903 ESP Fit Center 6553 is at -5.512771 4.364491 1.559903 ESP Fit Center 6554 is at -5.893892 4.194804 1.559903 ESP Fit Center 6555 is at -6.231406 3.949586 1.559903 ESP Fit Center 6556 is at -6.510561 3.639554 1.559903 ESP Fit Center 6557 is at -6.719155 3.278257 1.559903 ESP Fit Center 6558 is at -6.848074 2.881486 1.559903 ESP Fit Center 6559 is at -6.891682 2.466582 1.559903 ESP Fit Center 6560 is at -6.848074 2.051677 1.559903 ESP Fit Center 6561 is at -4.896103 4.585078 1.154702 ESP Fit Center 6562 is at -5.309401 4.544371 1.154702 ESP Fit Center 6563 is at -5.706816 4.423817 1.154702 ESP Fit Center 6564 is at -6.073076 4.228047 1.154702 ESP Fit Center 6565 is at -6.394106 3.964585 1.154702 ESP Fit Center 6566 is at -6.657568 3.643555 1.154702 ESP Fit Center 6567 is at -6.853338 3.277295 1.154702 ESP Fit Center 6568 is at -6.973892 2.879880 1.154702 ESP Fit Center 6569 is at -7.014599 2.466582 1.154702 ESP Fit Center 6570 is at -5.203503 4.604596 0.733307 ESP Fit Center 6571 is at -5.602569 4.507783 0.733307 ESP Fit Center 6572 is at -5.976103 4.337196 0.733307 ESP Fit Center 6573 is at -6.310602 4.099001 0.733307 ESP Fit Center 6574 is at -6.593977 3.801805 0.733307 ESP Fit Center 6575 is at -6.815987 3.456351 0.733307 ESP Fit Center 6576 is at -6.968607 3.075124 0.733307 ESP Fit Center 6577 is at -7.046322 2.671903 0.733307 ESP Fit Center 6578 is at -5.309401 4.544371 0.311912 ESP Fit Center 6579 is at -5.706816 4.423817 0.311912 ESP Fit Center 6580 is at -6.073076 4.228047 0.311912 ESP Fit Center 6581 is at -6.394106 3.964585 0.311912 ESP Fit Center 6582 is at -6.657568 3.643555 0.311912 ESP Fit Center 6583 is at -6.853338 3.277295 0.311912 ESP Fit Center 6584 is at -6.973892 2.879880 0.311912 ESP Fit Center 6585 is at -5.512771 4.364491 -0.093289 ESP Fit Center 6586 is at -5.893892 4.194804 -0.093289 ESP Fit Center 6587 is at -6.231406 3.949586 -0.093289 ESP Fit Center 6588 is at -6.510561 3.639554 -0.093289 ESP Fit Center 6589 is at -6.719155 3.278257 -0.093289 ESP Fit Center 6590 is at -6.848074 2.881486 -0.093289 ESP Fit Center 6591 is at -5.794090 4.021941 -0.466725 ESP Fit Center 6592 is at -6.128575 3.772926 -0.466725 ESP Fit Center 6593 is at -6.396617 3.453486 -0.466725 ESP Fit Center 6594 is at -6.583766 3.080841 -0.466725 ESP Fit Center 6595 is at -6.080886 3.430474 -0.794044 ESP Fit Center 6596 is at -6.297006 3.075080 -0.794044 ESP Fit Center 6597 is at -2.969990 4.589540 -0.723532 ESP Fit Center 6598 is at -3.358047 4.723848 -0.723532 ESP Fit Center 6599 is at -3.764509 4.782288 -0.723532 ESP Fit Center 6600 is at -4.174686 4.762749 -0.723532 ESP Fit Center 6601 is at -4.573753 4.665936 -0.723532 ESP Fit Center 6602 is at -4.947286 4.495350 -0.723532 ESP Fit Center 6603 is at -2.690313 4.386200 -1.144927 ESP Fit Center 6604 is at -3.056573 4.581970 -1.144927 ESP Fit Center 6605 is at -3.453988 4.702525 -1.144927 ESP Fit Center 6606 is at -3.867286 4.743231 -1.144927 ESP Fit Center 6607 is at -4.280584 4.702525 -1.144927 ESP Fit Center 6608 is at -4.677999 4.581970 -1.144927 ESP Fit Center 6609 is at -5.044260 4.386200 -1.144927 ESP Fit Center 6610 is at -5.365289 4.122738 -1.144927 ESP Fit Center 6611 is at -5.628751 3.801708 -1.144927 ESP Fit Center 6612 is at -1.871706 2.624735 -1.550128 ESP Fit Center 6613 is at -2.869496 4.352957 -1.550128 ESP Fit Center 6614 is at -3.250618 4.522644 -1.550128 ESP Fit Center 6615 is at -3.658691 4.609382 -1.550128 ESP Fit Center 6616 is at -4.075881 4.609382 -1.550128 ESP Fit Center 6617 is at -4.483954 4.522644 -1.550128 ESP Fit Center 6618 is at -4.865076 4.352957 -1.550128 ESP Fit Center 6619 is at -5.202590 4.107739 -1.550128 ESP Fit Center 6620 is at -5.481744 3.797707 -1.550128 ESP Fit Center 6621 is at -5.690339 3.436410 -1.550128 ESP Fit Center 6622 is at -5.819258 3.039639 -1.550128 ESP Fit Center 6623 is at -1.915314 2.209830 -1.550128 ESP Fit Center 6624 is at -2.071312 2.624735 -1.923564 ESP Fit Center 6625 is at -2.119722 3.038915 -1.923564 ESP Fit Center 6626 is at -2.262345 3.430766 -1.923564 ESP Fit Center 6627 is at -2.491490 3.779165 -1.923564 ESP Fit Center 6628 is at -2.794805 4.065327 -1.923564 ESP Fit Center 6629 is at -3.155937 4.273827 -1.923564 ESP Fit Center 6630 is at -3.555418 4.393424 -1.923564 ESP Fit Center 6631 is at -3.971713 4.417671 -1.923564 ESP Fit Center 6632 is at -4.382377 4.345259 -1.923564 ESP Fit Center 6633 is at -4.765273 4.180094 -1.923564 ESP Fit Center 6634 is at -5.099758 3.931079 -1.923564 ESP Fit Center 6635 is at -5.367801 3.611639 -1.923564 ESP Fit Center 6636 is at -5.554950 3.238994 -1.923564 ESP Fit Center 6637 is at -5.651117 2.833235 -1.923564 ESP Fit Center 6638 is at -5.651117 2.416235 -1.923564 ESP Fit Center 6639 is at -5.554950 2.010475 -1.923564 ESP Fit Center 6640 is at -2.262345 1.818703 -1.923564 ESP Fit Center 6641 is at -2.119722 2.210554 -1.923564 ESP Fit Center 6642 is at -2.339935 2.624735 -2.250883 ESP Fit Center 6643 is at -2.396574 3.036809 -2.250883 ESP Fit Center 6644 is at -2.562288 3.418322 -2.250883 ESP Fit Center 6645 is at -2.824788 3.740977 -2.250883 ESP Fit Center 6646 is at -3.164605 3.980847 -2.250883 ESP Fit Center 6647 is at -3.556537 4.120139 -2.250883 ESP Fit Center 6648 is at -3.971516 4.148525 -2.250883 ESP Fit Center 6649 is at -4.378765 4.063898 -2.250883 ESP Fit Center 6650 is at -4.748079 3.872534 -2.250883 ESP Fit Center 6651 is at -5.052069 3.588627 -2.250883 ESP Fit Center 6652 is at -5.268189 3.233233 -2.250883 ESP Fit Center 6653 is at -5.380411 2.832709 -2.250883 ESP Fit Center 6654 is at -5.380411 2.416760 -2.250883 ESP Fit Center 6655 is at -5.268189 2.016237 -2.250883 ESP Fit Center 6656 is at -5.052069 1.660842 -2.250883 ESP Fit Center 6657 is at -2.824788 1.508492 -2.250883 ESP Fit Center 6658 is at -2.562288 1.831148 -2.250883 ESP Fit Center 6659 is at -2.396574 2.212660 -2.250883 ESP Fit Center 6660 is at -2.667254 2.624735 -2.519506 ESP Fit Center 6661 is at -2.739625 3.035170 -2.519506 ESP Fit Center 6662 is at -2.948008 3.396100 -2.519506 ESP Fit Center 6663 is at -3.267270 3.663993 -2.519506 ESP Fit Center 6664 is at -3.658903 3.806535 -2.519506 ESP Fit Center 6665 is at -4.075669 3.806535 -2.519506 ESP Fit Center 6666 is at -4.467302 3.663993 -2.519506 ESP Fit Center 6667 is at -4.786564 3.396100 -2.519506 ESP Fit Center 6668 is at -4.994947 3.035170 -2.519506 ESP Fit Center 6669 is at -5.067318 2.624735 -2.519506 ESP Fit Center 6670 is at -4.994947 2.214300 -2.519506 ESP Fit Center 6671 is at -4.786564 1.853369 -2.519506 ESP Fit Center 6672 is at -4.467302 1.585477 -2.519506 ESP Fit Center 6673 is at -4.075669 1.442934 -2.519506 ESP Fit Center 6674 is at -3.658903 1.442934 -2.519506 ESP Fit Center 6675 is at -3.267270 1.585477 -2.519506 ESP Fit Center 6676 is at -2.948008 1.853369 -2.519506 ESP Fit Center 6677 is at -2.739625 2.214300 -2.519506 ESP Fit Center 6678 is at -3.040690 2.624735 -2.719112 ESP Fit Center 6679 is at -3.151433 3.038033 -2.719112 ESP Fit Center 6680 is at -3.453988 3.340588 -2.719112 ESP Fit Center 6681 is at -3.867286 3.451331 -2.719112 ESP Fit Center 6682 is at -4.280584 3.340588 -2.719112 ESP Fit Center 6683 is at -4.583139 3.038033 -2.719112 ESP Fit Center 6684 is at -4.693882 2.624735 -2.719112 ESP Fit Center 6685 is at -4.583139 2.211437 -2.719112 ESP Fit Center 6686 is at -4.280584 1.908881 -2.719112 ESP Fit Center 6687 is at -3.867286 1.798138 -2.719112 ESP Fit Center 6688 is at -3.453988 1.908881 -2.719112 ESP Fit Center 6689 is at -3.151433 2.211437 -2.719112 ESP Fit Center 6690 is at -3.445891 2.624735 -2.842028 ESP Fit Center 6691 is at -3.656589 2.989674 -2.842028 ESP Fit Center 6692 is at -4.077984 2.989674 -2.842028 ESP Fit Center 6693 is at -4.288681 2.624735 -2.842028 ESP Fit Center 6694 is at -4.077984 2.259796 -2.842028 ESP Fit Center 6695 is at -3.656589 2.259796 -2.842028 ESP Fit Center 6696 is at -3.867286 2.624735 -2.883532 ESP Fit Center 6697 is at -3.083601 2.434584 3.032608 ESP Fit Center 6698 is at -2.662206 2.434584 2.991104 ESP Fit Center 6699 is at -2.872904 2.799523 2.991104 ESP Fit Center 6700 is at -3.294299 2.799523 2.991104 ESP Fit Center 6701 is at -3.504996 2.434584 2.991104 ESP Fit Center 6702 is at -3.294299 2.069645 2.991104 ESP Fit Center 6703 is at -2.872904 2.069645 2.991104 ESP Fit Center 6704 is at -2.257005 2.434584 2.868187 ESP Fit Center 6705 is at -2.367748 2.847882 2.868187 ESP Fit Center 6706 is at -2.670303 3.150438 2.868187 ESP Fit Center 6707 is at -3.083601 3.261181 2.868187 ESP Fit Center 6708 is at -3.496899 3.150438 2.868187 ESP Fit Center 6709 is at -3.799455 2.847882 2.868187 ESP Fit Center 6710 is at -3.083601 1.607988 2.868187 ESP Fit Center 6711 is at -2.670303 1.718731 2.868187 ESP Fit Center 6712 is at -2.367748 2.021286 2.868187 ESP Fit Center 6713 is at -1.883570 2.434584 2.668582 ESP Fit Center 6714 is at -1.955940 2.845019 2.668582 ESP Fit Center 6715 is at -2.164324 3.205950 2.668582 ESP Fit Center 6716 is at -2.483586 3.473842 2.668582 ESP Fit Center 6717 is at -2.875218 3.616385 2.668582 ESP Fit Center 6718 is at -3.291985 3.616385 2.668582 ESP Fit Center 6719 is at -3.683617 3.473842 2.668582 ESP Fit Center 6720 is at -2.875218 1.252784 2.668582 ESP Fit Center 6721 is at -2.483586 1.395326 2.668582 ESP Fit Center 6722 is at -2.164324 1.663219 2.668582 ESP Fit Center 6723 is at -1.955940 2.024149 2.668582 ESP Fit Center 6724 is at -1.556251 2.434584 2.399958 ESP Fit Center 6725 is at -1.612889 2.846659 2.399958 ESP Fit Center 6726 is at -1.778603 3.228171 2.399958 ESP Fit Center 6727 is at -2.041103 3.550827 2.399958 ESP Fit Center 6728 is at -2.380921 3.790696 2.399958 ESP Fit Center 6729 is at -2.772853 3.929989 2.399958 ESP Fit Center 6730 is at -3.187831 3.958374 2.399958 ESP Fit Center 6731 is at -3.595080 3.873747 2.399958 ESP Fit Center 6732 is at -2.041103 1.318342 2.399958 ESP Fit Center 6733 is at -1.778603 1.640997 2.399958 ESP Fit Center 6734 is at -1.612889 2.022510 2.399958 ESP Fit Center 6735 is at -1.287627 2.434584 2.072639 ESP Fit Center 6736 is at -1.336038 2.848764 2.072639 ESP Fit Center 6737 is at -2.372252 4.083677 2.072639 ESP Fit Center 6738 is at -2.771734 4.203274 2.072639 ESP Fit Center 6739 is at -3.188028 4.227520 2.072639 ESP Fit Center 6740 is at -3.598693 4.155109 2.072639 ESP Fit Center 6741 is at -1.478660 1.628552 2.072639 ESP Fit Center 6742 is at -1.336038 2.020404 2.072639 ESP Fit Center 6743 is at -2.875006 4.419232 1.699204 ESP Fit Center 6744 is at -3.292196 4.419232 1.699204 ESP Fit Center 6745 is at -2.670303 4.512374 1.294003 ESP Fit Center 6746 is at -3.083601 4.553081 1.294003 ESP Fit Center 6747 is at -2.980824 4.592138 0.872608 ESP Fit Center 6748 is at 1.158213 3.541379 2.648764 ESP Fit Center 6749 is at 0.947027 3.907165 2.615522 ESP Fit Center 6750 is at 0.735840 3.541379 2.615522 ESP Fit Center 6751 is at 0.947027 3.175594 2.615522 ESP Fit Center 6752 is at 1.369400 3.175594 2.615522 ESP Fit Center 6753 is at 1.158213 4.375725 2.516616 ESP Fit Center 6754 is at 0.741041 4.263944 2.516616 ESP Fit Center 6755 is at 0.435649 3.124206 2.516616 ESP Fit Center 6756 is at 1.771101 4.602931 -2.456954 ESP Fit Center 6757 is at 2.097211 2.753467 -2.456954 ESP Fit Center 6758 is at 1.992559 3.541379 -2.619089 ESP Fit Center 6759 is at 1.880778 3.958552 -2.619089 ESP Fit Center 6760 is at 1.575386 4.263944 -2.619089 ESP Fit Center 6761 is at 1.158213 4.375725 -2.619089 ESP Fit Center 6762 is at 0.435649 3.124206 -2.619089 ESP Fit Center 6763 is at 1.575386 2.818815 -2.619089 ESP Fit Center 6764 is at 1.880778 3.124206 -2.619089 ESP Fit Center 6765 is at 1.580587 3.541379 -2.717995 ESP Fit Center 6766 is at 1.369400 3.907165 -2.717995 ESP Fit Center 6767 is at 0.947027 3.907165 -2.717995 ESP Fit Center 6768 is at 0.735840 3.541379 -2.717995 ESP Fit Center 6769 is at 0.947027 3.175594 -2.717995 ESP Fit Center 6770 is at 1.369400 3.175594 -2.717995 ESP Fit Center 6771 is at 1.158213 3.541379 -2.751236 ESP Fit Center 6772 is at -1.547766 2.551262 -1.642530 ESP Fit Center 6773 is at -1.659988 2.150738 -1.642530 ESP Fit Center 6774 is at -1.274524 2.353199 -1.911153 ESP Fit Center 6775 is at -1.346895 1.942764 -1.911153 ESP Fit Center 6776 is at -1.274524 1.532329 -1.911153 ESP Fit Center 6777 is at -0.973459 1.942764 -2.110759 ESP Fit Center 6778 is at -0.862717 1.529466 -2.110759 ESP Fit Center 6779 is at 0.840607 4.948777 2.438004 ESP Fit Center 6780 is at 1.269893 4.950844 2.275869 ESP Fit Center 6781 is at 1.057040 5.319517 2.275869 ESP Fit Center 6782 is at 0.730929 5.593156 2.275869 ESP Fit Center 6783 is at 0.330896 5.738756 2.275869 ESP Fit Center 6784 is at 1.240235 5.653797 2.054497 ESP Fit Center 6785 is at 0.911552 5.906004 2.054497 ESP Fit Center 6786 is at 0.528793 6.064548 2.054497 ESP Fit Center 6787 is at 0.118042 6.118625 2.054497 ESP Fit Center 6788 is at 0.118042 6.440793 1.779339 ESP Fit Center 6789 is at -0.306792 6.392925 1.779339 ESP Fit Center 6790 is at -0.596387 6.595813 1.457171 ESP Fit Center 6791 is at -0.704762 6.792239 1.095925 ESP Fit Center 6792 is at -1.084817 6.615017 1.095925 ESP Fit Center 6793 is at -1.428323 6.374491 1.095925 ESP Fit Center 6794 is at -0.913452 6.883175 0.704497 ESP Fit Center 6795 is at -1.286440 6.681324 0.704497 ESP Fit Center 6796 is at -1.621117 6.420835 0.704497 ESP Fit Center 6797 is at -1.908354 6.108812 0.704497 ESP Fit Center 6798 is at -1.092641 6.907704 0.292524 ESP Fit Center 6799 is at -1.449439 6.689057 0.292524 ESP Fit Center 6800 is at -1.767641 6.417287 0.292524 ESP Fit Center 6801 is at -2.039411 6.099086 0.292524 ESP Fit Center 6802 is at -2.258057 5.742287 0.292524 ESP Fit Center 6803 is at -1.349590 6.797891 -0.129849 ESP Fit Center 6804 is at -1.678337 6.547298 -0.129849 ESP Fit Center 6805 is at -1.964979 6.249459 -0.129849 ESP Fit Center 6806 is at -2.202796 5.911355 -0.129849 ESP Fit Center 6807 is at -2.386214 5.540910 -0.129849 ESP Fit Center 6808 is at -2.510935 5.146809 -0.129849 ESP Fit Center 6809 is at -2.574035 4.738287 -0.129849 ESP Fit Center 6810 is at -1.092641 6.907704 -0.552222 ESP Fit Center 6811 is at -1.449439 6.689057 -0.552222 ESP Fit Center 6812 is at -1.767641 6.417287 -0.552222 ESP Fit Center 6813 is at -2.039411 6.099086 -0.552222 ESP Fit Center 6814 is at -2.258057 5.742287 -0.552222 ESP Fit Center 6815 is at -2.418196 5.355678 -0.552222 ESP Fit Center 6816 is at -1.286440 6.681324 -0.964195 ESP Fit Center 6817 is at -1.621117 6.420835 -0.964195 ESP Fit Center 6818 is at -1.908354 6.108812 -0.964195 ESP Fit Center 6819 is at -2.140317 5.753767 -0.964195 ESP Fit Center 6820 is at -1.084817 6.615017 -1.355623 ESP Fit Center 6821 is at -1.428323 6.374491 -1.355623 ESP Fit Center 6822 is at -0.596387 6.595813 -1.716869 ESP Fit Center 6823 is at -0.974131 6.423303 -1.716869 ESP Fit Center 6824 is at -0.306792 6.392925 -2.039037 ESP Fit Center 6825 is at -0.710324 6.251724 -2.039037 ESP Fit Center 6826 is at 1.650986 4.942355 -2.314195 ESP Fit Center 6827 is at 1.492442 5.325114 -2.314195 ESP Fit Center 6828 is at 1.240235 5.653797 -2.314195 ESP Fit Center 6829 is at 0.911552 5.906004 -2.314195 ESP Fit Center 6830 is at 0.528793 6.064548 -2.314195 ESP Fit Center 6831 is at 0.118042 6.118625 -2.314195 ESP Fit Center 6832 is at -0.292709 6.064548 -2.314195 ESP Fit Center 6833 is at 1.269893 4.950844 -2.535567 ESP Fit Center 6834 is at 1.057040 5.319517 -2.535567 ESP Fit Center 6835 is at 0.730929 5.593156 -2.535567 ESP Fit Center 6836 is at 0.330896 5.738756 -2.535567 ESP Fit Center 6837 is at 0.952388 4.531604 -2.697702 ESP Fit Center 6838 is at 0.840607 4.948777 -2.697702 ESP Fit Center 6839 is at 0.535215 5.254169 -2.697702 ESP Fit Center 6840 is at 2.531573 5.523920 2.275500 ESP Fit Center 6841 is at 2.120822 5.469844 2.275500 ESP Fit Center 6842 is at 1.738063 5.311300 2.275500 ESP Fit Center 6843 is at 1.409381 5.059093 2.275500 ESP Fit Center 6844 is at 3.359939 5.657019 2.000343 ESP Fit Center 6845 is at 2.956408 5.798221 2.000343 ESP Fit Center 6846 is at 2.531573 5.846088 2.000343 ESP Fit Center 6847 is at 2.106739 5.798221 2.000343 ESP Fit Center 6848 is at 1.703208 5.657019 2.000343 ESP Fit Center 6849 is at 4.112459 5.444271 1.678174 ESP Fit Center 6850 is at 3.798618 5.716215 1.678174 ESP Fit Center 6851 is at 1.817144 6.001108 1.678174 ESP Fit Center 6852 is at 4.792209 4.759704 1.316929 ESP Fit Center 6853 is at 4.614986 5.139759 1.316929 ESP Fit Center 6854 is at 4.374460 5.483265 1.316929 ESP Fit Center 6855 is at 5.099426 3.936900 0.925500 ESP Fit Center 6856 is at 5.064404 4.359554 0.925500 ESP Fit Center 6857 is at 4.960293 4.770680 0.925500 ESP Fit Center 6858 is at 4.789932 5.159063 0.925500 ESP Fit Center 6859 is at 4.557970 5.514107 0.925500 ESP Fit Center 6860 is at 4.557970 2.359692 0.925500 ESP Fit Center 6861 is at 4.789932 2.714737 0.925500 ESP Fit Center 6862 is at 4.960293 3.103119 0.925500 ESP Fit Center 6863 is at 5.064404 3.514245 0.925500 ESP Fit Center 6864 is at 5.198332 3.936900 0.513527 ESP Fit Center 6865 is at 5.165500 4.354073 0.513527 ESP Fit Center 6866 is at 5.067811 4.760973 0.513527 ESP Fit Center 6867 is at 4.907673 5.147583 0.513527 ESP Fit Center 6868 is at 4.689026 5.504381 0.513527 ESP Fit Center 6869 is at 4.907673 2.726217 0.513527 ESP Fit Center 6870 is at 5.067811 3.112826 0.513527 ESP Fit Center 6871 is at 5.165500 3.519727 0.513527 ESP Fit Center 6872 is at 5.231573 3.936900 0.091154 ESP Fit Center 6873 is at 5.199931 4.349053 0.091154 ESP Fit Center 6874 is at 5.105744 4.751545 0.091154 ESP Fit Center 6875 is at 4.951220 5.134943 0.091154 ESP Fit Center 6876 is at 4.739983 5.490260 0.091154 ESP Fit Center 6877 is at 5.199931 3.524747 0.091154 ESP Fit Center 6878 is at 5.165500 4.354073 -0.331219 ESP Fit Center 6879 is at 5.067811 4.760973 -0.331219 ESP Fit Center 6880 is at 4.907673 5.147583 -0.331219 ESP Fit Center 6881 is at 5.064404 4.359554 -0.743192 ESP Fit Center 6882 is at 4.960293 4.770680 -0.743192 ESP Fit Center 6883 is at 4.789932 5.159063 -0.743192 ESP Fit Center 6884 is at 4.792209 4.759704 -1.134620 ESP Fit Center 6885 is at 4.614986 5.139759 -1.134620 ESP Fit Center 6886 is at 4.559450 4.748739 -1.495866 ESP Fit Center 6887 is at 4.369162 5.117846 -1.495866 ESP Fit Center 6888 is at 4.024237 5.127259 -1.818034 ESP Fit Center 6889 is at 3.653766 5.059093 -2.093192 ESP Fit Center 6890 is at 3.470571 4.724812 -2.314563 ESP Fit Center 6891 is at 3.144461 4.998452 -2.314563 ESP Fit Center 6892 is at 2.744427 5.144052 -2.314563 ESP Fit Center 6893 is at 2.318720 5.144052 -2.314563 ESP Fit Center 6894 is at 1.918686 4.998452 -2.314563 ESP Fit Center 6895 is at 2.948746 4.659465 -2.476698 ESP Fit Center 6896 is at 2.531573 4.771246 -2.476698 ESP Fit Center 6897 is at 2.114400 4.659465 -2.476698 ESP Fit Center 6898 is at 2.742760 4.302686 -2.575604 ESP Fit Center 6899 is at 2.320387 4.302686 -2.575604 ESP Fit Center 6900 is at 2.109200 3.936900 -2.575604 ESP Fit Center 6901 is at 2.531573 3.936900 -2.608846 ESP Fit Center 6902 is at 0.969828 6.261370 1.828324 ESP Fit Center 6903 is at 0.556530 6.372113 1.828324 ESP Fit Center 6904 is at 1.475807 6.316882 1.628719 ESP Fit Center 6905 is at 1.156546 6.584775 1.628719 ESP Fit Center 6906 is at 0.764913 6.727317 1.628719 ESP Fit Center 6907 is at 0.348146 6.727317 1.628719 ESP Fit Center 6908 is at -0.043486 6.584775 1.628719 ESP Fit Center 6909 is at 1.599028 6.661760 1.360095 ESP Fit Center 6910 is at 1.259210 6.901629 1.360095 ESP Fit Center 6911 is at 0.867278 7.040922 1.360095 ESP Fit Center 6912 is at 0.452300 7.069307 1.360095 ESP Fit Center 6913 is at 0.045051 6.984680 1.360095 ESP Fit Center 6914 is at -0.324263 6.793316 1.360095 ESP Fit Center 6915 is at 1.629011 6.986109 1.032776 ESP Fit Center 6916 is at 1.267879 7.194609 1.032776 ESP Fit Center 6917 is at 0.868397 7.314206 1.032776 ESP Fit Center 6918 is at 0.452103 7.338453 1.032776 ESP Fit Center 6919 is at 0.041438 7.266041 1.032776 ESP Fit Center 6920 is at -0.341457 7.100876 1.032776 ESP Fit Center 6921 is at -0.675943 6.851861 1.032776 ESP Fit Center 6922 is at 1.891833 7.028522 0.659341 ESP Fit Center 6923 is at 1.554320 7.273740 0.659341 ESP Fit Center 6924 is at 1.173198 7.443426 0.659341 ESP Fit Center 6925 is at 0.765125 7.530165 0.659341 ESP Fit Center 6926 is at 0.347935 7.530165 0.659341 ESP Fit Center 6927 is at -0.060138 7.443426 0.659341 ESP Fit Center 6928 is at -0.441260 7.273740 0.659341 ESP Fit Center 6929 is at -0.778774 7.028522 0.659341 ESP Fit Center 6930 is at 1.733503 7.306982 0.254139 ESP Fit Center 6931 is at 1.367243 7.502752 0.254139 ESP Fit Center 6932 is at 0.969828 7.623307 0.254139 ESP Fit Center 6933 is at 0.556530 7.664013 0.254139 ESP Fit Center 6934 is at 0.143232 7.623307 0.254139 ESP Fit Center 6935 is at -0.254184 7.502752 0.254139 ESP Fit Center 6936 is at -0.620444 7.306982 0.254139 ESP Fit Center 6937 is at -0.941473 7.043520 0.254139 ESP Fit Center 6938 is at 1.809453 7.305001 -0.167256 ESP Fit Center 6939 is at 1.453826 7.510322 -0.167256 ESP Fit Center 6940 is at 1.065769 7.644630 -0.167256 ESP Fit Center 6941 is at 0.659307 7.703070 -0.167256 ESP Fit Center 6942 is at 0.249130 7.683531 -0.167256 ESP Fit Center 6943 is at -0.149937 7.586719 -0.167256 ESP Fit Center 6944 is at -0.523470 7.416132 -0.167256 ESP Fit Center 6945 is at -0.857969 7.177936 -0.167256 ESP Fit Center 6946 is at 2.054533 7.043520 -0.588651 ESP Fit Center 6947 is at 1.733503 7.306982 -0.588651 ESP Fit Center 6948 is at 1.367243 7.502752 -0.588651 ESP Fit Center 6949 is at 0.969828 7.623307 -0.588651 ESP Fit Center 6950 is at 0.556530 7.664013 -0.588651 ESP Fit Center 6951 is at 0.143232 7.623307 -0.588651 ESP Fit Center 6952 is at -0.254184 7.502752 -0.588651 ESP Fit Center 6953 is at -0.620444 7.306982 -0.588651 ESP Fit Center 6954 is at -0.941473 7.043520 -0.588651 ESP Fit Center 6955 is at 1.891833 7.028522 -0.993852 ESP Fit Center 6956 is at 1.554320 7.273740 -0.993852 ESP Fit Center 6957 is at 1.173198 7.443426 -0.993852 ESP Fit Center 6958 is at 0.765125 7.530165 -0.993852 ESP Fit Center 6959 is at 0.347935 7.530165 -0.993852 ESP Fit Center 6960 is at -0.060138 7.443426 -0.993852 ESP Fit Center 6961 is at -0.441260 7.273740 -0.993852 ESP Fit Center 6962 is at -0.778774 7.028522 -0.993852 ESP Fit Center 6963 is at 1.932326 6.699947 -1.367287 ESP Fit Center 6964 is at 1.629011 6.986109 -1.367287 ESP Fit Center 6965 is at 1.267879 7.194609 -1.367287 ESP Fit Center 6966 is at 0.868397 7.314206 -1.367287 ESP Fit Center 6967 is at 0.452103 7.338453 -1.367287 ESP Fit Center 6968 is at 0.041438 7.266041 -1.367287 ESP Fit Center 6969 is at -0.341457 7.100876 -1.367287 ESP Fit Center 6970 is at -0.675943 6.851861 -1.367287 ESP Fit Center 6971 is at 1.861528 6.339104 -1.694606 ESP Fit Center 6972 is at 1.599028 6.661760 -1.694606 ESP Fit Center 6973 is at 1.259210 6.901629 -1.694606 ESP Fit Center 6974 is at 0.867278 7.040922 -1.694606 ESP Fit Center 6975 is at 0.452300 7.069307 -1.694606 ESP Fit Center 6976 is at 0.045051 6.984680 -1.694606 ESP Fit Center 6977 is at -0.324263 6.793316 -1.694606 ESP Fit Center 6978 is at 1.684191 5.955952 -1.963230 ESP Fit Center 6979 is at 1.475807 6.316882 -1.963230 ESP Fit Center 6980 is at 1.156546 6.584775 -1.963230 ESP Fit Center 6981 is at 0.764913 6.727317 -1.963230 ESP Fit Center 6982 is at 0.348146 6.727317 -1.963230 ESP Fit Center 6983 is at -0.043486 6.584775 -1.963230 ESP Fit Center 6984 is at 1.272383 5.958815 -2.162835 ESP Fit Center 6985 is at 0.969828 6.261370 -2.162835 ESP Fit Center 6986 is at 0.556530 6.372113 -2.162835 ESP Fit Center 6987 is at -0.534974 4.433764 2.911773 ESP Fit Center 6988 is at -0.113579 4.433764 2.870269 ESP Fit Center 6989 is at -0.324276 4.798703 2.870269 ESP Fit Center 6990 is at -0.745671 4.798703 2.870269 ESP Fit Center 6991 is at -0.956369 4.433764 2.870269 ESP Fit Center 6992 is at -0.745671 4.068825 2.870269 ESP Fit Center 6993 is at -0.324276 4.068825 2.870269 ESP Fit Center 6994 is at 0.291623 4.433764 2.747352 ESP Fit Center 6995 is at 0.180880 4.847062 2.747352 ESP Fit Center 6996 is at -0.121676 5.149618 2.747352 ESP Fit Center 6997 is at -0.534974 5.260361 2.747352 ESP Fit Center 6998 is at -0.948272 5.149618 2.747352 ESP Fit Center 6999 is at -1.250827 4.847062 2.747352 ESP Fit Center 7000 is at -1.361570 4.433764 2.747352 ESP Fit Center 7001 is at -1.250827 4.020466 2.747352 ESP Fit Center 7002 is at -0.948272 3.717911 2.747352 ESP Fit Center 7003 is at -0.534974 3.607168 2.747352 ESP Fit Center 7004 is at -0.121676 3.717911 2.747352 ESP Fit Center 7005 is at 0.180880 4.020466 2.747352 ESP Fit Center 7006 is at 0.665058 4.433764 2.547747 ESP Fit Center 7007 is at 0.592687 4.844199 2.547747 ESP Fit Center 7008 is at 0.384304 5.205130 2.547747 ESP Fit Center 7009 is at 0.065042 5.473022 2.547747 ESP Fit Center 7010 is at -0.326590 5.615565 2.547747 ESP Fit Center 7011 is at -0.743357 5.615565 2.547747 ESP Fit Center 7012 is at -1.134990 5.473022 2.547747 ESP Fit Center 7013 is at -1.454251 5.205130 2.547747 ESP Fit Center 7014 is at -1.662635 4.844199 2.547747 ESP Fit Center 7015 is at -1.735005 4.433764 2.547747 ESP Fit Center 7016 is at -1.662635 4.023329 2.547747 ESP Fit Center 7017 is at -1.454251 3.662399 2.547747 ESP Fit Center 7018 is at -1.134990 3.394506 2.547747 ESP Fit Center 7019 is at -0.743357 3.251964 2.547747 ESP Fit Center 7020 is at -0.326590 3.251964 2.547747 ESP Fit Center 7021 is at 0.065042 3.394506 2.547747 ESP Fit Center 7022 is at 0.384304 3.662399 2.547747 ESP Fit Center 7023 is at 0.592687 4.023329 2.547747 ESP Fit Center 7024 is at 0.167707 5.789876 2.279123 ESP Fit Center 7025 is at -0.224225 5.929169 2.279123 ESP Fit Center 7026 is at -0.639204 5.957554 2.279123 ESP Fit Center 7027 is at -1.046452 5.872927 2.279123 ESP Fit Center 7028 is at -1.415767 5.681564 2.279123 ESP Fit Center 7029 is at -1.719757 5.397657 2.279123 ESP Fit Center 7030 is at -1.935877 5.042263 2.279123 ESP Fit Center 7031 is at -2.048099 4.641739 2.279123 ESP Fit Center 7032 is at -2.048099 4.225790 2.279123 ESP Fit Center 7033 is at -1.935877 3.825266 2.279123 ESP Fit Center 7034 is at -1.719757 3.469872 2.279123 ESP Fit Center 7035 is at -1.415767 3.185965 2.279123 ESP Fit Center 7036 is at -1.046452 2.994602 2.279123 ESP Fit Center 7037 is at -0.639204 2.909974 2.279123 ESP Fit Center 7038 is at -0.639400 6.226700 1.951804 ESP Fit Center 7039 is at -1.050065 6.154289 1.951804 ESP Fit Center 7040 is at -1.432961 5.989124 1.951804 ESP Fit Center 7041 is at -1.767446 5.740109 1.951804 ESP Fit Center 7042 is at -2.035488 5.420668 1.951804 ESP Fit Center 7043 is at -2.222638 5.048024 1.951804 ESP Fit Center 7044 is at -2.318804 4.642264 1.951804 ESP Fit Center 7045 is at -2.318804 4.225264 1.951804 ESP Fit Center 7046 is at -1.050065 2.713240 1.951804 ESP Fit Center 7047 is at -1.151642 6.331674 1.578369 ESP Fit Center 7048 is at -1.532764 6.161987 1.578369 ESP Fit Center 7049 is at -1.870277 5.916769 1.578369 ESP Fit Center 7050 is at -2.149432 5.606737 1.578369 ESP Fit Center 7051 is at -2.358027 5.245440 1.578369 ESP Fit Center 7052 is at -2.486945 4.848669 1.578369 ESP Fit Center 7053 is at -2.530553 4.433764 1.578369 ESP Fit Center 7054 is at -1.345687 6.391000 1.173168 ESP Fit Center 7055 is at -1.711947 6.195230 1.173168 ESP Fit Center 7056 is at -2.032977 5.931767 1.173168 ESP Fit Center 7057 is at -2.296439 5.610738 1.173168 ESP Fit Center 7058 is at -2.492209 5.244478 1.173168 ESP Fit Center 7059 is at -2.612764 4.847062 1.173168 ESP Fit Center 7060 is at -1.949473 6.066183 0.751773 ESP Fit Center 7061 is at -2.232848 5.768988 0.751773 ESP Fit Center 7062 is at -2.454858 5.423534 0.751773 ESP Fit Center 7063 is at -2.607479 5.042307 0.751773 ESP Fit Center 7064 is at -2.685193 4.639085 0.751773 ESP Fit Center 7065 is at -2.492209 5.244478 0.330377 ESP Fit Center 7066 is at -2.612764 4.847062 0.330377 ESP Fit Center 7067 is at -2.576373 4.753939 -0.600107 ESP Fit Center 7068 is at -2.196457 5.675864 -1.021502 ESP Fit Center 7069 is at -2.418467 5.330410 -1.021502 ESP Fit Center 7070 is at -2.571088 4.949183 -1.021502 ESP Fit Center 7071 is at -2.648802 4.545962 -1.021502 ESP Fit Center 7072 is at -1.675556 6.102106 -1.442897 ESP Fit Center 7073 is at -1.996586 5.838644 -1.442897 ESP Fit Center 7074 is at -2.260048 5.517614 -1.442897 ESP Fit Center 7075 is at -2.455818 5.151354 -1.442897 ESP Fit Center 7076 is at -2.576373 4.753939 -1.442897 ESP Fit Center 7077 is at -2.617079 4.340641 -1.442897 ESP Fit Center 7078 is at -1.115251 6.238550 -1.848099 ESP Fit Center 7079 is at -1.496373 6.068864 -1.848099 ESP Fit Center 7080 is at -1.833886 5.823646 -1.848099 ESP Fit Center 7081 is at -2.113041 5.513613 -1.848099 ESP Fit Center 7082 is at -2.321636 5.152316 -1.848099 ESP Fit Center 7083 is at -2.450554 4.755545 -1.848099 ESP Fit Center 7084 is at -2.494163 4.340641 -1.848099 ESP Fit Center 7085 is at -2.450554 3.925736 -1.848099 ESP Fit Center 7086 is at -1.833886 2.857636 -1.848099 ESP Fit Center 7087 is at -1.496373 2.612418 -1.848099 ESP Fit Center 7088 is at -0.603009 6.133577 -2.221534 ESP Fit Center 7089 is at -1.013674 6.061165 -2.221534 ESP Fit Center 7090 is at -1.396570 5.896000 -2.221534 ESP Fit Center 7091 is at -1.731055 5.646985 -2.221534 ESP Fit Center 7092 is at -1.999097 5.327545 -2.221534 ESP Fit Center 7093 is at -2.186247 4.954900 -2.221534 ESP Fit Center 7094 is at -2.282413 4.549141 -2.221534 ESP Fit Center 7095 is at -2.282413 4.132141 -2.221534 ESP Fit Center 7096 is at -2.186247 3.726381 -2.221534 ESP Fit Center 7097 is at -1.999097 3.353737 -2.221534 ESP Fit Center 7098 is at -1.731055 3.034296 -2.221534 ESP Fit Center 7099 is at -1.396570 2.785281 -2.221534 ESP Fit Center 7100 is at -1.013674 2.620116 -2.221534 ESP Fit Center 7101 is at -0.187834 5.836046 -2.548853 ESP Fit Center 7102 is at -0.602813 5.864431 -2.548853 ESP Fit Center 7103 is at -1.010061 5.779804 -2.548853 ESP Fit Center 7104 is at -1.379376 5.588440 -2.548853 ESP Fit Center 7105 is at -1.683366 5.304533 -2.548853 ESP Fit Center 7106 is at -1.899486 4.949139 -2.548853 ESP Fit Center 7107 is at -2.011708 4.548615 -2.548853 ESP Fit Center 7108 is at -2.011708 4.132667 -2.548853 ESP Fit Center 7109 is at -1.899486 3.732143 -2.548853 ESP Fit Center 7110 is at -1.683366 3.376748 -2.548853 ESP Fit Center 7111 is at -1.379376 3.092841 -2.548853 ESP Fit Center 7112 is at -1.010061 2.901478 -2.548853 ESP Fit Center 7113 is at -0.602813 2.816851 -2.548853 ESP Fit Center 7114 is at -0.187834 2.845236 -2.548853 ESP Fit Center 7115 is at 0.701449 4.340641 -2.817477 ESP Fit Center 7116 is at 0.629078 4.751076 -2.817477 ESP Fit Center 7117 is at 0.420695 5.112006 -2.817477 ESP Fit Center 7118 is at 0.101433 5.379899 -2.817477 ESP Fit Center 7119 is at -0.290199 5.522441 -2.817477 ESP Fit Center 7120 is at -0.706966 5.522441 -2.817477 ESP Fit Center 7121 is at -1.098599 5.379899 -2.817477 ESP Fit Center 7122 is at -1.417860 5.112006 -2.817477 ESP Fit Center 7123 is at -1.626244 4.751076 -2.817477 ESP Fit Center 7124 is at -1.698614 4.340641 -2.817477 ESP Fit Center 7125 is at -1.626244 3.930206 -2.817477 ESP Fit Center 7126 is at -1.417860 3.569275 -2.817477 ESP Fit Center 7127 is at -1.098599 3.301383 -2.817477 ESP Fit Center 7128 is at -0.706966 3.158840 -2.817477 ESP Fit Center 7129 is at -0.290199 3.158840 -2.817477 ESP Fit Center 7130 is at 0.101433 3.301383 -2.817477 ESP Fit Center 7131 is at 0.420695 3.569275 -2.817477 ESP Fit Center 7132 is at 0.629078 3.930206 -2.817477 ESP Fit Center 7133 is at 0.328013 4.340641 -3.017082 ESP Fit Center 7134 is at 0.217271 4.753939 -3.017082 ESP Fit Center 7135 is at -0.085285 5.056494 -3.017082 ESP Fit Center 7136 is at -0.498583 5.167237 -3.017082 ESP Fit Center 7137 is at -0.911881 5.056494 -3.017082 ESP Fit Center 7138 is at -1.214436 4.753939 -3.017082 ESP Fit Center 7139 is at -1.325179 4.340641 -3.017082 ESP Fit Center 7140 is at -1.214436 3.927343 -3.017082 ESP Fit Center 7141 is at -0.911881 3.624787 -3.017082 ESP Fit Center 7142 is at -0.498583 3.514045 -3.017082 ESP Fit Center 7143 is at -0.085285 3.624787 -3.017082 ESP Fit Center 7144 is at 0.217271 3.927343 -3.017082 ESP Fit Center 7145 is at -0.077188 4.340641 -3.139999 ESP Fit Center 7146 is at -0.287885 4.705580 -3.139999 ESP Fit Center 7147 is at -0.709280 4.705580 -3.139999 ESP Fit Center 7148 is at -0.919978 4.340641 -3.139999 ESP Fit Center 7149 is at -0.709280 3.975702 -3.139999 ESP Fit Center 7150 is at -0.287885 3.975702 -3.139999 ESP Fit Center 7151 is at -0.498583 4.340641 -3.181502 ESP Fit Center 7152 is at 3.237454 6.055988 1.705597 ESP Fit Center 7153 is at 2.845822 6.198530 1.705597 ESP Fit Center 7154 is at 2.429055 6.198530 1.705597 ESP Fit Center 7155 is at 2.037422 6.055988 1.705597 ESP Fit Center 7156 is at 3.942436 5.810317 1.436973 ESP Fit Center 7157 is at 3.679936 6.132973 1.436973 ESP Fit Center 7158 is at 3.340119 6.372842 1.436973 ESP Fit Center 7159 is at 2.948187 6.512135 1.436973 ESP Fit Center 7160 is at 2.533208 6.540520 1.436973 ESP Fit Center 7161 is at 2.125960 6.455893 1.436973 ESP Fit Center 7162 is at 4.242379 5.822762 1.109655 ESP Fit Center 7163 is at 4.013234 6.171160 1.109655 ESP Fit Center 7164 is at 3.709920 6.457323 1.109655 ESP Fit Center 7165 is at 3.348787 6.665822 1.109655 ESP Fit Center 7166 is at 2.949306 6.785419 1.109655 ESP Fit Center 7167 is at 2.533012 6.809666 1.109655 ESP Fit Center 7168 is at 2.122347 6.737254 1.109655 ESP Fit Center 7169 is at 4.460491 5.828405 0.736219 ESP Fit Center 7170 is at 4.251896 6.189702 0.736219 ESP Fit Center 7171 is at 3.972742 6.499735 0.736219 ESP Fit Center 7172 is at 3.635228 6.744953 0.736219 ESP Fit Center 7173 is at 3.254106 6.914639 0.736219 ESP Fit Center 7174 is at 2.846033 7.001378 0.736219 ESP Fit Center 7175 is at 2.428843 7.001378 0.736219 ESP Fit Center 7176 is at 2.020770 6.914639 0.736219 ESP Fit Center 7177 is at 4.594673 5.827443 0.331018 ESP Fit Center 7178 is at 4.398903 6.193703 0.331018 ESP Fit Center 7179 is at 4.135441 6.514733 0.331018 ESP Fit Center 7180 is at 3.814412 6.778195 0.331018 ESP Fit Center 7181 is at 3.448152 6.973965 0.331018 ESP Fit Center 7182 is at 3.050736 7.094520 0.331018 ESP Fit Center 7183 is at 2.637438 7.135226 0.331018 ESP Fit Center 7184 is at 2.224140 7.094520 0.331018 ESP Fit Center 7185 is at 4.642713 5.819521 -0.090377 ESP Fit Center 7186 is at 4.454546 6.184514 -0.090377 ESP Fit Center 7187 is at 4.200704 6.507301 -0.090377 ESP Fit Center 7188 is at 3.890361 6.776214 -0.090377 ESP Fit Center 7189 is at 3.534735 6.981535 -0.090377 ESP Fit Center 7190 is at 3.146677 7.115843 -0.090377 ESP Fit Center 7191 is at 2.740215 7.174283 -0.090377 ESP Fit Center 7192 is at 2.330038 7.154744 -0.090377 ESP Fit Center 7193 is at 4.715228 5.430028 -0.511772 ESP Fit Center 7194 is at 4.594673 5.827443 -0.511772 ESP Fit Center 7195 is at 4.398903 6.193703 -0.511772 ESP Fit Center 7196 is at 4.135441 6.514733 -0.511772 ESP Fit Center 7197 is at 3.814412 6.778195 -0.511772 ESP Fit Center 7198 is at 3.448152 6.973965 -0.511772 ESP Fit Center 7199 is at 3.050736 7.094520 -0.511772 ESP Fit Center 7200 is at 2.637438 7.135226 -0.511772 ESP Fit Center 7201 is at 2.224140 7.094520 -0.511772 ESP Fit Center 7202 is at 4.589410 5.431634 -0.916973 ESP Fit Center 7203 is at 4.460491 5.828405 -0.916973 ESP Fit Center 7204 is at 4.251896 6.189702 -0.916973 ESP Fit Center 7205 is at 3.972742 6.499735 -0.916973 ESP Fit Center 7206 is at 3.635228 6.744953 -0.916973 ESP Fit Center 7207 is at 3.254106 6.914639 -0.916973 ESP Fit Center 7208 is at 2.846033 7.001378 -0.916973 ESP Fit Center 7209 is at 2.428843 7.001378 -0.916973 ESP Fit Center 7210 is at 4.385002 5.430910 -1.290409 ESP Fit Center 7211 is at 4.242379 5.822762 -1.290409 ESP Fit Center 7212 is at 4.013234 6.171160 -1.290409 ESP Fit Center 7213 is at 3.709920 6.457323 -1.290409 ESP Fit Center 7214 is at 3.348787 6.665822 -1.290409 ESP Fit Center 7215 is at 2.949306 6.785419 -1.290409 ESP Fit Center 7216 is at 2.533012 6.809666 -1.290409 ESP Fit Center 7217 is at 2.122347 6.737254 -1.290409 ESP Fit Center 7218 is at 4.108151 5.428804 -1.617728 ESP Fit Center 7219 is at 3.942436 5.810317 -1.617728 ESP Fit Center 7220 is at 3.679936 6.132973 -1.617728 ESP Fit Center 7221 is at 3.340119 6.372842 -1.617728 ESP Fit Center 7222 is at 2.948187 6.512135 -1.617728 ESP Fit Center 7223 is at 2.533208 6.540520 -1.617728 ESP Fit Center 7224 is at 2.125960 6.455893 -1.617728 ESP Fit Center 7225 is at 3.765099 5.427165 -1.886352 ESP Fit Center 7226 is at 3.556716 5.788095 -1.886352 ESP Fit Center 7227 is at 3.237454 6.055988 -1.886352 ESP Fit Center 7228 is at 2.845822 6.198530 -1.886352 ESP Fit Center 7229 is at 2.429055 6.198530 -1.886352 ESP Fit Center 7230 is at 2.037422 6.055988 -1.886352 ESP Fit Center 7231 is at 3.353292 5.430028 -2.085957 ESP Fit Center 7232 is at 3.050736 5.732583 -2.085957 ESP Fit Center 7233 is at 2.637438 5.843326 -2.085957 ESP Fit Center 7234 is at 2.224140 5.732583 -2.085957 ESP Fit Center 7235 is at 1.921585 5.430028 -2.085957 ESP Fit Center 7236 is at 2.848136 5.381669 -2.208873 ESP Fit Center 7237 is at 2.426741 5.381669 -2.208873 ESP Fit Center 7238 is at 4.976933 2.545447 0.219149 ESP Fit Center 7239 is at 5.105852 2.942219 0.219149 ESP Fit Center 7240 is at 5.272376 3.357123 -0.186052 ESP Fit Center 7241 is at 5.231670 3.770421 -0.186052 ESP Fit Center 7242 is at 5.111115 2.546410 -0.186052 ESP Fit Center 7243 is at 5.231670 2.943825 -0.186052 ESP Fit Center 7244 is at 5.313880 3.357123 -0.607447 ESP Fit Center 7245 is at 5.274846 3.765906 -0.607447 ESP Fit Center 7246 is at 5.159155 4.159914 -0.607447 ESP Fit Center 7247 is at 5.159155 2.554332 -0.607447 ESP Fit Center 7248 is at 5.274846 2.948340 -0.607447 ESP Fit Center 7249 is at 5.272376 3.357123 -1.028843 ESP Fit Center 7250 is at 5.231670 3.770421 -1.028843 ESP Fit Center 7251 is at 5.111115 4.167836 -1.028843 ESP Fit Center 7252 is at 4.915345 4.534096 -1.028843 ESP Fit Center 7253 is at 5.111115 2.546410 -1.028843 ESP Fit Center 7254 is at 5.231670 2.943825 -1.028843 ESP Fit Center 7255 is at 5.149460 3.357123 -1.434044 ESP Fit Center 7256 is at 5.105852 3.772027 -1.434044 ESP Fit Center 7257 is at 4.976933 4.168798 -1.434044 ESP Fit Center 7258 is at 4.768338 4.530095 -1.434044 ESP Fit Center 7259 is at 4.976933 2.545447 -1.434044 ESP Fit Center 7260 is at 5.105852 2.942219 -1.434044 ESP Fit Center 7261 is at 4.949854 3.357123 -1.807479 ESP Fit Center 7262 is at 4.901444 3.771303 -1.807479 ESP Fit Center 7263 is at 4.758821 4.163155 -1.807479 ESP Fit Center 7264 is at 4.529676 4.511553 -1.807479 ESP Fit Center 7265 is at 4.529676 2.202693 -1.807479 ESP Fit Center 7266 is at 4.758821 2.551091 -1.807479 ESP Fit Center 7267 is at 4.901444 2.942943 -1.807479 ESP Fit Center 7268 is at 4.681231 3.357123 -2.134798 ESP Fit Center 7269 is at 4.624592 3.769197 -2.134798 ESP Fit Center 7270 is at 4.458878 4.150710 -2.134798 ESP Fit Center 7271 is at 4.196378 4.473366 -2.134798 ESP Fit Center 7272 is at 3.856561 4.713235 -2.134798 ESP Fit Center 7273 is at 3.464629 1.861718 -2.134798 ESP Fit Center 7274 is at 3.856561 2.001011 -2.134798 ESP Fit Center 7275 is at 4.196378 2.240880 -2.134798 ESP Fit Center 7276 is at 4.458878 2.563536 -2.134798 ESP Fit Center 7277 is at 4.624592 2.945049 -2.134798 ESP Fit Center 7278 is at 4.353912 3.357123 -2.403422 ESP Fit Center 7279 is at 4.281541 3.767558 -2.403422 ESP Fit Center 7280 is at 4.073158 4.128488 -2.403422 ESP Fit Center 7281 is at 3.753896 4.396381 -2.403422 ESP Fit Center 7282 is at 2.234602 2.585757 -2.403422 ESP Fit Center 7283 is at 2.945497 2.175322 -2.403422 ESP Fit Center 7284 is at 3.362263 2.175322 -2.403422 ESP Fit Center 7285 is at 3.753896 2.317865 -2.403422 ESP Fit Center 7286 is at 4.073158 2.585757 -2.403422 ESP Fit Center 7287 is at 4.281541 2.946688 -2.403422 ESP Fit Center 7288 is at 3.980476 3.357123 -2.603027 ESP Fit Center 7289 is at 3.869733 3.770421 -2.603027 ESP Fit Center 7290 is at 3.567178 4.072976 -2.603027 ESP Fit Center 7291 is at 3.153880 4.183719 -2.603027 ESP Fit Center 7292 is at 2.740582 4.072976 -2.603027 ESP Fit Center 7293 is at 2.438027 3.770421 -2.603027 ESP Fit Center 7294 is at 2.327284 3.357123 -2.603027 ESP Fit Center 7295 is at 2.438027 2.943825 -2.603027 ESP Fit Center 7296 is at 2.740582 2.641270 -2.603027 ESP Fit Center 7297 is at 3.153880 2.530527 -2.603027 ESP Fit Center 7298 is at 3.567178 2.641270 -2.603027 ESP Fit Center 7299 is at 3.869733 2.943825 -2.603027 ESP Fit Center 7300 is at 3.575275 3.357123 -2.725944 ESP Fit Center 7301 is at 3.364578 3.722062 -2.725944 ESP Fit Center 7302 is at 2.943182 3.722062 -2.725944 ESP Fit Center 7303 is at 2.732485 3.357123 -2.725944 ESP Fit Center 7304 is at 2.943182 2.992184 -2.725944 ESP Fit Center 7305 is at 3.364578 2.992184 -2.725944 ESP Fit Center 7306 is at 3.153880 3.357123 -2.767447 ESP Fit Center 7307 is at 2.862342 3.696870 3.272266 ESP Fit Center 7308 is at 3.283738 3.696870 3.230762 ESP Fit Center 7309 is at 3.073040 4.061809 3.230762 ESP Fit Center 7310 is at 2.651645 4.061809 3.230762 ESP Fit Center 7311 is at 2.440947 3.696870 3.230762 ESP Fit Center 7312 is at 2.651645 3.331932 3.230762 ESP Fit Center 7313 is at 3.073040 3.331932 3.230762 ESP Fit Center 7314 is at 3.688939 3.696870 3.107846 ESP Fit Center 7315 is at 3.578196 4.110168 3.107846 ESP Fit Center 7316 is at 3.275641 4.412724 3.107846 ESP Fit Center 7317 is at 2.862342 4.523467 3.107846 ESP Fit Center 7318 is at 2.449044 4.412724 3.107846 ESP Fit Center 7319 is at 2.146489 4.110168 3.107846 ESP Fit Center 7320 is at 2.035746 3.696870 3.107846 ESP Fit Center 7321 is at 2.146489 3.283572 3.107846 ESP Fit Center 7322 is at 2.449044 2.981017 3.107846 ESP Fit Center 7323 is at 2.862342 2.870274 3.107846 ESP Fit Center 7324 is at 3.275641 2.981017 3.107846 ESP Fit Center 7325 is at 3.578196 3.283572 3.107846 ESP Fit Center 7326 is at 4.062374 3.696870 2.908240 ESP Fit Center 7327 is at 3.990003 4.107305 2.908240 ESP Fit Center 7328 is at 3.781620 4.468236 2.908240 ESP Fit Center 7329 is at 3.462358 4.736128 2.908240 ESP Fit Center 7330 is at 3.070726 4.878671 2.908240 ESP Fit Center 7331 is at 2.653959 4.878671 2.908240 ESP Fit Center 7332 is at 2.262327 4.736128 2.908240 ESP Fit Center 7333 is at 1.943065 4.468236 2.908240 ESP Fit Center 7334 is at 1.734682 4.107305 2.908240 ESP Fit Center 7335 is at 1.662311 3.696870 2.908240 ESP Fit Center 7336 is at 1.734682 3.286435 2.908240 ESP Fit Center 7337 is at 1.943065 2.925505 2.908240 ESP Fit Center 7338 is at 2.262327 2.657612 2.908240 ESP Fit Center 7339 is at 2.653959 2.515070 2.908240 ESP Fit Center 7340 is at 3.070726 2.515070 2.908240 ESP Fit Center 7341 is at 3.462358 2.657612 2.908240 ESP Fit Center 7342 is at 3.781620 2.925505 2.908240 ESP Fit Center 7343 is at 3.990003 3.286435 2.908240 ESP Fit Center 7344 is at 4.389693 3.696870 2.639616 ESP Fit Center 7345 is at 4.333055 4.108945 2.639616 ESP Fit Center 7346 is at 4.167340 4.490457 2.639616 ESP Fit Center 7347 is at 3.904840 4.813113 2.639616 ESP Fit Center 7348 is at 3.565023 5.052982 2.639616 ESP Fit Center 7349 is at 3.173091 5.192275 2.639616 ESP Fit Center 7350 is at 2.758112 5.220660 2.639616 ESP Fit Center 7351 is at 2.350864 5.136033 2.639616 ESP Fit Center 7352 is at 1.981549 4.944670 2.639616 ESP Fit Center 7353 is at 1.677559 4.660763 2.639616 ESP Fit Center 7354 is at 1.461439 4.305369 2.639616 ESP Fit Center 7355 is at 1.349218 3.904845 2.639616 ESP Fit Center 7356 is at 1.461439 3.088372 2.639616 ESP Fit Center 7357 is at 1.677559 2.732978 2.639616 ESP Fit Center 7358 is at 1.981549 2.449071 2.639616 ESP Fit Center 7359 is at 2.350864 2.257708 2.639616 ESP Fit Center 7360 is at 2.758112 2.173080 2.639616 ESP Fit Center 7361 is at 3.173091 2.201466 2.639616 ESP Fit Center 7362 is at 3.565023 2.340758 2.639616 ESP Fit Center 7363 is at 3.904840 2.580628 2.639616 ESP Fit Center 7364 is at 4.167340 2.903284 2.639616 ESP Fit Center 7365 is at 4.333055 3.284796 2.639616 ESP Fit Center 7366 is at 4.658317 3.696870 2.312297 ESP Fit Center 7367 is at 4.609906 4.111051 2.312297 ESP Fit Center 7368 is at 4.467284 4.502902 2.312297 ESP Fit Center 7369 is at 4.238139 4.851300 2.312297 ESP Fit Center 7370 is at 3.934824 5.137463 2.312297 ESP Fit Center 7371 is at 3.573692 5.345963 2.312297 ESP Fit Center 7372 is at 3.174210 5.465560 2.312297 ESP Fit Center 7373 is at 2.757916 5.489806 2.312297 ESP Fit Center 7374 is at 3.174210 1.928181 2.312297 ESP Fit Center 7375 is at 3.573692 2.047778 2.312297 ESP Fit Center 7376 is at 3.934824 2.256278 2.312297 ESP Fit Center 7377 is at 4.238139 2.542440 2.312297 ESP Fit Center 7378 is at 4.467284 2.890839 2.312297 ESP Fit Center 7379 is at 4.609906 3.282690 2.312297 ESP Fit Center 7380 is at 4.857922 3.696870 1.938862 ESP Fit Center 7381 is at 4.814314 4.111775 1.938862 ESP Fit Center 7382 is at 4.685395 4.508546 1.938862 ESP Fit Center 7383 is at 4.476800 4.869843 1.938862 ESP Fit Center 7384 is at 4.197646 5.179875 1.938862 ESP Fit Center 7385 is at 3.860132 5.425093 1.938862 ESP Fit Center 7386 is at 3.860132 1.968648 1.938862 ESP Fit Center 7387 is at 4.197646 2.213866 1.938862 ESP Fit Center 7388 is at 4.476800 2.523898 1.938862 ESP Fit Center 7389 is at 4.685395 2.885195 1.938862 ESP Fit Center 7390 is at 4.814314 3.281966 1.938862 ESP Fit Center 7391 is at 4.980839 3.696870 1.533661 ESP Fit Center 7392 is at 4.940132 4.110168 1.533661 ESP Fit Center 7393 is at 4.819578 4.507584 1.533661 ESP Fit Center 7394 is at 4.623808 4.873844 1.533661 ESP Fit Center 7395 is at 4.039316 1.935405 1.533661 ESP Fit Center 7396 is at 4.360345 2.198867 1.533661 ESP Fit Center 7397 is at 4.623808 2.519897 1.533661 ESP Fit Center 7398 is at 4.819578 2.886157 1.533661 ESP Fit Center 7399 is at 4.940132 3.283572 1.533661 ESP Fit Center 7400 is at 5.022342 3.696870 1.112266 ESP Fit Center 7401 is at 4.425608 2.206300 1.112266 ESP Fit Center 7402 is at 4.679450 2.529086 1.112266 ESP Fit Center 7403 is at 4.867617 2.894079 1.112266 ESP Fit Center 7404 is at 4.983308 3.288088 1.112266 ESP Fit Center 7405 is at 2.348841 -2.739685 -2.618767 ESP Fit Center 7406 is at 2.332163 -2.234494 -2.807142 ESP Fit Center 7407 is at 2.650141 -2.501308 -2.807142 ESP Fit Center 7408 is at 5.598788 0.699082 1.465056 ESP Fit Center 7409 is at 6.127028 0.368200 1.185582 ESP Fit Center 7410 is at 5.936029 0.738686 1.185582 ESP Fit Center 7411 is at 6.231253 0.748623 0.867963 ESP Fit Center 7412 is at 5.998469 1.093038 0.867963 ESP Fit Center 7413 is at 6.464908 0.762601 0.518117 ESP Fit Center 7414 is at 6.246516 1.118985 0.518117 ESP Fit Center 7415 is at 6.449104 1.113055 0.142561 ESP Fit Center 7416 is at 6.196883 1.439692 0.142561 ESP Fit Center 7417 is at 6.582505 1.109834 -0.251710 ESP Fit Center 7418 is at 6.341640 1.441356 -0.251710 ESP Fit Center 7419 is at 6.629787 1.139379 -0.657351 ESP Fit Center 7420 is at 6.384350 1.477194 -0.657351 ESP Fit Center 7421 is at 6.094286 1.777564 -0.657351 ESP Fit Center 7422 is at 6.629787 1.139379 -1.066805 ESP Fit Center 7423 is at 6.384350 1.477194 -1.066805 ESP Fit Center 7424 is at 6.094286 1.777564 -1.066805 ESP Fit Center 7425 is at 5.765242 2.034642 -1.066805 ESP Fit Center 7426 is at 6.582505 1.109834 -1.472446 ESP Fit Center 7427 is at 6.341640 1.441356 -1.472446 ESP Fit Center 7428 is at 6.056979 1.736131 -1.472446 ESP Fit Center 7429 is at 5.734064 1.988420 -1.472446 ESP Fit Center 7430 is at 6.449104 1.113055 -1.866717 ESP Fit Center 7431 is at 6.196883 1.439692 -1.866717 ESP Fit Center 7432 is at 5.899790 1.726126 -1.866717 ESP Fit Center 7433 is at 5.564159 1.966249 -1.866717 ESP Fit Center 7434 is at 5.197142 2.154946 -1.866717 ESP Fit Center 7435 is at 6.464908 0.762601 -2.242273 ESP Fit Center 7436 is at 6.246516 1.118985 -2.242273 ESP Fit Center 7437 is at 5.975063 1.436816 -2.242273 ESP Fit Center 7438 is at 5.657231 1.708270 -2.242273 ESP Fit Center 7439 is at 5.300848 1.926662 -2.242273 ESP Fit Center 7440 is at 4.914689 2.086614 -2.242273 ESP Fit Center 7441 is at 4.508261 2.184189 -2.242273 ESP Fit Center 7442 is at 5.300848 -2.820007 -2.242273 ESP Fit Center 7443 is at 6.402481 0.369823 -2.592119 ESP Fit Center 7444 is at 6.231253 0.748623 -2.592119 ESP Fit Center 7445 is at 5.998469 1.093038 -2.592119 ESP Fit Center 7446 is at 5.710828 1.393157 -2.592119 ESP Fit Center 7447 is at 5.376604 1.640348 -2.592119 ESP Fit Center 7448 is at 5.005411 1.827499 -2.592119 ESP Fit Center 7449 is at 4.607930 1.949227 -2.592119 ESP Fit Center 7450 is at 4.195593 2.002028 -2.592119 ESP Fit Center 7451 is at 3.780265 1.984385 -2.592119 ESP Fit Center 7452 is at 3.373892 1.896805 -2.592119 ESP Fit Center 7453 is at 4.607930 -2.842573 -2.592119 ESP Fit Center 7454 is at 5.005411 -2.720845 -2.592119 ESP Fit Center 7455 is at 5.376604 -2.533694 -2.592119 ESP Fit Center 7456 is at 5.710828 -2.286503 -2.592119 ESP Fit Center 7457 is at 6.244460 -0.031738 -2.909737 ESP Fit Center 7458 is at 6.127028 0.368200 -2.909737 ESP Fit Center 7459 is at 5.936029 0.738686 -2.909737 ESP Fit Center 7460 is at 5.678366 1.066331 -2.909737 ESP Fit Center 7461 is at 5.363353 1.339291 -2.909737 ESP Fit Center 7462 is at 5.002374 1.547702 -2.909737 ESP Fit Center 7463 is at 4.608477 1.684032 -2.909737 ESP Fit Center 7464 is at 4.195898 1.743352 -2.909737 ESP Fit Center 7465 is at 3.779547 -2.616864 -2.909737 ESP Fit Center 7466 is at 4.195898 -2.636697 -2.909737 ESP Fit Center 7467 is at 4.608477 -2.577377 -2.909737 ESP Fit Center 7468 is at 5.002374 -2.441048 -2.909737 ESP Fit Center 7469 is at 5.363353 -2.232637 -2.909737 ESP Fit Center 7470 is at 5.678366 -1.959677 -2.909737 ESP Fit Center 7471 is at 5.984838 -0.446673 -3.189212 ESP Fit Center 7472 is at 5.940574 -0.039677 -3.189212 ESP Fit Center 7473 is at 5.809854 0.348288 -3.189212 ESP Fit Center 7474 is at 5.598788 0.699082 -3.189212 ESP Fit Center 7475 is at 5.317247 0.996301 -3.189212 ESP Fit Center 7476 is at 4.978395 1.226048 -3.189212 ESP Fit Center 7477 is at 4.978395 -2.119394 -3.189212 ESP Fit Center 7478 is at 5.317247 -1.889647 -3.189212 ESP Fit Center 7479 is at 5.598788 -1.592427 -3.189212 ESP Fit Center 7480 is at 5.809854 -1.241634 -3.189212 ESP Fit Center 7481 is at 5.940574 -0.853669 -3.189212 ESP Fit Center 7482 is at 5.650326 -0.446673 -3.425336 ESP Fit Center 7483 is at 5.592523 -0.026127 -3.425336 ESP Fit Center 7484 is at 5.423402 -1.256575 -3.425336 ESP Fit Center 7485 is at 5.592523 -0.867219 -3.425336 ESP Fit Center 7486 is at 3.711173 -1.466800 4.105187 ESP Fit Center 7487 is at 4.128491 -1.466800 4.073914 ESP Fit Center 7488 is at 3.919832 -1.105392 4.073914 ESP Fit Center 7489 is at 3.502513 -1.105392 4.073914 ESP Fit Center 7490 is at 3.293854 -1.466800 4.073914 ESP Fit Center 7491 is at 3.502513 -1.828209 4.073914 ESP Fit Center 7492 is at 3.919832 -1.828209 4.073914 ESP Fit Center 7493 is at 4.536487 -1.466800 3.980791 ESP Fit Center 7494 is at 4.425916 -1.054143 3.980791 ESP Fit Center 7495 is at 4.123830 -0.752057 3.980791 ESP Fit Center 7496 is at 3.711173 -0.641486 3.980791 ESP Fit Center 7497 is at 3.298515 -0.752057 3.980791 ESP Fit Center 7498 is at 2.996429 -1.054143 3.980791 ESP Fit Center 7499 is at 2.885858 -1.466800 3.980791 ESP Fit Center 7500 is at 2.996429 -1.879458 3.980791 ESP Fit Center 7501 is at 3.298515 -2.181544 3.980791 ESP Fit Center 7502 is at 3.711173 -2.292115 3.980791 ESP Fit Center 7503 is at 4.123830 -2.181544 3.980791 ESP Fit Center 7504 is at 4.425916 -1.879458 3.980791 ESP Fit Center 7505 is at 4.926047 -1.466800 3.827900 ESP Fit Center 7506 is at 4.852781 -1.051289 3.827900 ESP Fit Center 7507 is at 4.641820 -0.685894 3.827900 ESP Fit Center 7508 is at 4.318610 -0.414688 3.827900 ESP Fit Center 7509 is at 3.922133 -0.270382 3.827900 ESP Fit Center 7510 is at 3.500212 -0.270382 3.827900 ESP Fit Center 7511 is at 3.103735 -0.414688 3.827900 ESP Fit Center 7512 is at 2.780525 -0.685894 3.827900 ESP Fit Center 7513 is at 2.569564 -1.051289 3.827900 ESP Fit Center 7514 is at 2.496298 -1.466800 3.827900 ESP Fit Center 7515 is at 2.569564 -1.882312 3.827900 ESP Fit Center 7516 is at 2.780525 -2.247707 3.827900 ESP Fit Center 7517 is at 3.103735 -2.518912 3.827900 ESP Fit Center 7518 is at 3.500212 -2.663218 3.827900 ESP Fit Center 7519 is at 3.922133 -2.663218 3.827900 ESP Fit Center 7520 is at 4.318610 -2.518912 3.827900 ESP Fit Center 7521 is at 4.641820 -2.247707 3.827900 ESP Fit Center 7522 is at 4.852781 -1.882312 3.827900 ESP Fit Center 7523 is at 5.234724 -1.058566 3.618656 ESP Fit Center 7524 is at 5.077151 -0.678152 3.618656 ESP Fit Center 7525 is at 4.826489 -0.351483 3.618656 ESP Fit Center 7526 is at 4.499821 -0.100822 3.618656 ESP Fit Center 7527 is at 4.119407 0.056751 3.618656 ESP Fit Center 7528 is at 3.711173 0.110496 3.618656 ESP Fit Center 7529 is at 3.302938 0.056751 3.618656 ESP Fit Center 7530 is at 2.922525 -0.100822 3.618656 ESP Fit Center 7531 is at 2.595856 -0.351483 3.618656 ESP Fit Center 7532 is at 2.345194 -0.678152 3.618656 ESP Fit Center 7533 is at 2.187622 -1.058566 3.618656 ESP Fit Center 7534 is at 2.133876 -1.466800 3.618656 ESP Fit Center 7535 is at 2.187622 -1.875035 3.618656 ESP Fit Center 7536 is at 2.345194 -2.255448 3.618656 ESP Fit Center 7537 is at 2.595856 -2.582117 3.618656 ESP Fit Center 7538 is at 2.922525 -2.832779 3.618656 ESP Fit Center 7539 is at 3.302938 -2.990351 3.618656 ESP Fit Center 7540 is at 3.711173 -3.044096 3.618656 ESP Fit Center 7541 is at 4.119407 -2.990351 3.618656 ESP Fit Center 7542 is at 4.499821 -2.832779 3.618656 ESP Fit Center 7543 is at 4.826489 -2.582117 3.618656 ESP Fit Center 7544 is at 5.227319 -0.314256 3.357733 ESP Fit Center 7545 is at 4.944109 -0.015275 3.357733 ESP Fit Center 7546 is at 4.603249 0.215834 3.357733 ESP Fit Center 7547 is at 4.220676 0.368265 3.357733 ESP Fit Center 7548 is at 3.814279 0.434890 3.357733 ESP Fit Center 7549 is at 3.403061 0.412595 3.357733 ESP Fit Center 7550 is at 3.006251 0.302421 3.357733 ESP Fit Center 7551 is at 2.642401 0.109520 3.357733 ESP Fit Center 7552 is at 2.328526 -0.157088 3.357733 ESP Fit Center 7553 is at 2.079302 -0.484936 3.357733 ESP Fit Center 7554 is at 1.906383 -0.858696 3.357733 ESP Fit Center 7555 is at 1.817853 -1.260889 3.357733 ESP Fit Center 7556 is at 1.817853 -1.672711 3.357733 ESP Fit Center 7557 is at 1.906383 -2.074905 3.357733 ESP Fit Center 7558 is at 2.079302 -2.448664 3.357733 ESP Fit Center 7559 is at 2.328526 -2.776513 3.357733 ESP Fit Center 7560 is at 2.642401 -3.043120 3.357733 ESP Fit Center 7561 is at 3.006251 -3.236021 3.357733 ESP Fit Center 7562 is at 3.403061 -3.346195 3.357733 ESP Fit Center 7563 is at 3.814279 -3.368491 3.357733 ESP Fit Center 7564 is at 4.220676 -3.301865 3.357733 ESP Fit Center 7565 is at 4.603249 -3.149435 3.357733 ESP Fit Center 7566 is at 5.295519 0.043871 3.050959 ESP Fit Center 7567 is at 4.980992 0.316411 3.050959 ESP Fit Center 7568 is at 4.620569 0.524501 3.050959 ESP Fit Center 7569 is at 4.227279 0.660620 3.050959 ESP Fit Center 7570 is at 3.815336 0.719848 3.050959 ESP Fit Center 7571 is at 3.399627 0.700046 3.050959 ESP Fit Center 7572 is at 2.995179 0.601928 3.050959 ESP Fit Center 7573 is at 2.616609 0.429040 3.050959 ESP Fit Center 7574 is at 2.277599 0.187632 3.050959 ESP Fit Center 7575 is at 1.990402 -0.113571 3.050959 ESP Fit Center 7576 is at 1.765398 -0.463684 3.050959 ESP Fit Center 7577 is at 1.610720 -0.850052 3.050959 ESP Fit Center 7578 is at 1.531957 -1.258710 3.050959 ESP Fit Center 7579 is at 1.531957 -1.674890 3.050959 ESP Fit Center 7580 is at 1.610720 -2.083549 3.050959 ESP Fit Center 7581 is at 1.765398 -2.469917 3.050959 ESP Fit Center 7582 is at 1.990402 -2.820030 3.050959 ESP Fit Center 7583 is at 2.277599 -3.121233 3.050959 ESP Fit Center 7584 is at 2.616609 -3.362641 3.050959 ESP Fit Center 7585 is at 2.995179 -3.535528 3.050959 ESP Fit Center 7586 is at 3.399627 -3.633646 3.050959 ESP Fit Center 7587 is at 3.815336 -3.653449 3.050959 ESP Fit Center 7588 is at 4.227279 -3.594220 3.050959 ESP Fit Center 7589 is at 4.620569 -3.458101 3.050959 ESP Fit Center 7590 is at 5.597809 0.056552 2.705187 ESP Fit Center 7591 is at 5.313224 0.353483 2.705187 ESP Fit Center 7592 is at 4.982550 0.598048 2.705187 ESP Fit Center 7593 is at 4.615302 0.783211 2.705187 ESP Fit Center 7594 is at 4.222043 0.903645 2.705187 ESP Fit Center 7595 is at 3.814087 0.955886 2.705187 ESP Fit Center 7596 is at 3.403171 0.938430 2.705187 ESP Fit Center 7597 is at 3.001115 0.851781 2.705187 ESP Fit Center 7598 is at 1.702143 -2.824667 2.705187 ESP Fit Center 7599 is at 1.960522 -3.144663 2.705187 ESP Fit Center 7600 is at 2.269264 -3.416390 2.705187 ESP Fit Center 7601 is at 2.619487 -3.632030 2.705187 ESP Fit Center 7602 is at 3.001115 -3.785381 2.705187 ESP Fit Center 7603 is at 3.403171 -3.872031 2.705187 ESP Fit Center 7604 is at 3.814087 -3.889487 2.705187 ESP Fit Center 7605 is at 4.222043 -3.837246 2.705187 ESP Fit Center 7606 is at 4.615302 -3.716812 2.705187 ESP Fit Center 7607 is at 5.554209 0.376236 2.328142 ESP Fit Center 7608 is at 5.243203 0.641859 2.328142 ESP Fit Center 7609 is at 4.894475 0.855561 2.328142 ESP Fit Center 7610 is at 4.516609 1.012078 2.328142 ESP Fit Center 7611 is at 4.118911 1.107557 2.328142 ESP Fit Center 7612 is at 3.711173 1.139646 2.328142 ESP Fit Center 7613 is at 2.527871 -3.789161 2.328142 ESP Fit Center 7614 is at 2.905736 -3.945678 2.328142 ESP Fit Center 7615 is at 3.303435 -4.041157 2.328142 ESP Fit Center 7616 is at 3.711173 -4.073247 2.328142 ESP Fit Center 7617 is at 4.118911 -4.041157 2.328142 ESP Fit Center 7618 is at 4.516609 -3.945678 2.328142 ESP Fit Center 7619 is at 5.678051 0.426130 1.928246 ESP Fit Center 7620 is at 5.366046 0.704189 1.928246 ESP Fit Center 7621 is at 5.015251 0.931361 1.928246 ESP Fit Center 7622 is at 4.633890 1.102322 1.928246 ESP Fit Center 7623 is at 4.230902 1.213065 1.928246 ESP Fit Center 7624 is at 2.987827 -4.099018 1.928246 ESP Fit Center 7625 is at 3.398110 -4.178587 1.928246 ESP Fit Center 7626 is at 3.815731 -4.194595 1.928246 ESP Fit Center 7627 is at 4.230902 -4.146666 1.928246 ESP Fit Center 7628 is at 5.757979 0.432358 1.514432 ESP Fit Center 7629 is at 3.502513 -4.251163 1.514432 ESP Fit Center 7630 is at 3.919832 -4.251163 1.514432 ESP Fit Center 7631 is at 4.332489 -4.188965 1.514432 ESP Fit Center 7632 is at 3.919832 -4.251163 1.095943 ESP Fit Center 7633 is at 4.332489 -4.188965 1.095943 ESP Fit Center 7634 is at -2.806588 -1.259762 2.960070 ESP Fit Center 7635 is at -2.398089 -1.259762 2.932128 ESP Fit Center 7636 is at -3.215088 -1.259762 2.932128 ESP Fit Center 7637 is at -3.010838 -1.613533 2.932128 ESP Fit Center 7638 is at -2.602339 -1.613533 2.932128 ESP Fit Center 7639 is at -1.997198 -1.259762 2.848822 ESP Fit Center 7640 is at -3.615979 -1.259762 2.848822 ESP Fit Center 7641 is at -3.507541 -1.664457 2.848822 ESP Fit Center 7642 is at -3.211284 -1.960715 2.848822 ESP Fit Center 7643 is at -2.806588 -2.069152 2.848822 ESP Fit Center 7644 is at -2.401893 -1.960715 2.848822 ESP Fit Center 7645 is at -4.001792 -1.259762 2.711704 ESP Fit Center 7646 is at -3.929712 -1.668546 2.711704 ESP Fit Center 7647 is at -3.722167 -2.028024 2.711704 ESP Fit Center 7648 is at -3.404190 -2.294838 2.711704 ESP Fit Center 7649 is at -3.014133 -2.436807 2.711704 ESP Fit Center 7650 is at -4.015730 -2.243471 2.523328 ESP Fit Center 7651 is at -3.705490 -2.533215 2.523328 ESP Fit Center 7652 is at -3.328583 -2.728513 2.523328 ESP Fit Center 7653 is at -4.181089 -2.561758 2.287204 ESP Fit Center 7654 is at -3.869064 -2.826796 2.287204 ESP Fit Center 7655 is at -3.507358 -3.018560 2.287204 ESP Fit Center 7656 is at -4.530016 -2.615080 2.007729 ESP Fit Center 7657 is at -4.242376 -2.916749 2.007729 ESP Fit Center 7658 is at -3.902842 -3.158530 2.007729 ESP Fit Center 7659 is at -4.576038 -2.955642 1.690111 ESP Fit Center 7660 is at -4.263981 -3.230286 1.690111 ESP Fit Center 7661 is at -4.690077 -3.143251 1.340265 ESP Fit Center 7662 is at -4.372246 -3.414705 1.340265 ESP Fit Center 7663 is at -4.768585 -3.294773 0.964709 ESP Fit Center 7664 is at -4.451377 -3.558755 0.964709 ESP Fit Center 7665 is at -4.919471 -3.300149 0.570438 ESP Fit Center 7666 is at -4.614942 -3.574348 0.570438 ESP Fit Center 7667 is at -4.959577 -3.338879 0.164797 ESP Fit Center 7668 is at -4.649267 -3.618283 0.164797 ESP Fit Center 7669 is at -5.227981 -3.019007 -0.244658 ESP Fit Center 7670 is at -4.959577 -3.338879 -0.244658 ESP Fit Center 7671 is at -4.649267 -3.618283 -0.244658 ESP Fit Center 7672 is at -5.182875 -2.986236 -0.650298 ESP Fit Center 7673 is at -4.919471 -3.300149 -0.650298 ESP Fit Center 7674 is at -4.614942 -3.574348 -0.650298 ESP Fit Center 7675 is at -5.043977 -2.987417 -1.044569 ESP Fit Center 7676 is at -4.768585 -3.294773 -1.044569 ESP Fit Center 7677 is at -4.451377 -3.558755 -1.044569 ESP Fit Center 7678 is at -4.690077 -3.143251 -1.420125 ESP Fit Center 7679 is at -4.372246 -3.414705 -1.420125 ESP Fit Center 7680 is at -4.576038 -2.955642 -1.769971 ESP Fit Center 7681 is at -4.263981 -3.230286 -1.769971 ESP Fit Center 7682 is at -4.530016 -2.615080 -2.087590 ESP Fit Center 7683 is at -4.242376 -2.916749 -2.087590 ESP Fit Center 7684 is at -3.902842 -3.158530 -2.087590 ESP Fit Center 7685 is at -4.181089 -2.561758 -2.367064 ESP Fit Center 7686 is at -3.869064 -2.826796 -2.367064 ESP Fit Center 7687 is at -4.015730 -2.243471 -2.603189 ESP Fit Center 7688 is at -3.705490 -2.533215 -2.603189 ESP Fit Center 7689 is at -3.328583 -2.728513 -2.603189 ESP Fit Center 7690 is at -1.891010 -0.491500 -2.791564 ESP Fit Center 7691 is at -3.929712 -1.668546 -2.791564 ESP Fit Center 7692 is at -3.722167 -2.028024 -2.791564 ESP Fit Center 7693 is at -3.404190 -2.294838 -2.791564 ESP Fit Center 7694 is at -3.014133 -2.436807 -2.791564 ESP Fit Center 7695 is at -2.105636 -0.855067 -2.928682 ESP Fit Center 7696 is at -2.401893 -0.558809 -2.928682 ESP Fit Center 7697 is at -2.806588 -0.450372 -2.928682 ESP Fit Center 7698 is at -3.211284 -0.558809 -2.928682 ESP Fit Center 7699 is at -3.507541 -0.855067 -2.928682 ESP Fit Center 7700 is at -3.615979 -1.259762 -2.928682 ESP Fit Center 7701 is at -3.507541 -1.664457 -2.928682 ESP Fit Center 7702 is at -3.211284 -1.960715 -2.928682 ESP Fit Center 7703 is at -2.806588 -2.069152 -2.928682 ESP Fit Center 7704 is at -2.398089 -1.259762 -3.011988 ESP Fit Center 7705 is at -2.602339 -0.905991 -3.011988 ESP Fit Center 7706 is at -3.010838 -0.905991 -3.011988 ESP Fit Center 7707 is at -3.215088 -1.259762 -3.011988 ESP Fit Center 7708 is at -3.010838 -1.613533 -3.011988 ESP Fit Center 7709 is at -2.602339 -1.613533 -3.011988 ESP Fit Center 7710 is at -2.806588 -1.259762 -3.039930 ESP Fit Center 7711 is at -1.579750 -2.008101 2.943417 ESP Fit Center 7712 is at -1.171250 -2.008101 2.915475 ESP Fit Center 7713 is at -1.375500 -1.654330 2.915475 ESP Fit Center 7714 is at -1.784000 -1.654330 2.915475 ESP Fit Center 7715 is at -1.988250 -2.008101 2.915475 ESP Fit Center 7716 is at -1.784000 -2.361872 2.915475 ESP Fit Center 7717 is at -1.375500 -2.361872 2.915475 ESP Fit Center 7718 is at -1.175055 -1.307148 2.832169 ESP Fit Center 7719 is at -1.579750 -1.198711 2.832169 ESP Fit Center 7720 is at -2.280703 -2.412796 2.832169 ESP Fit Center 7721 is at -1.984445 -2.709054 2.832169 ESP Fit Center 7722 is at -1.175055 -2.709054 2.832169 ESP Fit Center 7723 is at -0.878798 -2.412796 2.832169 ESP Fit Center 7724 is at -2.702874 -2.416885 -2.808217 ESP Fit Center 7725 is at -0.770360 -2.008101 -2.945335 ESP Fit Center 7726 is at -1.175055 -1.307148 -2.945335 ESP Fit Center 7727 is at -1.579750 -1.198711 -2.945335 ESP Fit Center 7728 is at -1.984445 -1.307148 -2.945335 ESP Fit Center 7729 is at -2.389140 -2.008101 -2.945335 ESP Fit Center 7730 is at -2.280703 -2.412796 -2.945335 ESP Fit Center 7731 is at -0.878798 -2.412796 -2.945335 ESP Fit Center 7732 is at -1.171250 -2.008101 -3.028641 ESP Fit Center 7733 is at -1.375500 -1.654330 -3.028641 ESP Fit Center 7734 is at -1.784000 -1.654330 -3.028641 ESP Fit Center 7735 is at -1.988250 -2.008101 -3.028641 ESP Fit Center 7736 is at -1.784000 -2.361872 -3.028641 ESP Fit Center 7737 is at -1.375500 -2.361872 -3.028641 ESP Fit Center 7738 is at -1.579750 -2.008101 -3.056583 ESP Fit Center 7739 is at -0.317583 -1.358453 2.949112 ESP Fit Center 7740 is at 0.090916 -1.358453 2.921170 ESP Fit Center 7741 is at -0.113333 -1.004682 2.921170 ESP Fit Center 7742 is at -0.521833 -1.004682 2.921170 ESP Fit Center 7743 is at -0.726083 -1.358453 2.921170 ESP Fit Center 7744 is at -0.521833 -1.712225 2.921170 ESP Fit Center 7745 is at -0.113333 -1.712225 2.921170 ESP Fit Center 7746 is at 0.491807 -1.358453 2.837864 ESP Fit Center 7747 is at 0.383369 -0.953758 2.837864 ESP Fit Center 7748 is at -0.722279 -0.657501 2.837864 ESP Fit Center 7749 is at -1.018536 -0.953758 2.837864 ESP Fit Center 7750 is at -1.126974 -1.358453 2.837864 ESP Fit Center 7751 is at -0.722279 -2.059406 2.837864 ESP Fit Center 7752 is at -0.317583 -2.167844 2.837864 ESP Fit Center 7753 is at -1.233162 -0.590192 2.700746 ESP Fit Center 7754 is at -1.233162 -0.590192 -2.802522 ESP Fit Center 7755 is at 0.383369 -0.953758 -2.939640 ESP Fit Center 7756 is at -0.722279 -0.657501 -2.939640 ESP Fit Center 7757 is at -1.018536 -0.953758 -2.939640 ESP Fit Center 7758 is at -0.722279 -2.059406 -2.939640 ESP Fit Center 7759 is at -0.317583 -2.167844 -2.939640 ESP Fit Center 7760 is at 0.090916 -1.358453 -3.022945 ESP Fit Center 7761 is at -0.113333 -1.004682 -3.022945 ESP Fit Center 7762 is at -0.521833 -1.004682 -3.022945 ESP Fit Center 7763 is at -0.726083 -1.358453 -3.022945 ESP Fit Center 7764 is at -0.521833 -1.712225 -3.022945 ESP Fit Center 7765 is at -0.113333 -1.712225 -3.022945 ESP Fit Center 7766 is at -0.317583 -1.358453 -3.050888 ESP Fit Center 7767 is at -0.055592 -0.024132 2.969526 ESP Fit Center 7768 is at 0.352907 -0.024132 2.941584 ESP Fit Center 7769 is at 0.148657 0.329639 2.941584 ESP Fit Center 7770 is at -0.259842 0.329639 2.941584 ESP Fit Center 7771 is at -0.464092 -0.024132 2.941584 ESP Fit Center 7772 is at -0.259842 -0.377904 2.941584 ESP Fit Center 7773 is at 0.148657 -0.377904 2.941584 ESP Fit Center 7774 is at 0.349103 0.676820 2.858278 ESP Fit Center 7775 is at -0.055592 0.785258 2.858278 ESP Fit Center 7776 is at -0.460288 0.676820 2.858278 ESP Fit Center 7777 is at -0.756545 0.380563 2.858278 ESP Fit Center 7778 is at -0.864983 -0.024132 2.858278 ESP Fit Center 7779 is at -0.756545 -0.428827 2.858278 ESP Fit Center 7780 is at 0.349103 -0.725085 2.858278 ESP Fit Center 7781 is at 0.151952 1.152913 2.721160 ESP Fit Center 7782 is at -0.263137 1.152913 2.721160 ESP Fit Center 7783 is at -0.653194 1.010944 2.721160 ESP Fit Center 7784 is at -0.971171 0.744130 2.721160 ESP Fit Center 7785 is at -1.178716 0.384651 2.721160 ESP Fit Center 7786 is at -1.250796 -0.024132 2.721160 ESP Fit Center 7787 is at -1.178716 -0.432916 2.721160 ESP Fit Center 7788 is at -0.577587 1.444619 2.532784 ESP Fit Center 7789 is at -0.954494 1.249321 2.532784 ESP Fit Center 7790 is at -1.264734 0.959577 2.532784 ESP Fit Center 7791 is at -1.118068 1.542901 2.296660 ESP Fit Center 7792 is at -1.118068 1.542901 -2.357608 ESP Fit Center 7793 is at -1.430094 1.277864 -2.357608 ESP Fit Center 7794 is at -0.577587 1.444619 -2.593732 ESP Fit Center 7795 is at -0.954494 1.249321 -2.593732 ESP Fit Center 7796 is at -1.264734 0.959577 -2.593732 ESP Fit Center 7797 is at -1.485297 0.596876 -2.593732 ESP Fit Center 7798 is at 0.151952 1.152913 -2.782108 ESP Fit Center 7799 is at -0.263137 1.152913 -2.782108 ESP Fit Center 7800 is at -0.653194 1.010944 -2.782108 ESP Fit Center 7801 is at -0.971171 0.744130 -2.782108 ESP Fit Center 7802 is at -1.178716 0.384651 -2.782108 ESP Fit Center 7803 is at -1.250796 -0.024132 -2.782108 ESP Fit Center 7804 is at -1.178716 -0.432916 -2.782108 ESP Fit Center 7805 is at 0.349103 0.676820 -2.919226 ESP Fit Center 7806 is at -0.055592 0.785258 -2.919226 ESP Fit Center 7807 is at -0.460288 0.676820 -2.919226 ESP Fit Center 7808 is at -0.756545 0.380563 -2.919226 ESP Fit Center 7809 is at -0.864983 -0.024132 -2.919226 ESP Fit Center 7810 is at -0.756545 -0.428827 -2.919226 ESP Fit Center 7811 is at 0.349103 -0.725085 -2.919226 ESP Fit Center 7812 is at 0.352907 -0.024132 -3.002532 ESP Fit Center 7813 is at 0.148657 0.329639 -3.002532 ESP Fit Center 7814 is at -0.259842 0.329639 -3.002532 ESP Fit Center 7815 is at -0.464092 -0.024132 -3.002532 ESP Fit Center 7816 is at -0.259842 -0.377904 -3.002532 ESP Fit Center 7817 is at 0.148657 -0.377904 -3.002532 ESP Fit Center 7818 is at -0.055592 -0.024132 -3.030474 ESP Fit Center 7819 is at 1.208119 0.119107 2.963225 ESP Fit Center 7820 is at 1.616619 0.119107 2.935283 ESP Fit Center 7821 is at 1.412369 0.472878 2.935283 ESP Fit Center 7822 is at 1.003869 0.472878 2.935283 ESP Fit Center 7823 is at 0.799619 0.119107 2.935283 ESP Fit Center 7824 is at 1.003869 -0.234665 2.935283 ESP Fit Center 7825 is at 1.412369 -0.234665 2.935283 ESP Fit Center 7826 is at 0.803424 0.820059 2.851977 ESP Fit Center 7827 is at 0.803424 -0.581846 2.851977 ESP Fit Center 7828 is at 1.208119 -0.690284 2.851977 ESP Fit Center 7829 is at 0.803424 0.820059 -2.925527 ESP Fit Center 7830 is at 0.803424 -0.581846 -2.925527 ESP Fit Center 7831 is at 1.616619 0.119107 -3.008833 ESP Fit Center 7832 is at 1.412369 0.472878 -3.008833 ESP Fit Center 7833 is at 1.003869 0.472878 -3.008833 ESP Fit Center 7834 is at 0.799619 0.119107 -3.008833 ESP Fit Center 7835 is at 1.003869 -0.234665 -3.008833 ESP Fit Center 7836 is at 1.412369 -0.234665 -3.008833 ESP Fit Center 7837 is at 1.208119 0.119107 -3.036775 ESP Fit Center 7838 is at 1.420747 -1.130844 2.910033 ESP Fit Center 7839 is at 1.019856 -1.130844 2.826727 ESP Fit Center 7840 is at 2.036792 -2.307889 -2.813658 ESP Fit Center 7841 is at 1.128294 -0.726149 -2.950776 ESP Fit Center 7842 is at 1.019856 -1.130844 -2.950776 ESP Fit Center 7843 is at 1.829247 -1.940234 -2.950776 ESP Fit Center 7844 is at 1.624997 -0.777073 -3.034082 ESP Fit Center 7845 is at 1.420747 -1.130844 -3.034082 ESP Fit Center 7846 is at 1.624997 -1.484615 -3.034082 ESP Fit Center 7847 is at 0.791273 -2.023188 2.925282 ESP Fit Center 7848 is at 1.199773 -2.023188 2.897340 ESP Fit Center 7849 is at 0.995523 -1.669417 2.897340 ESP Fit Center 7850 is at 0.587023 -1.669417 2.897340 ESP Fit Center 7851 is at 0.382773 -2.023188 2.897340 ESP Fit Center 7852 is at 0.587023 -2.376960 2.897340 ESP Fit Center 7853 is at 0.995523 -2.376960 2.897340 ESP Fit Center 7854 is at 0.791273 -1.213798 2.814034 ESP Fit Center 7855 is at 0.090320 -2.427883 2.814034 ESP Fit Center 7856 is at 0.386577 -2.724141 2.814034 ESP Fit Center 7857 is at 1.195968 -2.724141 2.814034 ESP Fit Center 7858 is at 1.492225 -2.427883 2.814034 ESP Fit Center 7859 is at 1.914396 -2.431972 -2.826352 ESP Fit Center 7860 is at 1.600663 -2.023188 -2.963470 ESP Fit Center 7861 is at 0.791273 -1.213798 -2.963470 ESP Fit Center 7862 is at -0.018118 -2.023188 -2.963470 ESP Fit Center 7863 is at 0.090320 -2.427883 -2.963470 ESP Fit Center 7864 is at 1.492225 -2.427883 -2.963470 ESP Fit Center 7865 is at 1.199773 -2.023188 -3.046776 ESP Fit Center 7866 is at 0.995523 -1.669417 -3.046776 ESP Fit Center 7867 is at 0.587023 -1.669417 -3.046776 ESP Fit Center 7868 is at 0.382773 -2.023188 -3.046776 ESP Fit Center 7869 is at 0.587023 -2.376960 -3.046776 ESP Fit Center 7870 is at 0.995523 -2.376960 -3.046776 ESP Fit Center 7871 is at 0.791273 -2.023188 -3.074718 ESP Fit Center 7872 is at 0.807593 -3.383543 2.895636 ESP Fit Center 7873 is at 1.216093 -3.383543 2.867694 ESP Fit Center 7874 is at 1.011843 -3.029771 2.867694 ESP Fit Center 7875 is at 0.603343 -3.029771 2.867694 ESP Fit Center 7876 is at 0.399093 -3.383543 2.867694 ESP Fit Center 7877 is at 0.603343 -3.737314 2.867694 ESP Fit Center 7878 is at 1.011843 -3.737314 2.867694 ESP Fit Center 7879 is at 1.616983 -3.383543 2.784388 ESP Fit Center 7880 is at 1.508545 -2.978847 2.784388 ESP Fit Center 7881 is at 0.106640 -2.978847 2.784388 ESP Fit Center 7882 is at 0.807593 -4.192933 2.784388 ESP Fit Center 7883 is at 1.212288 -4.084495 2.784388 ESP Fit Center 7884 is at 1.508545 -3.788238 2.784388 ESP Fit Center 7885 is at 2.002796 -3.383543 2.647270 ESP Fit Center 7886 is at 1.015138 -4.560588 2.647270 ESP Fit Center 7887 is at 1.405194 -4.418619 2.647270 ESP Fit Center 7888 is at 1.723171 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Center 7907 is at 2.092622 -5.470564 1.625677 ESP Fit Center 7908 is at 2.426847 -5.223373 1.625677 ESP Fit Center 7909 is at 2.714488 -4.923253 1.625677 ESP Fit Center 7910 is at 2.947271 -4.578839 1.625677 ESP Fit Center 7911 is at 3.118500 -4.200038 1.625677 ESP Fit Center 7912 is at 1.630708 -5.916830 1.275831 ESP Fit Center 7913 is at 2.016867 -5.756877 1.275831 ESP Fit Center 7914 is at 2.373250 -5.538485 1.275831 ESP Fit Center 7915 is at 2.691082 -5.267032 1.275831 ESP Fit Center 7916 is at 2.962535 -4.949200 1.275831 ESP Fit Center 7917 is at 3.180927 -4.592817 1.275831 ESP Fit Center 7918 is at 1.913161 -5.985161 0.900275 ESP Fit Center 7919 is at 2.280178 -5.796465 0.900275 ESP Fit Center 7920 is at 2.615809 -5.556341 0.900275 ESP Fit Center 7921 is at 2.912902 -5.269908 0.900275 ESP Fit Center 7922 is at 3.165123 -4.943270 0.900275 ESP Fit Center 7923 is at 3.367098 -4.583389 0.900275 ESP Fit Center 7924 is at 2.095199 -6.023527 0.506004 ESP Fit Center 7925 is at 2.450083 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ESP Fit Center 7944 is at 1.913161 -5.985161 -1.109003 ESP Fit Center 7945 is at 2.280178 -5.796465 -1.109003 ESP Fit Center 7946 is at 2.615809 -5.556341 -1.109003 ESP Fit Center 7947 is at 2.912902 -5.269908 -1.109003 ESP Fit Center 7948 is at 3.165123 -4.943270 -1.109003 ESP Fit Center 7949 is at 1.630708 -5.916830 -1.484559 ESP Fit Center 7950 is at 2.016867 -5.756877 -1.484559 ESP Fit Center 7951 is at 2.373250 -5.538485 -1.484559 ESP Fit Center 7952 is at 2.691082 -5.267032 -1.484559 ESP Fit Center 7953 is at 2.962535 -4.949200 -1.484559 ESP Fit Center 7954 is at 1.721430 -5.657715 -1.834405 ESP Fit Center 7955 is at 2.092622 -5.470564 -1.834405 ESP Fit Center 7956 is at 2.426847 -5.223373 -1.834405 ESP Fit Center 7957 is at 2.714488 -4.923253 -1.834405 ESP Fit Center 7958 is at 2.947271 -4.578839 -1.834405 ESP Fit Center 7959 is at 1.324496 -5.514247 -2.152023 ESP Fit Center 7960 is at 1.718393 -5.377918 -2.152023 ESP Fit Center 7961 is at 2.079372 -5.169507 -2.152023 ESP Fit Center 7962 is at 2.394385 -4.896546 -2.152023 ESP Fit Center 7963 is at 2.652048 -4.568902 -2.152023 ESP Fit Center 7964 is at 2.843047 -4.198415 -2.152023 ESP Fit Center 7965 is at 1.314094 -5.207797 -2.431498 ESP Fit Center 7966 is at 1.694413 -5.056264 -2.431498 ESP Fit Center 7967 is at 2.033266 -4.826516 -2.431498 ESP Fit Center 7968 is at 2.314807 -4.529297 -2.431498 ESP Fit Center 7969 is at 2.525872 -4.178503 -2.431498 ESP Fit Center 7970 is at 2.656593 -3.790538 -2.431498 ESP Fit Center 7971 is at 2.366344 -3.383543 -2.667622 ESP Fit Center 7972 is at 2.308542 -2.962996 -2.667622 ESP Fit Center 7973 is at 1.124730 -4.909692 -2.667622 ESP Fit Center 7974 is at 1.524720 -4.767535 -2.667622 ESP Fit Center 7975 is at 1.871524 -4.522735 -2.667622 ESP Fit Center 7976 is at 2.139420 -4.193445 -2.667622 ESP Fit Center 7977 is at 2.308542 -3.804089 -2.667622 ESP Fit Center 7978 is at 2.002796 -3.383543 -2.855998 ESP Fit Center 7979 is at 1.930716 -2.974759 -2.855998 ESP Fit Center 7980 is at 1.015138 -4.560588 -2.855998 ESP Fit Center 7981 is at 1.405194 -4.418619 -2.855998 ESP Fit Center 7982 is at 1.723171 -4.151804 -2.855998 ESP Fit Center 7983 is at 1.930716 -3.792326 -2.855998 ESP Fit Center 7984 is at 1.616983 -3.383543 -2.993116 ESP Fit Center 7985 is at 1.508545 -2.978847 -2.993116 ESP Fit Center 7986 is at 1.212288 -2.682590 -2.993116 ESP Fit Center 7987 is at 0.402897 -2.682590 -2.993116 ESP Fit Center 7988 is at 0.106640 -2.978847 -2.993116 ESP Fit Center 7989 is at 0.807593 -4.192933 -2.993116 ESP Fit Center 7990 is at 1.212288 -4.084495 -2.993116 ESP Fit Center 7991 is at 1.508545 -3.788238 -2.993116 ESP Fit Center 7992 is at 1.216093 -3.383543 -3.076422 ESP Fit Center 7993 is at 1.011843 -3.029771 -3.076422 ESP Fit Center 7994 is at 0.603343 -3.029771 -3.076422 ESP Fit Center 7995 is at 0.399093 -3.383543 -3.076422 ESP Fit Center 7996 is at 0.603343 -3.737314 -3.076422 ESP Fit Center 7997 is at 1.011843 -3.737314 -3.076422 ESP Fit Center 7998 is at 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1.933380 ESP Fit Center 8035 is at -1.035636 -6.081086 1.933380 ESP Fit Center 8036 is at 0.592263 -6.003540 1.933380 ESP Fit Center 8037 is at 0.953242 -5.795129 1.933380 ESP Fit Center 8038 is at -2.087987 -5.705044 1.615762 ESP Fit Center 8039 is at -1.775930 -5.979689 1.615762 ESP Fit Center 8040 is at 1.300717 -5.848995 1.615762 ESP Fit Center 8041 is at -2.202026 -5.892654 1.265916 ESP Fit Center 8042 is at -2.280534 -6.044175 0.890359 ESP Fit Center 8043 is at -2.202026 -5.892654 -1.494475 ESP Fit Center 8044 is at -2.087987 -5.705044 -1.844320 ESP Fit Center 8045 is at -1.775930 -5.979689 -1.844320 ESP Fit Center 8046 is at 1.300717 -5.848995 -1.844320 ESP Fit Center 8047 is at -1.754325 -5.666152 -2.161939 ESP Fit Center 8048 is at -1.414791 -5.907932 -2.161939 ESP Fit Center 8049 is at 0.592263 -6.003540 -2.161939 ESP Fit Center 8050 is at 0.953242 -5.795129 -2.161939 ESP Fit Center 8051 is at 1.268255 -5.522168 -2.161939 ESP Fit Center 8052 is at -1.693038 -5.311161 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-4.053070 2.656353 ESP Fit Center 8107 is at -2.177100 -4.319884 2.656353 ESP Fit Center 8108 is at -1.787043 -4.461853 2.656353 ESP Fit Center 8109 is at -3.123732 -3.072558 2.467977 ESP Fit Center 8110 is at -3.123732 -3.497058 2.467977 ESP Fit Center 8111 is at -3.009203 -3.905816 2.467977 ESP Fit Center 8112 is at -2.788640 -4.268517 2.467977 ESP Fit Center 8113 is at -2.478400 -4.558261 2.467977 ESP Fit Center 8114 is at -2.101492 -4.753559 2.467977 ESP Fit Center 8115 is at -1.685871 -4.839926 2.467977 ESP Fit Center 8116 is at -3.461664 -3.489506 2.231853 ESP Fit Center 8117 is at -3.373656 -3.889330 2.231853 ESP Fit Center 8118 is at -3.201755 -4.260887 2.231853 ESP Fit Center 8119 is at -2.953999 -4.586804 2.231853 ESP Fit Center 8120 is at -2.641973 -4.851842 2.231853 ESP Fit Center 8121 is at -2.280267 -5.043606 2.231853 ESP Fit Center 8122 is at -1.885794 -5.153131 2.231853 ESP Fit Center 8123 is at -3.762078 -3.493219 1.952379 ESP Fit Center 8124 is at -3.683194 -3.902509 1.952379 ESP Fit Center 8125 is at -3.528277 -4.289473 1.952379 ESP Fit Center 8126 is at -3.302926 -4.640126 1.952379 ESP Fit Center 8127 is at -3.015286 -4.941795 1.952379 ESP Fit Center 8128 is at -2.675752 -5.183575 1.952379 ESP Fit Center 8129 is at -2.296597 -5.356730 1.952379 ESP Fit Center 8130 is at -4.021579 -3.492660 1.634760 ESP Fit Center 8131 is at -3.951324 -3.902383 1.634760 ESP Fit Center 8132 is at -3.812837 -4.294341 1.634760 ESP Fit Center 8133 is at -3.610101 -4.657256 1.634760 ESP Fit Center 8134 is at -3.348947 -4.980688 1.634760 ESP Fit Center 8135 is at -3.036890 -5.255332 1.634760 ESP Fit Center 8136 is at -2.682907 -5.473289 1.634760 ESP Fit Center 8137 is at -2.297180 -5.628286 1.634760 ESP Fit Center 8138 is at -4.210360 -3.701495 1.284914 ESP Fit Center 8139 is at -4.112785 -4.107923 1.284914 ESP Fit Center 8140 is at -3.952833 -4.494082 1.284914 ESP Fit Center 8141 is at -3.734441 -4.850465 1.284914 ESP Fit Center 8142 is at -3.462987 -5.168297 1.284914 ESP Fit Center 8143 is at -3.145156 -5.439751 1.284914 ESP Fit Center 8144 is at -2.788773 -5.658142 1.284914 ESP Fit Center 8145 is at -2.402613 -5.818095 1.284914 ESP Fit Center 8146 is at -4.338653 -3.899436 0.909358 ESP Fit Center 8147 is at -4.219759 -4.294622 0.909358 ESP Fit Center 8148 is at -4.044592 -4.668286 0.909358 ESP Fit Center 8149 is at -3.816887 -5.012463 0.909358 ESP Fit Center 8150 is at -3.541495 -5.319819 0.909358 ESP Fit Center 8151 is at -3.224287 -5.583801 0.909358 ESP Fit Center 8152 is at -2.872023 -5.798785 0.909358 ESP Fit Center 8153 is at -2.492211 -5.960188 0.909358 ESP Fit Center 8154 is at -4.452565 -3.895497 0.515087 ESP Fit Center 8155 is at -4.339613 -4.289407 0.515087 ESP Fit Center 8156 is at -4.172938 -4.663764 0.515087 ESP Fit Center 8157 is at -3.955785 -5.011281 0.515087 ESP Fit Center 8158 is at -3.692381 -5.325195 0.515087 ESP Fit Center 8159 is at -3.387851 -5.599394 0.515087 ESP Fit Center 8160 is at -3.048124 -5.828543 0.515087 ESP Fit Center 8161 is at -2.679812 -6.008181 0.515087 ESP Fit Center 8162 is at -4.507100 -3.907089 0.109446 ESP Fit Center 8163 is at -4.392004 -4.308476 0.109446 ESP Fit Center 8164 is at -4.222166 -4.689939 0.109446 ESP Fit Center 8165 is at -4.000891 -5.044053 0.109446 ESP Fit Center 8166 is at -3.732487 -5.363925 0.109446 ESP Fit Center 8167 is at -3.422177 -5.643329 0.109446 ESP Fit Center 8168 is at -3.076001 -5.876827 0.109446 ESP Fit Center 8169 is at -2.700698 -6.059875 0.109446 ESP Fit Center 8170 is at -4.507100 -3.907089 -0.300008 ESP Fit Center 8171 is at -4.392004 -4.308476 -0.300008 ESP Fit Center 8172 is at -4.222166 -4.689939 -0.300008 ESP Fit Center 8173 is at -4.000891 -5.044053 -0.300008 ESP Fit Center 8174 is at -3.732487 -5.363925 -0.300008 ESP Fit Center 8175 is at -3.422177 -5.643329 -0.300008 ESP Fit Center 8176 is at -3.076001 -5.876827 -0.300008 ESP Fit Center 8177 is at -2.700698 -6.059875 -0.300008 ESP Fit Center 8178 is at -4.452565 -3.895497 -0.705649 ESP Fit Center 8179 is at -4.339613 -4.289407 -0.705649 ESP Fit Center 8180 is at -4.172938 -4.663764 -0.705649 ESP Fit Center 8181 is at -3.955785 -5.011281 -0.705649 ESP Fit Center 8182 is at -3.692381 -5.325195 -0.705649 ESP Fit Center 8183 is at -3.387851 -5.599394 -0.705649 ESP Fit Center 8184 is at -3.048124 -5.828543 -0.705649 ESP Fit Center 8185 is at -2.679812 -6.008181 -0.705649 ESP Fit Center 8186 is at -4.338653 -3.899436 -1.099920 ESP Fit Center 8187 is at -4.219759 -4.294622 -1.099920 ESP Fit Center 8188 is at -4.044592 -4.668286 -1.099920 ESP Fit Center 8189 is at -3.816887 -5.012463 -1.099920 ESP Fit Center 8190 is at -3.541495 -5.319819 -1.099920 ESP Fit Center 8191 is at -3.224287 -5.583801 -1.099920 ESP Fit Center 8192 is at -2.872023 -5.798785 -1.099920 ESP Fit Center 8193 is at -2.492211 -5.960188 -1.099920 ESP Fit Center 8194 is at -4.210360 -3.701495 -1.475476 ESP Fit Center 8195 is at -4.112785 -4.107923 -1.475476 ESP Fit Center 8196 is at -3.952833 -4.494082 -1.475476 ESP Fit Center 8197 is at -3.734441 -4.850465 -1.475476 ESP Fit Center 8198 is at -3.462987 -5.168297 -1.475476 ESP Fit Center 8199 is at -3.145156 -5.439751 -1.475476 ESP Fit Center 8200 is at -2.788773 -5.658142 -1.475476 ESP Fit Center 8201 is at -2.402613 -5.818095 -1.475476 ESP Fit Center 8202 is at -4.021579 -3.492660 -1.825322 ESP Fit Center 8203 is at -3.951324 -3.902383 -1.825322 ESP Fit Center 8204 is at -3.812837 -4.294341 -1.825322 ESP Fit Center 8205 is at -3.610101 -4.657256 -1.825322 ESP Fit Center 8206 is at -3.348947 -4.980688 -1.825322 ESP Fit Center 8207 is at -3.036890 -5.255332 -1.825322 ESP Fit Center 8208 is at -2.682907 -5.473289 -1.825322 ESP Fit Center 8209 is at -2.297180 -5.628286 -1.825322 ESP Fit Center 8210 is at -3.762078 -3.493219 -2.142940 ESP Fit Center 8211 is at -3.683194 -3.902509 -2.142940 ESP Fit Center 8212 is at -3.528277 -4.289473 -2.142940 ESP Fit Center 8213 is at -3.302926 -4.640126 -2.142940 ESP Fit Center 8214 is at -3.015286 -4.941795 -2.142940 ESP Fit Center 8215 is at -2.675752 -5.183575 -2.142940 ESP Fit Center 8216 is at -2.296597 -5.356730 -2.142940 ESP Fit Center 8217 is at -3.461664 -3.080110 -2.422415 ESP Fit Center 8218 is at -3.461664 -3.489506 -2.422415 ESP Fit Center 8219 is at -3.373656 -3.889330 -2.422415 ESP Fit Center 8220 is at -3.201755 -4.260887 -2.422415 ESP Fit Center 8221 is at -2.953999 -4.586804 -2.422415 ESP Fit Center 8222 is at -2.641973 -4.851842 -2.422415 ESP Fit Center 8223 is at -2.280267 -5.043606 -2.422415 ESP Fit Center 8224 is at -1.885794 -5.153131 -2.422415 ESP Fit Center 8225 is at -3.123732 -3.072558 -2.658539 ESP Fit Center 8226 is at -3.123732 -3.497058 -2.658539 ESP Fit Center 8227 is at -3.009203 -3.905816 -2.658539 ESP Fit Center 8228 is at -2.788640 -4.268517 -2.658539 ESP Fit Center 8229 is at -2.478400 -4.558261 -2.658539 ESP Fit Center 8230 is at -2.101492 -4.753559 -2.658539 ESP Fit Center 8231 is at -1.685871 -4.839926 -2.658539 ESP Fit Center 8232 is at -2.702622 -2.876024 -2.846915 ESP Fit Center 8233 is at -2.774702 -3.284808 -2.846915 ESP Fit Center 8234 is at -2.702622 -3.693591 -2.846915 ESP Fit Center 8235 is at -2.495077 -4.053070 -2.846915 ESP Fit Center 8236 is at -2.177100 -4.319884 -2.846915 ESP Fit Center 8237 is at -1.787043 -4.461853 -2.846915 ESP Fit Center 8238 is at -0.878546 -2.880113 -2.984033 ESP Fit Center 8239 is at -1.174803 -2.583855 -2.984033 ESP Fit Center 8240 is at -1.984193 -2.583855 -2.984033 ESP Fit Center 8241 is at -2.280451 -2.880113 -2.984033 ESP Fit Center 8242 is at -2.388889 -3.284808 -2.984033 ESP Fit Center 8243 is at -2.280451 -3.689503 -2.984033 ESP Fit Center 8244 is at -1.984193 -3.985760 -2.984033 ESP Fit Center 8245 is at -1.579498 -4.094198 -2.984033 ESP Fit Center 8246 is at -1.170998 -3.284808 -3.067339 ESP Fit Center 8247 is at -1.375248 -2.931037 -3.067339 ESP Fit Center 8248 is at -1.783748 -2.931037 -3.067339 ESP Fit Center 8249 is at -1.987998 -3.284808 -3.067339 ESP Fit Center 8250 is at -1.783748 -3.638579 -3.067339 ESP Fit Center 8251 is at -1.375248 -3.638579 -3.067339 ESP Fit Center 8252 is at -1.579498 -3.284808 -3.095281 ESP Fit Center 8253 is at 3.698563 -4.298620 1.077066 ESP Fit Center 8254 is at 3.694046 -4.542537 0.734376 ESP Fit Center 8255 is at 4.101170 -4.437126 0.734376 ESP Fit Center 8256 is at 4.478741 -4.251918 0.734376 ESP Fit Center 8257 is at 3.486619 -4.740752 0.355225 ESP Fit Center 8258 is at 3.911008 -4.679735 0.355225 ESP Fit Center 8259 is at 4.316179 -4.539503 0.355225 ESP Fit Center 8260 is at 4.687490 -4.325127 0.355225 ESP Fit Center 8261 is at 5.011520 -4.044354 0.355225 ESP Fit Center 8262 is at 3.696575 -4.830193 -0.048868 ESP Fit Center 8263 is at 4.109683 -4.735903 -0.048868 ESP Fit Center 8264 is at 4.499317 -4.569366 -0.048868 ESP Fit Center 8265 is at 4.852952 -4.335933 -0.048868 ESP Fit Center 8266 is at 5.159223 -4.043108 -0.048868 ESP Fit Center 8267 is at 5.408287 -3.700302 -0.048868 ESP Fit Center 8268 is at 3.379310 -4.888045 -0.465624 ESP Fit Center 8269 is at 3.796065 -4.851583 -0.465624 ESP Fit Center 8270 is at 4.200158 -4.743307 -0.465624 ESP Fit Center 8271 is at 4.579310 -4.566505 -0.465624 ESP Fit Center 8272 is at 4.922000 -4.326551 -0.465624 ESP Fit Center 8273 is at 5.217816 -4.030735 -0.465624 ESP Fit Center 8274 is at 5.457771 -3.688045 -0.465624 ESP Fit Center 8275 is at 5.634572 -3.308893 -0.465624 ESP Fit Center 8276 is at 3.696575 -4.830193 -0.882379 ESP Fit Center 8277 is at 4.109683 -4.735903 -0.882379 ESP Fit Center 8278 is at 4.499317 -4.569366 -0.882379 ESP Fit Center 8279 is at 4.852952 -4.335933 -0.882379 ESP Fit Center 8280 is at 5.159223 -4.043108 -0.882379 ESP Fit Center 8281 is at 5.408287 -3.700302 -0.882379 ESP Fit Center 8282 is at 5.592137 -3.318532 -0.882379 ESP Fit Center 8283 is at 3.486619 -4.740752 -1.286472 ESP Fit Center 8284 is at 3.911008 -4.679735 -1.286472 ESP Fit Center 8285 is at 4.316179 -4.539503 -1.286472 ESP Fit Center 8286 is at 4.687490 -4.325127 -1.286472 ESP Fit Center 8287 is at 5.011520 -4.044354 -1.286472 ESP Fit Center 8288 is at 5.276557 -3.707331 -1.286472 ESP Fit Center 8289 is at 5.473023 -3.326241 -1.286472 ESP Fit Center 8290 is at 3.274037 -4.563838 -1.665624 ESP Fit Center 8291 is at 3.694046 -4.542537 -1.665624 ESP Fit Center 8292 is at 4.101170 -4.437126 -1.665624 ESP Fit Center 8293 is at 4.478741 -4.251918 -1.665624 ESP Fit Center 8294 is at 4.811301 -3.994498 -1.665624 ESP Fit Center 8295 is at 5.085234 -3.675403 -1.665624 ESP Fit Center 8296 is at 5.289328 -3.307698 -1.665624 ESP Fit Center 8297 is at 3.272410 -4.323441 -2.008314 ESP Fit Center 8298 is at 3.698563 -4.298620 -2.008314 ESP Fit Center 8299 is at 4.107505 -4.176191 -2.008314 ESP Fit Center 8300 is at 4.477190 -3.962753 -2.008314 ESP Fit Center 8301 is at 4.787687 -3.669814 -2.008314 ESP Fit Center 8302 is at 5.022259 -3.313165 -2.008314 ESP Fit Center 8303 is at 2.862694 -3.941661 -2.304130 ESP Fit Center 8304 is at 3.274033 -4.027138 -2.304130 ESP Fit Center 8305 is at 3.693179 -3.998468 -2.304130 ESP Fit Center 8306 is at 4.089048 -3.857776 -2.304130 ESP Fit Center 8307 is at 4.432278 -3.615498 -2.304130 ESP Fit Center 8308 is at 4.697414 -3.289602 -2.304130 ESP Fit Center 8309 is at 2.779310 -3.527275 -2.544085 ESP Fit Center 8310 is at 3.170932 -3.669814 -2.544085 ESP Fit Center 8311 is at 3.587687 -3.669814 -2.544085 ESP Fit Center 8312 is at 3.979310 -3.527275 -2.544085 ESP Fit Center 8313 is at 4.298563 -3.259390 -2.544085 ESP Fit Center 8314 is at 4.506941 -2.898469 -2.544085 ESP Fit Center 8315 is at 2.668434 -2.898469 -2.720886 ESP Fit Center 8316 is at 2.968886 -3.198920 -2.720886 ESP Fit Center 8317 is at 3.379310 -3.308893 -2.720886 ESP Fit Center 8318 is at 3.789734 -3.198920 -2.720886 ESP Fit Center 8319 is at 4.090185 -2.898469 -2.720886 ESP Fit Center 8320 is at 3.170932 -2.848965 -2.829162 ESP Fit Center 8321 is at 3.587687 -2.848965 -2.829162 ESP Fit Center 8322 is at 6.636529 -0.327318 1.010762 ESP Fit Center 8323 is at 6.469151 0.058026 1.010762 ESP Fit Center 8324 is at 6.989553 -0.743531 0.714945 ESP Fit Center 8325 is at 6.939996 -0.319542 0.714945 ESP Fit Center 8326 is at 6.793996 0.081589 0.714945 ESP Fit Center 8327 is at 6.559424 0.438238 0.714945 ESP Fit Center 8328 is at 7.229507 -0.743531 0.372255 ESP Fit Center 8329 is at 7.186961 -0.325140 0.372255 ESP Fit Center 8330 is at 7.061064 0.076122 0.372255 ESP Fit Center 8331 is at 6.856971 0.443828 0.372255 ESP Fit Center 8332 is at 6.583037 0.762923 0.372255 ESP Fit Center 8333 is at 7.061064 -1.563184 0.372255 ESP Fit Center 8334 is at 7.186961 -1.161922 0.372255 ESP Fit Center 8335 is at 7.406308 -0.743531 -0.006897 ESP Fit Center 8336 is at 7.365553 -0.316720 -0.006897 ESP Fit Center 8337 is at 7.244759 0.094665 -0.006897 ESP Fit Center 8338 is at 7.048293 0.475756 -0.006897 ESP Fit Center 8339 is at 6.783256 0.812778 -0.006897 ESP Fit Center 8340 is at 6.783256 -2.299840 -0.006897 ESP Fit Center 8341 is at 7.048293 -1.962818 -0.006897 ESP Fit Center 8342 is at 7.244759 -1.581727 -0.006897 ESP Fit Center 8343 is at 7.365553 -1.170342 -0.006897 ESP Fit Center 8344 is at 7.514585 -0.743531 -0.410989 ESP Fit Center 8345 is at 7.476602 -0.321505 -0.410989 ESP Fit Center 8346 is at 7.363873 0.086957 -0.410989 ESP Fit Center 8347 is at 7.180023 0.468726 -0.410989 ESP Fit Center 8348 is at 6.930960 0.811533 -0.410989 ESP Fit Center 8349 is at 6.624688 1.104358 -0.410989 ESP Fit Center 8350 is at 5.881420 -2.991390 -0.410989 ESP Fit Center 8351 is at 6.271053 -2.824853 -0.410989 ESP Fit Center 8352 is at 6.624688 -2.591420 -0.410989 ESP Fit Center 8353 is at 6.930960 -2.298595 -0.410989 ESP Fit Center 8354 is at 7.180023 -1.955788 -0.410989 ESP Fit Center 8355 is at 7.363873 -1.574019 -0.410989 ESP Fit Center 8356 is at 7.476602 -1.165557 -0.410989 ESP Fit Center 8357 is at 7.551046 -0.743531 -0.827745 ESP Fit Center 8358 is at 7.514585 -0.326775 -0.827745 ESP Fit Center 8359 is at 7.406308 0.077317 -0.827745 ESP Fit Center 8360 is at 7.229507 0.456469 -0.827745 ESP Fit Center 8361 is at 6.989553 0.799159 -0.827745 ESP Fit Center 8362 is at 6.693736 1.094976 -0.827745 ESP Fit Center 8363 is at 5.971894 -2.998793 -0.827745 ESP Fit Center 8364 is at 6.351046 -2.821992 -0.827745 ESP Fit Center 8365 is at 6.693736 -2.582038 -0.827745 ESP Fit Center 8366 is at 6.989553 -2.286221 -0.827745 ESP Fit Center 8367 is at 7.229507 -1.943531 -0.827745 ESP Fit Center 8368 is at 7.406308 -1.564379 -0.827745 ESP Fit Center 8369 is at 7.514585 -1.160287 -0.827745 ESP Fit Center 8370 is at 7.514585 -0.743531 -1.244500 ESP Fit Center 8371 is at 7.476602 -0.321505 -1.244500 ESP Fit Center 8372 is at 7.363873 0.086957 -1.244500 ESP Fit Center 8373 is at 7.180023 0.468726 -1.244500 ESP Fit Center 8374 is at 6.930960 0.811533 -1.244500 ESP Fit Center 8375 is at 5.881420 -2.991390 -1.244500 ESP Fit Center 8376 is at 6.271053 -2.824853 -1.244500 ESP Fit Center 8377 is at 6.624688 -2.591420 -1.244500 ESP Fit Center 8378 is at 6.930960 -2.298595 -1.244500 ESP Fit Center 8379 is at 7.180023 -1.955788 -1.244500 ESP Fit Center 8380 is at 7.363873 -1.574019 -1.244500 ESP Fit Center 8381 is at 7.476602 -1.165557 -1.244500 ESP Fit Center 8382 is at 7.406308 -0.743531 -1.648593 ESP Fit Center 8383 is at 7.365553 -0.316720 -1.648593 ESP Fit Center 8384 is at 7.244759 0.094665 -1.648593 ESP Fit Center 8385 is at 7.048293 0.475756 -1.648593 ESP Fit Center 8386 is at 6.783256 0.812778 -1.648593 ESP Fit Center 8387 is at 5.682744 -2.935221 -1.648593 ESP Fit Center 8388 is at 6.087916 -2.794990 -1.648593 ESP Fit Center 8389 is at 6.459227 -2.580613 -1.648593 ESP Fit Center 8390 is at 6.783256 -2.299840 -1.648593 ESP Fit Center 8391 is at 7.048293 -1.962818 -1.648593 ESP Fit Center 8392 is at 7.244759 -1.581727 -1.648593 ESP Fit Center 8393 is at 7.365553 -1.170342 -1.648593 ESP Fit Center 8394 is at 7.229507 -0.743531 -2.027745 ESP Fit Center 8395 is at 7.186961 -0.325140 -2.027745 ESP Fit Center 8396 is at 7.061064 0.076122 -2.027745 ESP Fit Center 8397 is at 6.856971 0.443828 -2.027745 ESP Fit Center 8398 is at 6.583037 0.762923 -2.027745 ESP Fit Center 8399 is at 5.872906 -2.692612 -2.027745 ESP Fit Center 8400 is at 6.250477 -2.507405 -2.027745 ESP Fit Center 8401 is at 6.583037 -2.249985 -2.027745 ESP Fit Center 8402 is at 6.856971 -1.930890 -2.027745 ESP Fit Center 8403 is at 7.061064 -1.563184 -2.027745 ESP Fit Center 8404 is at 7.186961 -1.161922 -2.027745 ESP Fit Center 8405 is at 6.989553 -0.743531 -2.370435 ESP Fit Center 8406 is at 6.939996 -0.319542 -2.370435 ESP Fit Center 8407 is at 6.793996 0.081589 -2.370435 ESP Fit Center 8408 is at 6.559424 0.438238 -2.370435 ESP Fit Center 8409 is at 5.879241 -2.431677 -2.370435 ESP Fit Center 8410 is at 6.248926 -2.218240 -2.370435 ESP Fit Center 8411 is at 6.559424 -1.925300 -2.370435 ESP Fit Center 8412 is at 6.793996 -1.568651 -2.370435 ESP Fit Center 8413 is at 6.939996 -1.167520 -2.370435 ESP Fit Center 8414 is at 6.693736 -0.743531 -2.666252 ESP Fit Center 8415 is at 6.636529 -0.327318 -2.666252 ESP Fit Center 8416 is at 6.469151 0.058026 -2.666252 ESP Fit Center 8417 is at 5.860784 -2.113263 -2.666252 ESP Fit Center 8418 is at 6.204014 -1.870985 -2.666252 ESP Fit Center 8419 is at 6.469151 -1.545088 -2.666252 ESP Fit Center 8420 is at 6.636529 -1.159744 -2.666252 ESP Fit Center 8421 is at 6.351046 -0.743531 -2.906206 ESP Fit Center 8422 is at 6.070299 -1.514876 -2.906206 ESP Fit Center 8423 is at 6.278677 -1.153955 -2.906206 ESP Fit Center 8424 is at 3.013262 1.701805 -2.728821 ESP Fit Center 8425 is at 4.472747 1.519661 -3.107972 ESP Fit Center 8426 is at 4.065623 1.625073 -3.107972 ESP Fit Center 8427 is at 3.645614 1.646373 -3.107972 ESP Fit Center 8428 is at 3.229915 1.582690 -3.107972 ESP Fit Center 8429 is at 2.835544 1.436632 -3.107972 ESP Fit Center 8430 is at 2.478648 1.214176 -3.107972 ESP Fit Center 8431 is at 2.173837 0.924432 -3.107972 ESP Fit Center 8432 is at 1.933591 0.579261 -3.107972 ESP Fit Center 8433 is at 1.767745 0.192794 -3.107972 ESP Fit Center 8434 is at 1.683089 -0.219146 -3.107972 ESP Fit Center 8435 is at 1.683089 -0.639695 -3.107972 ESP Fit Center 8436 is at 1.767745 -1.051635 -3.107972 ESP Fit Center 8437 is at 1.933591 -1.438101 -3.107972 ESP Fit Center 8438 is at 2.173837 -1.783272 -3.107972 ESP Fit Center 8439 is at 2.478648 -2.073017 -3.107972 ESP Fit Center 8440 is at 2.835544 -2.295472 -3.107972 ESP Fit Center 8441 is at 3.229915 -2.441531 -3.107972 ESP Fit Center 8442 is at 3.645614 -2.505213 -3.107972 ESP Fit Center 8443 is at 4.065623 -2.483913 -3.107972 ESP Fit Center 8444 is at 5.393836 0.395700 -3.450663 ESP Fit Center 8445 is at 5.159264 0.752349 -3.450663 ESP Fit Center 8446 is at 4.848767 1.045289 -3.450663 ESP Fit Center 8447 is at 4.479082 1.258726 -3.450663 ESP Fit Center 8448 is at 4.070140 1.381155 -3.450663 ESP Fit Center 8449 is at 3.643987 1.405976 -3.450663 ESP Fit Center 8450 is at 3.223597 1.331850 -3.450663 ESP Fit Center 8451 is at 2.831633 1.162773 -3.450663 ESP Fit Center 8452 is at 2.489227 0.907861 -3.450663 ESP Fit Center 8453 is at 2.214837 0.580856 -3.450663 ESP Fit Center 8454 is at 2.023255 0.199386 -3.450663 ESP Fit Center 8455 is at 1.924811 -0.215983 -3.450663 ESP Fit Center 8456 is at 1.924811 -0.642858 -3.450663 ESP Fit Center 8457 is at 2.023255 -1.058226 -3.450663 ESP Fit Center 8458 is at 2.214837 -1.439696 -3.450663 ESP Fit Center 8459 is at 2.489227 -1.766701 -3.450663 ESP Fit Center 8460 is at 2.831633 -2.021614 -3.450663 ESP Fit Center 8461 is at 3.223597 -2.190690 -3.450663 ESP Fit Center 8462 is at 3.643987 -2.264816 -3.450663 ESP Fit Center 8463 is at 4.070140 -2.239996 -3.450663 ESP Fit Center 8464 is at 4.479082 -2.117567 -3.450663 ESP Fit Center 8465 is at 4.848767 -1.904129 -3.450663 ESP Fit Center 8466 is at 5.159264 -1.611189 -3.450663 ESP Fit Center 8467 is at 5.393836 -1.254540 -3.450663 ESP Fit Center 8468 is at 5.293577 -0.429420 -3.746479 ESP Fit Center 8469 is at 5.236370 -0.013207 -3.746479 ESP Fit Center 8470 is at 5.068991 0.372137 -3.746479 ESP Fit Center 8471 is at 4.803855 0.698033 -3.746479 ESP Fit Center 8472 is at 4.460624 0.940312 -3.746479 ESP Fit Center 8473 is at 4.064756 1.081003 -3.746479 ESP Fit Center 8474 is at 3.645610 1.109674 -3.746479 ESP Fit Center 8475 is at 3.234271 1.024197 -3.746479 ESP Fit Center 8476 is at 2.861247 0.830911 -3.746479 ESP Fit Center 8477 is at 2.554204 0.544153 -3.746479 ESP Fit Center 8478 is at 2.335914 0.185189 -3.746479 ESP Fit Center 8479 is at 2.222565 -0.219357 -3.746479 ESP Fit Center 8480 is at 2.222565 -0.639483 -3.746479 ESP Fit Center 8481 is at 2.335914 -1.044030 -3.746479 ESP Fit Center 8482 is at 2.554204 -1.402993 -3.746479 ESP Fit Center 8483 is at 2.861247 -1.689752 -3.746479 ESP Fit Center 8484 is at 3.234271 -1.883037 -3.746479 ESP Fit Center 8485 is at 3.645610 -1.968514 -3.746479 ESP Fit Center 8486 is at 4.064756 -1.939844 -3.746479 ESP Fit Center 8487 is at 4.460624 -1.799152 -3.746479 ESP Fit Center 8488 is at 4.803855 -1.556874 -3.746479 ESP Fit Center 8489 is at 5.068991 -1.230977 -3.746479 ESP Fit Center 8490 is at 5.236370 -0.845633 -3.746479 ESP Fit Center 8491 is at 4.950886 -0.429420 -3.986433 ESP Fit Center 8492 is at 4.878518 -0.018996 -3.986433 ESP Fit Center 8493 is at 4.670140 0.341925 -3.986433 ESP Fit Center 8494 is at 4.350886 0.609810 -3.986433 ESP Fit Center 8495 is at 3.959264 0.752349 -3.986433 ESP Fit Center 8496 is at 3.542509 0.752349 -3.986433 ESP Fit Center 8497 is at 3.150886 0.609810 -3.986433 ESP Fit Center 8498 is at 2.831633 0.341925 -3.986433 ESP Fit Center 8499 is at 2.623255 -0.018996 -3.986433 ESP Fit Center 8500 is at 2.550886 -0.429420 -3.986433 ESP Fit Center 8501 is at 2.623255 -0.839844 -3.986433 ESP Fit Center 8502 is at 2.831633 -1.200765 -3.986433 ESP Fit Center 8503 is at 3.150886 -1.468651 -3.986433 ESP Fit Center 8504 is at 3.542509 -1.611189 -3.986433 ESP Fit Center 8505 is at 3.959264 -1.611189 -3.986433 ESP Fit Center 8506 is at 4.350886 -1.468651 -3.986433 ESP Fit Center 8507 is at 4.670140 -1.200765 -3.986433 ESP Fit Center 8508 is at 4.878518 -0.839844 -3.986433 ESP Fit Center 8509 is at 4.571735 -0.429420 -4.163235 ESP Fit Center 8510 is at 4.461762 -0.018996 -4.163235 ESP Fit Center 8511 is at 4.161311 0.281455 -4.163235 ESP Fit Center 8512 is at 3.750886 0.391428 -4.163235 ESP Fit Center 8513 is at 3.340462 0.281455 -4.163235 ESP Fit Center 8514 is at 3.040011 -0.018996 -4.163235 ESP Fit Center 8515 is at 2.930038 -0.429420 -4.163235 ESP Fit Center 8516 is at 3.040011 -0.839844 -4.163235 ESP Fit Center 8517 is at 3.340462 -1.140296 -4.163235 ESP Fit Center 8518 is at 3.750886 -1.250268 -4.163235 ESP Fit Center 8519 is at 4.161311 -1.140296 -4.163235 ESP Fit Center 8520 is at 4.461762 -0.839844 -4.163235 ESP Fit Center 8521 is at 4.167642 -0.429420 -4.271511 ESP Fit Center 8522 is at 3.959264 -0.068499 -4.271511 ESP Fit Center 8523 is at 3.542509 -0.068499 -4.271511 ESP Fit Center 8524 is at 3.334131 -0.429420 -4.271511 ESP Fit Center 8525 is at 3.542509 -0.790341 -4.271511 ESP Fit Center 8526 is at 3.959264 -0.790341 -4.271511 ESP Fit Center 8527 is at 3.750886 -0.429420 -4.307972 ESP Fit Center 8528 is at 1.754508 1.360308 2.979445 ESP Fit Center 8529 is at 2.163008 1.360308 2.951503 ESP Fit Center 8530 is at 1.958758 1.714080 2.951503 ESP Fit Center 8531 is at 1.550258 1.714080 2.951503 ESP Fit Center 8532 is at 1.346008 1.360308 2.951503 ESP Fit Center 8533 is at 1.550258 1.006537 2.951503 ESP Fit Center 8534 is at 1.958758 1.006537 2.951503 ESP Fit Center 8535 is at 2.563898 1.360308 2.868197 ESP Fit Center 8536 is at 2.455460 1.765004 2.868197 ESP Fit Center 8537 is at 2.159203 2.061261 2.868197 ESP Fit Center 8538 is at 1.754508 2.169699 2.868197 ESP Fit Center 8539 is at 0.945117 1.360308 2.868197 ESP Fit Center 8540 is at 1.053555 0.955613 2.868197 ESP Fit Center 8541 is at 2.159203 0.659356 2.868197 ESP Fit Center 8542 is at 2.455460 0.955613 2.868197 ESP Fit Center 8543 is at 2.949711 1.360308 2.731079 ESP Fit Center 8544 is at 2.877631 1.769092 2.731079 ESP Fit Center 8545 is at 2.877631 0.951525 2.731079 ESP Fit Center 8546 is at 3.313259 1.360308 2.542703 ESP Fit Center 8547 is at 3.255457 1.780855 2.542703 ESP Fit Center 8548 is at 3.647771 1.360308 2.306579 ESP Fit Center 8549 is at 3.947015 1.360308 2.027105 ESP Fit Center 8550 is at 4.170163 1.774514 1.709486 ESP Fit Center 8551 is at 2.877631 1.769092 -2.772189 ESP Fit Center 8552 is at 2.670086 2.128570 -2.772189 ESP Fit Center 8553 is at 2.352109 2.395385 -2.772189 ESP Fit Center 8554 is at 2.455460 1.765004 -2.909307 ESP Fit Center 8555 is at 2.159203 2.061261 -2.909307 ESP Fit Center 8556 is at 2.163008 1.360308 -2.992613 ESP Fit Center 8557 is at 1.958758 1.714080 -2.992613 ESP Fit Center 8558 is at 1.550258 1.714080 -2.992613 ESP Fit Center 8559 is at 1.346008 1.360308 -2.992613 ESP Fit Center 8560 is at 1.550258 1.006537 -2.992613 ESP Fit Center 8561 is at 1.958758 1.006537 -2.992613 ESP Fit Center 8562 is at 1.754508 1.360308 -3.020555 ESP Fit Center 8563 is at 4.389468 1.265221 1.830118 ESP Fit Center 8564 is at 5.106675 0.964770 1.653316 ESP Fit Center 8565 is at 4.898297 1.325691 1.653316 ESP Fit Center 8566 is at 4.579044 1.593576 1.653316 ESP Fit Center 8567 is at 5.464527 0.970559 1.413362 ESP Fit Center 8568 is at 5.297148 1.355903 1.413362 ESP Fit Center 8569 is at 5.032012 1.681799 1.413362 ESP Fit Center 8570 is at 4.688781 1.924078 1.413362 ESP Fit Center 8571 is at 5.621993 1.379466 1.117546 ESP Fit Center 8572 is at 5.387421 1.736115 1.117546 ESP Fit Center 8573 is at 5.076924 2.029055 1.117546 ESP Fit Center 8574 is at 5.889061 1.373999 0.774855 ESP Fit Center 8575 is at 5.684968 1.741704 0.774855 ESP Fit Center 8576 is at 5.411034 2.060799 0.774855 ESP Fit Center 8577 is at 5.078475 2.318220 0.774855 ESP Fit Center 8578 is at 5.876291 1.773633 0.395704 ESP Fit Center 8579 is at 5.611254 2.110655 0.395704 ESP Fit Center 8580 is at 5.287224 2.391428 0.395704 ESP Fit Center 8581 is at 6.008020 1.766603 -0.008389 ESP Fit Center 8582 is at 5.758957 2.109409 -0.008389 ESP Fit Center 8583 is at 5.452686 2.402235 -0.008389 ESP Fit Center 8584 is at 5.817550 2.097036 -0.425145 ESP Fit Center 8585 is at 5.521734 2.392852 -0.425145 ESP Fit Center 8586 is at 5.758957 2.109409 -0.841900 ESP Fit Center 8587 is at 5.452686 2.402235 -0.841900 ESP Fit Center 8588 is at 5.287224 2.391428 -1.245993 ESP Fit Center 8589 is at 5.078475 2.318220 -1.625145 ESP Fit Center 8590 is at 5.515619 -1.725053 3.600681 ESP Fit Center 8591 is at 5.405647 -1.314629 3.600681 ESP Fit Center 8592 is at 5.105195 -2.435929 3.600681 ESP Fit Center 8593 is at 5.405647 -2.135477 3.600681 ESP Fit Center 8594 is at 5.894771 -1.725053 3.423880 ESP Fit Center 8595 is at 5.822402 -1.314629 3.423880 ESP Fit Center 8596 is at 5.614024 -0.953708 3.423880 ESP Fit Center 8597 is at 4.903149 -2.906822 3.423880 ESP Fit Center 8598 is at 5.294771 -2.764284 3.423880 ESP Fit Center 8599 is at 5.614024 -2.496398 3.423880 ESP Fit Center 8600 is at 5.822402 -2.135477 3.423880 ESP Fit Center 8601 is at 6.237461 -1.725053 3.183926 ESP Fit Center 8602 is at 6.180254 -1.308840 3.183926 ESP Fit Center 8603 is at 6.012876 -0.923496 3.183926 ESP Fit Center 8604 is at 5.747739 -0.597600 3.183926 ESP Fit Center 8605 is at 5.008641 -3.235477 3.183926 ESP Fit Center 8606 is at 5.404509 -3.094785 3.183926 ESP Fit Center 8607 is at 5.747739 -2.852507 3.183926 ESP Fit Center 8608 is at 6.012876 -2.526610 3.183926 ESP Fit Center 8609 is at 6.180254 -2.141266 3.183926 ESP Fit Center 8610 is at 6.533278 -1.725053 2.888109 ESP Fit Center 8611 is at 6.483721 -1.301064 2.888109 ESP Fit Center 8612 is at 6.337721 -0.899933 2.888109 ESP Fit Center 8613 is at 6.103149 -0.543284 2.888109 ESP Fit Center 8614 is at 5.792651 -0.250344 2.888109 ESP Fit Center 8615 is at 5.014024 -3.535629 2.888109 ESP Fit Center 8616 is at 5.422966 -3.413200 2.888109 ESP Fit Center 8617 is at 5.792651 -3.199762 2.888109 ESP Fit Center 8618 is at 6.103149 -2.906822 2.888109 ESP Fit Center 8619 is at 6.337721 -2.550173 2.888109 ESP Fit Center 8620 is at 6.483721 -2.149042 2.888109 ESP Fit Center 8621 is at 6.773232 -1.725053 2.545419 ESP Fit Center 8622 is at 6.730686 -1.306662 2.545419 ESP Fit Center 8623 is at 6.604789 -0.905400 2.545419 ESP Fit Center 8624 is at 6.400696 -0.537694 2.545419 ESP Fit Center 8625 is at 6.126762 -0.218600 2.545419 ESP Fit Center 8626 is at 5.794202 0.038821 2.545419 ESP Fit Center 8627 is at 5.009508 -3.779546 2.545419 ESP Fit Center 8628 is at 5.416631 -3.674134 2.545419 ESP Fit Center 8629 is at 5.794202 -3.488927 2.545419 ESP Fit Center 8630 is at 6.126762 -3.231507 2.545419 ESP Fit Center 8631 is at 6.400696 -2.912412 2.545419 ESP Fit Center 8632 is at 6.604789 -2.544706 2.545419 ESP Fit Center 8633 is at 6.730686 -2.143444 2.545419 ESP Fit Center 8634 is at 6.950033 -1.725053 2.166267 ESP Fit Center 8635 is at 6.909278 -1.298242 2.166267 ESP Fit Center 8636 is at 6.788484 -0.886857 2.166267 ESP Fit Center 8637 is at 6.592018 -0.505766 2.166267 ESP Fit Center 8638 is at 6.326981 -0.168744 2.166267 ESP Fit Center 8639 is at 6.002952 0.112029 2.166267 ESP Fit Center 8640 is at 4.802081 -3.977761 2.166267 ESP Fit Center 8641 is at 5.226469 -3.916743 2.166267 ESP Fit Center 8642 is at 5.631641 -3.776512 2.166267 ESP Fit Center 8643 is at 6.002952 -3.562136 2.166267 ESP Fit Center 8644 is at 6.326981 -3.281362 2.166267 ESP Fit Center 8645 is at 6.592018 -2.944340 2.166267 ESP Fit Center 8646 is at 6.788484 -2.563249 2.166267 ESP Fit Center 8647 is at 6.909278 -2.151864 2.166267 ESP Fit Center 8648 is at 7.058310 -1.725053 1.762174 ESP Fit Center 8649 is at 7.020327 -1.303027 1.762174 ESP Fit Center 8650 is at 6.907598 -0.894565 1.762174 ESP Fit Center 8651 is at 6.723748 -0.512796 1.762174 ESP Fit Center 8652 is at 6.474685 -0.169989 1.762174 ESP Fit Center 8653 is at 6.168413 0.122836 1.762174 ESP Fit Center 8654 is at 5.814778 0.356268 1.762174 ESP Fit Center 8655 is at 4.588731 -4.086212 1.762174 ESP Fit Center 8656 is at 5.012037 -4.067201 1.762174 ESP Fit Center 8657 is at 5.425145 -3.972912 1.762174 ESP Fit Center 8658 is at 5.814778 -3.806375 1.762174 ESP Fit Center 8659 is at 6.168413 -3.572942 1.762174 ESP Fit Center 8660 is at 6.474685 -3.280117 1.762174 ESP Fit Center 8661 is at 6.723748 -2.937310 1.762174 ESP Fit Center 8662 is at 6.907598 -2.555541 1.762174 ESP Fit Center 8663 is at 7.020327 -2.147079 1.762174 ESP Fit Center 8664 is at 7.094771 -1.725053 1.345419 ESP Fit Center 8665 is at 7.058310 -1.308297 1.345419 ESP Fit Center 8666 is at 6.950033 -0.904205 1.345419 ESP Fit Center 8667 is at 6.773232 -0.525053 1.345419 ESP Fit Center 8668 is at 6.533278 -0.182363 1.345419 ESP Fit Center 8669 is at 6.237461 0.113454 1.345419 ESP Fit Center 8670 is at 4.694771 -4.125053 1.345419 ESP Fit Center 8671 is at 5.111527 -4.088592 1.345419 ESP Fit Center 8672 is at 5.515619 -3.980315 1.345419 ESP Fit Center 8673 is at 5.894771 -3.803514 1.345419 ESP Fit Center 8674 is at 6.237461 -3.563560 1.345419 ESP Fit Center 8675 is at 6.533278 -3.267743 1.345419 ESP Fit Center 8676 is at 6.773232 -2.925053 1.345419 ESP Fit Center 8677 is at 6.950033 -2.545901 1.345419 ESP Fit Center 8678 is at 7.058310 -2.141809 1.345419 ESP Fit Center 8679 is at 7.058310 -1.725053 0.928663 ESP Fit Center 8680 is at 7.020327 -1.303027 0.928663 ESP Fit Center 8681 is at 6.907598 -0.894565 0.928663 ESP Fit Center 8682 is at 5.012037 -4.067201 0.928663 ESP Fit Center 8683 is at 5.425145 -3.972912 0.928663 ESP Fit Center 8684 is at 5.814778 -3.806375 0.928663 ESP Fit Center 8685 is at 6.168413 -3.572942 0.928663 ESP Fit Center 8686 is at 6.474685 -3.280117 0.928663 ESP Fit Center 8687 is at 6.723748 -2.937310 0.928663 ESP Fit Center 8688 is at 6.907598 -2.555541 0.928663 ESP Fit Center 8689 is at 7.020327 -2.147079 0.928663 ESP Fit Center 8690 is at 6.950033 -1.725053 0.524570 ESP Fit Center 8691 is at 5.226469 -3.916743 0.524570 ESP Fit Center 8692 is at 5.631641 -3.776512 0.524570 ESP Fit Center 8693 is at 6.002952 -3.562136 0.524570 ESP Fit Center 8694 is at 6.326981 -3.281362 0.524570 ESP Fit Center 8695 is at 6.592018 -2.944340 0.524570 ESP Fit Center 8696 is at 6.788484 -2.563249 0.524570 ESP Fit Center 8697 is at 6.909278 -2.151864 0.524570 ESP Fit Center 8698 is at 5.416631 -3.674134 0.145419 ESP Fit Center 8699 is at 5.794202 -3.488927 0.145419 ESP Fit Center 8700 is at 6.126762 -3.231507 0.145419 ESP Fit Center 8701 is at 6.400696 -2.912412 0.145419 ESP Fit Center 8702 is at 6.604789 -2.544706 0.145419 ESP Fit Center 8703 is at 5.792651 -3.199762 -0.197271 ESP Fit Center 8704 is at 6.103149 -2.906822 -0.197271 ESP Fit Center 8705 is at 0.852776 2.246030 2.933104 ESP Fit Center 8706 is at 1.261276 2.246030 2.905161 ESP Fit Center 8707 is at 1.057026 2.599802 2.905161 ESP Fit Center 8708 is at 0.648526 2.599802 2.905161 ESP Fit Center 8709 is at 0.444276 2.246030 2.905161 ESP Fit Center 8710 is at 0.648526 1.892259 2.905161 ESP Fit Center 8711 is at 1.057026 1.892259 2.905161 ESP Fit Center 8712 is at 0.448081 2.946983 2.821855 ESP Fit Center 8713 is at 0.151824 2.650726 2.821855 ESP Fit Center 8714 is at 0.043386 2.246030 2.821855 ESP Fit Center 8715 is at 0.151824 1.841335 2.821855 ESP Fit Center 8716 is at 0.448081 1.545078 2.821855 ESP Fit Center 8717 is at -0.062802 3.014292 2.684738 ESP Fit Center 8718 is at -0.270347 2.654814 2.684738 ESP Fit Center 8719 is at -0.342427 2.246030 2.684738 ESP Fit Center 8720 is at -0.270347 1.837247 2.684738 ESP Fit Center 8721 is at -0.062802 1.477768 2.684738 ESP Fit Center 8722 is at -0.691457 2.458280 2.496362 ESP Fit Center 8723 is at -0.691457 2.033780 2.496362 ESP Fit Center 8724 is at -0.576928 1.625022 2.496362 ESP Fit Center 8725 is at -1.029389 2.450728 2.260237 ESP Fit Center 8726 is at -1.029389 2.041333 2.260237 ESP Fit Center 8727 is at -1.029389 2.041333 -2.394030 ESP Fit Center 8728 is at -0.941381 1.641508 -2.394030 ESP Fit Center 8729 is at -0.691457 2.458280 -2.630155 ESP Fit Center 8730 is at -0.691457 2.033780 -2.630155 ESP Fit Center 8731 is at -0.576928 1.625022 -2.630155 ESP Fit Center 8732 is at 1.975900 2.654814 -2.818530 ESP Fit Center 8733 is at -0.270347 2.654814 -2.818530 ESP Fit Center 8734 is at -0.342427 2.246030 -2.818530 ESP Fit Center 8735 is at -0.270347 1.837247 -2.818530 ESP Fit Center 8736 is at -0.062802 1.477768 -2.818530 ESP Fit Center 8737 is at 0.255175 1.210954 -2.818530 ESP Fit Center 8738 is at 1.662167 2.246030 -2.955648 ESP Fit Center 8739 is at 1.553729 2.650726 -2.955648 ESP Fit Center 8740 is at 0.448081 2.946983 -2.955648 ESP Fit Center 8741 is at 0.151824 2.650726 -2.955648 ESP Fit Center 8742 is at 0.043386 2.246030 -2.955648 ESP Fit Center 8743 is at 0.151824 1.841335 -2.955648 ESP Fit Center 8744 is at 0.448081 1.545078 -2.955648 ESP Fit Center 8745 is at 0.852776 1.436640 -2.955648 ESP Fit Center 8746 is at 1.261276 2.246030 -3.038954 ESP Fit Center 8747 is at 1.057026 2.599802 -3.038954 ESP Fit Center 8748 is at 0.648526 2.599802 -3.038954 ESP Fit Center 8749 is at 0.444276 2.246030 -3.038954 ESP Fit Center 8750 is at 0.648526 1.892259 -3.038954 ESP Fit Center 8751 is at 1.057026 1.892259 -3.038954 ESP Fit Center 8752 is at 0.852776 2.246030 -3.066896 ESP Fit Center 8753 is at -0.919157 -6.116810 1.947478 ESP Fit Center 8754 is at -0.527535 -6.259349 1.947478 ESP Fit Center 8755 is at -0.110779 -6.259349 1.947478 ESP Fit Center 8756 is at 0.280843 -6.116810 1.947478 ESP Fit Center 8757 is at -1.208796 -6.337911 1.707524 ESP Fit Center 8758 is at -0.835772 -6.531196 1.707524 ESP Fit Center 8759 is at -0.424434 -6.616674 1.707524 ESP Fit Center 8760 is at -0.005287 -6.588003 1.707524 ESP Fit Center 8761 is at 0.390581 -6.447311 1.707524 ESP Fit Center 8762 is at 0.733811 -6.205033 1.707524 ESP Fit Center 8763 is at -1.855207 -6.087856 1.411707 ESP Fit Center 8764 is at -1.580817 -6.414861 1.411707 ESP Fit Center 8765 is at -1.238410 -6.669773 1.411707 ESP Fit Center 8766 is at -0.846446 -6.838850 1.411707 ESP Fit Center 8767 is at -0.426056 -6.912976 1.411707 ESP Fit Center 8768 is at 0.000097 -6.888155 1.411707 ESP Fit Center 8769 is at 0.409039 -6.765726 1.411707 ESP Fit Center 8770 is at 0.778723 -6.552288 1.411707 ESP Fit Center 8771 is at 1.089221 -6.259349 1.411707 ESP Fit Center 8772 is at -2.136452 -6.086261 1.069017 ESP Fit Center 8773 is at -1.896206 -6.431432 1.069017 ESP Fit Center 8774 is at -1.591395 -6.721176 1.069017 ESP Fit Center 8775 is at -1.234499 -6.943631 1.069017 ESP Fit Center 8776 is at -0.840128 -7.089690 1.069017 ESP Fit Center 8777 is at -0.424429 -7.153373 1.069017 ESP Fit Center 8778 is at -0.004420 -7.132072 1.069017 ESP Fit Center 8779 is at 0.402704 -7.026661 1.069017 ESP Fit Center 8780 is at 0.780274 -6.841454 1.069017 ESP Fit Center 8781 is at 1.112834 -6.584033 1.069017 ESP Fit Center 8782 is at 1.386768 -6.264938 1.069017 ESP Fit Center 8783 is at -2.323714 -6.111001 0.689865 ESP Fit Center 8784 is at -2.091913 -6.471690 0.689865 ESP Fit Center 8785 is at -1.796039 -6.781993 0.689865 ESP Fit Center 8786 is at -1.446788 -7.030694 0.689865 ESP Fit Center 8787 is at -1.056781 -7.208804 0.689865 ESP Fit Center 8788 is at -0.640114 -7.309887 0.689865 ESP Fit Center 8789 is at -0.211847 -7.330287 0.689865 ESP Fit Center 8790 is at 0.212542 -7.269270 0.689865 ESP Fit Center 8791 is at 0.617713 -7.129038 0.689865 ESP Fit Center 8792 is at 0.989024 -6.914662 0.689865 ESP Fit Center 8793 is at 1.313053 -6.633889 0.689865 ESP Fit Center 8794 is at 1.578091 -6.296866 0.689865 ESP Fit Center 8795 is at -2.231300 -6.466833 0.285773 ESP Fit Center 8796 is at -1.952510 -6.785933 0.285773 ESP Fit Center 8797 is at -1.621223 -7.050126 0.285773 ESP Fit Center 8798 is at -1.248087 -7.250919 0.285773 ESP Fit Center 8799 is at -0.845094 -7.381859 0.285773 ESP Fit Center 8800 is at -0.425196 -7.438738 0.285773 ESP Fit Center 8801 is at -0.001891 -7.419728 0.285773 ESP Fit Center 8802 is at 0.411217 -7.325438 0.285773 ESP Fit Center 8803 is at 0.800850 -7.158901 0.285773 ESP Fit Center 8804 is at 1.154486 -6.925469 0.285773 ESP Fit Center 8805 is at 1.460757 -6.632643 0.285773 ESP Fit Center 8806 is at 1.709820 -6.289837 0.285773 ESP Fit Center 8807 is at -2.397618 -6.277580 -0.130983 ESP Fit Center 8808 is at -2.157663 -6.620270 -0.130983 ESP Fit Center 8809 is at -1.861847 -6.916086 -0.130983 ESP Fit Center 8810 is at -1.519157 -7.156041 -0.130983 ESP Fit Center 8811 is at -1.140005 -7.332842 -0.130983 ESP Fit Center 8812 is at -0.735912 -7.441118 -0.130983 ESP Fit Center 8813 is at -0.319157 -7.477580 -0.130983 ESP Fit Center 8814 is at 0.097599 -7.441118 -0.130983 ESP Fit Center 8815 is at 0.501692 -7.332842 -0.130983 ESP Fit Center 8816 is at 0.880843 -7.156041 -0.130983 ESP Fit Center 8817 is at 1.223534 -6.916086 -0.130983 ESP Fit Center 8818 is at 1.519350 -6.620270 -0.130983 ESP Fit Center 8819 is at 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3.648351 2.811768 ESP Fit Center 9400 is at -5.104480 3.648351 2.811768 ESP Fit Center 9401 is at -5.496103 3.505812 2.811768 ESP Fit Center 9402 is at -5.815356 3.237927 2.811768 ESP Fit Center 9403 is at -6.023734 2.877006 2.811768 ESP Fit Center 9404 is at -6.096103 2.466582 2.811768 ESP Fit Center 9405 is at -6.023734 2.056157 2.811768 ESP Fit Center 9406 is at -5.815356 1.695236 2.811768 ESP Fit Center 9407 is at -5.496103 1.427351 2.811768 ESP Fit Center 9408 is at -4.582233 3.977005 2.571814 ESP Fit Center 9409 is at -5.001379 4.005675 2.571814 ESP Fit Center 9410 is at -5.412718 3.920198 2.571814 ESP Fit Center 9411 is at -5.785742 3.726913 2.571814 ESP Fit Center 9412 is at -6.092785 3.440155 2.571814 ESP Fit Center 9413 is at -6.311075 3.081191 2.571814 ESP Fit Center 9414 is at -6.424424 2.676645 2.571814 ESP Fit Center 9415 is at -6.424424 2.256519 2.571814 ESP Fit Center 9416 is at -6.311075 1.851972 2.571814 ESP Fit Center 9417 is at -6.092785 1.493008 2.571814 ESP Fit Center 9418 is at -5.003002 4.301978 2.275997 ESP Fit Center 9419 is at -5.423392 4.227852 2.275997 ESP Fit Center 9420 is at -5.815356 4.058775 2.275997 ESP Fit Center 9421 is at -6.157762 3.803863 2.275997 ESP Fit Center 9422 is at -6.432152 3.476857 2.275997 ESP Fit Center 9423 is at -6.623734 3.095388 2.275997 ESP Fit Center 9424 is at -6.722178 2.680019 2.275997 ESP Fit Center 9425 is at -6.722178 2.253144 2.275997 ESP Fit Center 9426 is at -6.623734 1.837775 2.275997 ESP Fit Center 9427 is at -6.432152 1.456306 2.275997 ESP Fit Center 9428 is at -5.001375 4.542375 1.933307 ESP Fit Center 9429 is at -5.417074 4.478692 1.933307 ESP Fit Center 9430 is at -5.811445 4.332633 1.933307 ESP Fit Center 9431 is at -6.168341 4.110178 1.933307 ESP Fit Center 9432 is at -6.473152 3.820434 1.933307 ESP Fit Center 9433 is at -6.713398 3.475263 1.933307 ESP Fit Center 9434 is at -6.879244 3.088796 1.933307 ESP Fit Center 9435 is at -6.963900 2.676856 1.933307 ESP Fit Center 9436 is at -6.963900 2.256307 1.933307 ESP Fit Center 9437 is at -6.879244 1.844367 1.933307 ESP Fit Center 9438 is at -4.788793 4.719289 1.554155 ESP Fit Center 9439 is at -5.217060 4.698889 1.554155 ESP Fit Center 9440 is at -5.633727 4.597806 1.554155 ESP Fit Center 9441 is at -6.023734 4.419696 1.554155 ESP Fit Center 9442 is at -6.372985 4.170995 1.554155 ESP Fit Center 9443 is at -6.668858 3.860692 1.554155 ESP Fit Center 9444 is at -6.900660 3.500003 1.554155 ESP Fit Center 9445 is at -7.060011 3.101962 1.554155 ESP Fit Center 9446 is at -7.141153 2.680958 1.554155 ESP Fit Center 9447 is at -7.141153 2.252205 1.554155 ESP Fit Center 9448 is at -5.002142 4.827740 1.150063 ESP Fit Center 9449 is at -5.422039 4.770861 1.150063 ESP Fit Center 9450 is at -5.825032 4.639921 1.150063 ESP Fit Center 9451 is at -6.198169 4.439128 1.150063 ESP Fit Center 9452 is at -6.529456 4.174935 1.150063 ESP Fit Center 9453 is at -6.808245 3.855835 1.150063 ESP Fit Center 9454 is at -7.025577 3.492083 1.150063 ESP Fit Center 9455 is at -7.174466 3.095370 1.150063 ESP Fit Center 9456 is at -7.250126 2.678448 1.150063 ESP Fit Center 9457 is at -5.312858 4.830120 0.733307 ESP Fit Center 9458 is at -5.716951 4.721844 0.733307 ESP Fit Center 9459 is at -6.096103 4.545043 0.733307 ESP Fit Center 9460 is at -6.438793 4.305088 0.733307 ESP Fit Center 9461 is at -6.734609 4.009272 0.733307 ESP Fit Center 9462 is at -6.974564 3.666582 0.733307 ESP Fit Center 9463 is at -7.151365 3.287430 0.733307 ESP Fit Center 9464 is at -7.259641 2.883337 0.733307 ESP Fit Center 9465 is at -5.422039 4.770861 0.316551 ESP Fit Center 9466 is at -5.825032 4.639921 0.316551 ESP Fit Center 9467 is at -6.198169 4.439128 0.316551 ESP Fit Center 9468 is at -6.529456 4.174935 0.316551 ESP Fit Center 9469 is at -6.808245 3.855835 0.316551 ESP Fit Center 9470 is at -7.025577 3.492083 0.316551 ESP Fit Center 9471 is at -7.174466 3.095370 0.316551 ESP Fit Center 9472 is at -6.023734 4.419696 -0.087541 ESP Fit Center 9473 is at -6.372985 4.170995 -0.087541 ESP Fit Center 9474 is at -6.668858 3.860692 -0.087541 ESP Fit Center 9475 is at -6.900660 3.500003 -0.087541 ESP Fit Center 9476 is at -7.060011 3.101962 -0.087541 ESP Fit Center 9477 is at -6.168341 4.110178 -0.466693 ESP Fit Center 9478 is at -6.473152 3.820434 -0.466693 ESP Fit Center 9479 is at -6.713398 3.475263 -0.466693 ESP Fit Center 9480 is at -6.879244 3.088796 -0.466693 ESP Fit Center 9481 is at -6.432152 3.476857 -0.809383 ESP Fit Center 9482 is at -6.623734 3.095388 -0.809383 ESP Fit Center 9483 is at -3.046438 4.879997 -0.723532 ESP Fit Center 9484 is at -3.450530 4.988273 -0.723532 ESP Fit Center 9485 is at -3.867286 5.024735 -0.723532 ESP Fit Center 9486 is at -4.284042 4.988273 -0.723532 ESP Fit Center 9487 is at -4.688134 4.879997 -0.723532 ESP Fit Center 9488 is at -3.136912 4.872593 -1.140288 ESP Fit Center 9489 is at -3.550021 4.966883 -1.140288 ESP Fit Center 9490 is at -3.973326 4.985893 -1.140288 ESP Fit Center 9491 is at -4.393223 4.929014 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ESP Fit Center 9510 is at -5.139524 4.268331 -1.923532 ESP Fit Center 9511 is at -5.444335 3.978587 -1.923532 ESP Fit Center 9512 is at -5.684581 3.633416 -1.923532 ESP Fit Center 9513 is at -5.850427 3.246949 -1.923532 ESP Fit Center 9514 is at -5.935083 2.835009 -1.923532 ESP Fit Center 9515 is at -1.831371 2.206344 -1.923532 ESP Fit Center 9516 is at -2.028779 2.624735 -2.266222 ESP Fit Center 9517 is at -2.769406 4.099444 -2.266222 ESP Fit Center 9518 is at -3.139091 4.312881 -2.266222 ESP Fit Center 9519 is at -3.548033 4.435310 -2.266222 ESP Fit Center 9520 is at -3.974186 4.460131 -2.266222 ESP Fit Center 9521 is at -4.394576 4.386005 -2.266222 ESP Fit Center 9522 is at -4.786539 4.216928 -2.266222 ESP Fit Center 9523 is at -5.128946 3.962016 -2.266222 ESP Fit Center 9524 is at -5.403336 3.635011 -2.266222 ESP Fit Center 9525 is at -5.594917 3.253541 -2.266222 ESP Fit Center 9526 is at -5.693361 2.838172 -2.266222 ESP Fit Center 9527 is at -5.693361 2.411297 -2.266222 ESP Fit Center 9528 is at -2.224337 1.799614 -2.266222 ESP Fit Center 9529 is at -2.078337 2.200746 -2.266222 ESP Fit Center 9530 is at -2.324596 2.624735 -2.562039 ESP Fit Center 9531 is at -2.381803 3.040948 -2.562039 ESP Fit Center 9532 is at -2.549182 3.426292 -2.562039 ESP Fit Center 9533 is at -2.814318 3.752188 -2.562039 ESP Fit Center 9534 is at -3.157548 3.994467 -2.562039 ESP Fit Center 9535 is at -3.553416 4.135158 -2.562039 ESP Fit Center 9536 is at -3.972563 4.163829 -2.562039 ESP Fit Center 9537 is at -4.383902 4.078351 -2.562039 ESP Fit Center 9538 is at -4.756925 3.885066 -2.562039 ESP Fit Center 9539 is at -5.063968 3.598308 -2.562039 ESP Fit Center 9540 is at -5.282259 3.239344 -2.562039 ESP Fit Center 9541 is at -5.395608 2.834798 -2.562039 ESP Fit Center 9542 is at -5.395608 2.414672 -2.562039 ESP Fit Center 9543 is at -5.282259 2.010125 -2.562039 ESP Fit Center 9544 is at -2.549182 1.823178 -2.562039 ESP Fit Center 9545 is at -2.381803 2.208522 -2.562039 ESP Fit Center 9546 is at -2.667286 2.624735 -2.801993 ESP Fit Center 9547 is at -2.739655 3.035159 -2.801993 ESP Fit Center 9548 is at -2.948033 3.396080 -2.801993 ESP Fit Center 9549 is at -3.267286 3.663965 -2.801993 ESP Fit Center 9550 is at -3.658908 3.806504 -2.801993 ESP Fit Center 9551 is at -4.075664 3.806504 -2.801993 ESP Fit Center 9552 is at -4.467286 3.663965 -2.801993 ESP Fit Center 9553 is at -4.786539 3.396080 -2.801993 ESP Fit Center 9554 is at -4.994917 3.035159 -2.801993 ESP Fit Center 9555 is at -5.067286 2.624735 -2.801993 ESP Fit Center 9556 is at -4.994917 2.214310 -2.801993 ESP Fit Center 9557 is at -4.786539 1.853390 -2.801993 ESP Fit Center 9558 is at -4.467286 1.585504 -2.801993 ESP Fit Center 9559 is at -3.267286 1.585504 -2.801993 ESP Fit Center 9560 is at -2.948033 1.853390 -2.801993 ESP Fit Center 9561 is at -2.739655 2.214310 -2.801993 ESP Fit Center 9562 is at -3.046438 2.624735 -2.978794 ESP Fit Center 9563 is at -3.156411 3.035159 -2.978794 ESP Fit Center 9564 is at -3.456862 3.335610 -2.978794 ESP Fit Center 9565 is at -3.867286 3.445583 -2.978794 ESP Fit Center 9566 is at -4.277710 3.335610 -2.978794 ESP Fit Center 9567 is at -4.578162 3.035159 -2.978794 ESP Fit Center 9568 is at -4.688134 2.624735 -2.978794 ESP Fit Center 9569 is at -4.578162 2.214310 -2.978794 ESP Fit Center 9570 is at -4.277710 1.913859 -2.978794 ESP Fit Center 9571 is at -3.867286 1.803886 -2.978794 ESP Fit Center 9572 is at -3.456862 1.913859 -2.978794 ESP Fit Center 9573 is at -3.156411 2.214310 -2.978794 ESP Fit Center 9574 is at -3.450530 2.624735 -3.087071 ESP Fit Center 9575 is at -3.658908 2.985656 -3.087071 ESP Fit Center 9576 is at -4.075664 2.985656 -3.087071 ESP Fit Center 9577 is at -4.284042 2.624735 -3.087071 ESP Fit Center 9578 is at -4.075664 2.263814 -3.087071 ESP Fit Center 9579 is at -3.658908 2.263814 -3.087071 ESP Fit Center 9580 is at -3.867286 2.624735 -3.123532 ESP Fit Center 9581 is at -3.083601 2.434584 3.272608 ESP Fit Center 9582 is at -2.666846 2.434584 3.236146 ESP Fit Center 9583 is at -2.875224 2.795505 3.236146 ESP Fit Center 9584 is at -3.291979 2.795505 3.236146 ESP Fit Center 9585 is at -3.500357 2.434584 3.236146 ESP Fit Center 9586 is at -3.291979 2.073663 3.236146 ESP Fit Center 9587 is at -2.875224 2.073663 3.236146 ESP Fit Center 9588 is at -2.262753 2.434584 3.127870 ESP Fit Center 9589 is at -2.372726 2.845008 3.127870 ESP Fit Center 9590 is at -2.673177 3.145460 3.127870 ESP Fit Center 9591 is at -3.083601 3.255433 3.127870 ESP Fit Center 9592 is at -3.494026 3.145460 3.127870 ESP Fit Center 9593 is at -3.083601 1.613736 3.127870 ESP Fit Center 9594 is at -2.673177 1.723709 3.127870 ESP Fit Center 9595 is at -2.372726 2.024160 3.127870 ESP Fit Center 9596 is at -1.883601 2.434584 2.951069 ESP Fit Center 9597 is at -1.955970 2.845008 2.951069 ESP Fit Center 9598 is at -2.164348 3.205929 2.951069 ESP Fit Center 9599 is at -2.483601 3.473815 2.951069 ESP Fit Center 9600 is at -2.875224 3.616354 2.951069 ESP Fit Center 9601 is at -3.291979 3.616354 2.951069 ESP Fit Center 9602 is at -3.683601 3.473815 2.951069 ESP Fit Center 9603 is at -2.875224 1.252815 2.951069 ESP Fit Center 9604 is at -2.483601 1.395354 2.951069 ESP Fit Center 9605 is at -2.164348 1.663239 2.951069 ESP Fit Center 9606 is at -1.955970 2.024160 2.951069 ESP Fit Center 9607 is at -1.540911 2.434584 2.711114 ESP Fit Center 9608 is at -1.598118 2.850797 2.711114 ESP Fit Center 9609 is at -1.765497 3.236141 2.711114 ESP Fit Center 9610 is at -2.030633 3.562038 2.711114 ESP Fit Center 9611 is at -2.373864 3.804316 2.711114 ESP Fit Center 9612 is at -2.769732 3.945008 2.711114 ESP Fit Center 9613 is at -3.188878 3.973678 2.711114 ESP Fit Center 9614 is at -3.600217 3.888201 2.711114 ESP Fit Center 9615 is at -2.030633 1.307131 2.711114 ESP Fit Center 9616 is at -1.765497 1.633027 2.711114 ESP Fit Center 9617 is at -1.598118 2.018371 2.711114 ESP Fit Center 9618 is at -1.245095 2.434584 2.415298 ESP Fit Center 9619 is at -1.294652 2.858573 2.415298 ESP Fit Center 9620 is at -2.355406 4.122731 2.415298 ESP Fit Center 9621 is at -2.764348 4.245160 2.415298 ESP Fit Center 9622 is at -3.190501 4.269980 2.415298 ESP Fit Center 9623 is at -1.440652 1.609464 2.415298 ESP Fit Center 9624 is at -1.294652 2.010595 2.415298 ESP Fit Center 9625 is at -2.768865 4.489077 2.072608 ESP Fit Center 9626 is at -3.188874 4.510378 2.072608 ESP Fit Center 9627 is at -2.976292 4.687292 1.693456 ESP Fit Center 9628 is at 1.158213 3.541379 2.948764 ESP Fit Center 9629 is at 0.953964 3.895151 2.920822 ESP Fit Center 9630 is at 0.749714 3.541379 2.920822 ESP Fit Center 9631 is at 0.953964 3.187608 2.920822 ESP Fit Center 9632 is at 1.362463 3.187608 2.920822 ESP Fit Center 9633 is at 1.158213 4.350770 2.837516 ESP Fit Center 9634 is at 0.753518 4.242332 2.837516 ESP Fit Center 9635 is at 0.348823 3.541379 2.837516 ESP Fit Center 9636 is at 0.457261 3.136684 2.837516 ESP Fit Center 9637 is at 0.035090 3.132596 2.700398 ESP Fit Center 9638 is at 1.755815 4.576456 -2.802870 ESP Fit Center 9639 is at 2.073792 2.773117 -2.802870 ESP Fit Center 9640 is at 1.967604 3.541379 -2.939988 ESP Fit Center 9641 is at 1.859166 3.946074 -2.939988 ESP Fit Center 9642 is at 1.562909 4.242332 -2.939988 ESP Fit Center 9643 is at 1.158213 4.350770 -2.939988 ESP Fit Center 9644 is at 0.457261 3.136684 -2.939988 ESP Fit Center 9645 is at 1.562909 2.840427 -2.939988 ESP Fit Center 9646 is at 1.859166 3.136684 -2.939988 ESP Fit Center 9647 is at 1.566713 3.541379 -3.023294 ESP Fit Center 9648 is at 1.362463 3.895151 -3.023294 ESP Fit Center 9649 is at 0.953964 3.895151 -3.023294 ESP Fit Center 9650 is at 0.749714 3.541379 -3.023294 ESP Fit Center 9651 is at 0.953964 3.187608 -3.023294 ESP Fit Center 9652 is at 1.362463 3.187608 -3.023294 ESP Fit Center 9653 is at 1.158213 3.541379 -3.051236 ESP Fit Center 9654 is at -1.675185 2.152827 -1.953686 ESP Fit Center 9655 is at -1.274494 2.353188 -2.193640 ESP Fit Center 9656 is at -1.346863 1.942764 -2.193640 ESP Fit Center 9657 is at 0.818995 4.936300 2.758903 ESP Fit Center 9658 is at 0.522737 5.232557 2.758903 ESP Fit Center 9659 is at 1.241166 4.940388 2.621785 ESP Fit Center 9660 is at 1.033621 5.299866 2.621785 ESP Fit Center 9661 is at 0.715644 5.566681 2.621785 ESP Fit Center 9662 is at 0.325587 5.708650 2.621785 ESP Fit Center 9663 is at 1.181973 5.670796 2.433409 ESP Fit Center 9664 is at 0.835169 5.915597 2.433409 ESP Fit Center 9665 is at 0.435180 6.057754 2.433409 ESP Fit Center 9666 is at 0.011669 6.086722 2.433409 ESP Fit Center 9667 is at 1.343715 5.974578 2.197285 ESP Fit Center 9668 is at 1.004863 6.204326 2.197285 ESP Fit Center 9669 is at 0.624544 6.355859 2.197285 ESP Fit Center 9670 is at 0.220541 6.422092 2.197285 ESP Fit Center 9671 is at -0.188254 6.399927 2.197285 ESP Fit Center 9672 is at 0.222366 6.721629 1.917810 ESP Fit Center 9673 is at -0.193984 6.701796 1.917810 ESP Fit Center 9674 is at -0.599057 6.603526 1.917810 ESP Fit Center 9675 is at -0.599640 6.875083 1.600192 ESP Fit Center 9676 is at -0.985367 6.720085 1.600192 ESP Fit Center 9677 is at -0.705073 7.064891 1.250346 ESP Fit Center 9678 is at -1.091232 6.904939 1.250346 ESP Fit Center 9679 is at -1.447615 6.686547 1.250346 ESP Fit Center 9680 is at -1.174483 7.045581 0.874790 ESP Fit Center 9681 is at -1.526747 6.830598 0.874790 ESP Fit Center 9682 is at -1.843955 6.566615 0.874790 ESP Fit Center 9683 is at -2.119346 6.259260 0.874790 ESP Fit Center 9684 is at -1.350584 7.075339 0.480519 ESP Fit Center 9685 is at -1.690311 6.846191 0.480519 ESP Fit Center 9686 is at -1.994840 6.571991 0.480519 ESP Fit Center 9687 is at -2.258245 6.258078 0.480519 ESP Fit Center 9688 is at -2.475398 5.910561 0.480519 ESP Fit Center 9689 is at -1.378461 7.123624 0.074878 ESP Fit Center 9690 is at -1.724636 6.890126 0.074878 ESP Fit Center 9691 is at -2.034946 6.610721 0.074878 ESP Fit Center 9692 is at -2.303351 6.290849 0.074878 ESP Fit Center 9693 is at -2.524626 5.936736 0.074878 ESP Fit Center 9694 is at -2.694464 5.555273 0.074878 ESP Fit Center 9695 is at -2.809560 5.153885 0.074878 ESP Fit Center 9696 is at -1.378461 7.123624 -0.334576 ESP Fit Center 9697 is at -1.724636 6.890126 -0.334576 ESP Fit Center 9698 is at -2.034946 6.610721 -0.334576 ESP Fit Center 9699 is at -2.303351 6.290849 -0.334576 ESP Fit Center 9700 is at -2.524626 5.936736 -0.334576 ESP Fit Center 9701 is at -2.694464 5.555273 -0.334576 ESP Fit Center 9702 is at -2.809560 5.153885 -0.334576 ESP Fit Center 9703 is at -1.350584 7.075339 -0.740217 ESP Fit Center 9704 is at -1.690311 6.846191 -0.740217 ESP Fit Center 9705 is at -1.994840 6.571991 -0.740217 ESP Fit Center 9706 is at -2.258245 6.258078 -0.740217 ESP Fit Center 9707 is at -2.475398 5.910561 -0.740217 ESP Fit Center 9708 is at -2.642072 5.536204 -0.740217 ESP Fit Center 9709 is at -2.755024 5.142293 -0.740217 ESP Fit Center 9710 is at -1.174483 7.045581 -1.134488 ESP Fit Center 9711 is at -1.526747 6.830598 -1.134488 ESP Fit Center 9712 is at -1.843955 6.566615 -1.134488 ESP Fit Center 9713 is at -2.119346 6.259260 -1.134488 ESP Fit Center 9714 is at -2.347052 5.915082 -1.134488 ESP Fit Center 9715 is at -1.091232 6.904939 -1.510044 ESP Fit Center 9716 is at -1.447615 6.686547 -1.510044 ESP Fit Center 9717 is at -1.765447 6.415093 -1.510044 ESP Fit Center 9718 is at -0.599640 6.875083 -1.859890 ESP Fit Center 9719 is at -0.985367 6.720085 -1.859890 ESP Fit Center 9720 is at -1.339350 6.502129 -1.859890 ESP Fit Center 9721 is at -0.193984 6.701796 -2.177508 ESP Fit Center 9722 is at -0.599057 6.603526 -2.177508 ESP Fit Center 9723 is at -0.978212 6.430372 -2.177508 ESP Fit Center 9724 is at 1.625256 5.677359 -2.456983 ESP Fit Center 9725 is at 1.343715 5.974578 -2.456983 ESP Fit Center 9726 is at 1.004863 6.204326 -2.456983 ESP Fit Center 9727 is at 0.624544 6.355859 -2.456983 ESP Fit Center 9728 is at 0.220541 6.422092 -2.456983 ESP Fit Center 9729 is at -0.188254 6.399927 -2.456983 ESP Fit Center 9730 is at -0.582727 6.290402 -2.456983 ESP Fit Center 9731 is at 1.618991 4.952151 -2.693107 ESP Fit Center 9732 is at 1.449870 5.341507 -2.693107 ESP Fit Center 9733 is at 1.181973 5.670796 -2.693107 ESP Fit Center 9734 is at 0.835169 5.915597 -2.693107 ESP Fit Center 9735 is at 0.435180 6.057754 -2.693107 ESP Fit Center 9736 is at 0.011669 6.086722 -2.693107 ESP Fit Center 9737 is at 1.313245 4.531604 -2.881483 ESP Fit Center 9738 is at 1.241166 4.940388 -2.881483 ESP Fit Center 9739 is at 1.033621 5.299866 -2.881483 ESP Fit Center 9740 is at 0.715644 5.566681 -2.881483 ESP Fit Center 9741 is at 0.325587 5.708650 -2.881483 ESP Fit Center 9742 is at 0.927432 4.531604 -3.018601 ESP Fit Center 9743 is at 0.818995 4.936300 -3.018601 ESP Fit Center 9744 is at 0.522737 5.232557 -3.018601 ESP Fit Center 9745 is at 0.818995 4.126909 -3.018601 ESP Fit Center 9746 is at 2.425200 5.492018 2.654412 ESP Fit Center 9747 is at 2.009579 5.405651 2.654412 ESP Fit Center 9748 is at 1.632672 5.210353 2.654412 ESP Fit Center 9749 is at 1.322432 4.920609 2.654412 ESP Fit Center 9750 is at 3.038075 5.761154 2.418288 ESP Fit Center 9751 is at 2.634073 5.827387 2.418288 ESP Fit Center 9752 is at 2.225277 5.805223 2.418288 ESP Fit Center 9753 is at 1.830804 5.695698 2.418288 ESP Fit Center 9754 is at 1.469098 5.503933 2.418288 ESP Fit Center 9755 is at 3.803353 5.722864 2.138814 ESP Fit Center 9756 is at 3.442374 5.931275 2.138814 ESP Fit Center 9757 is at 3.048477 6.067604 2.138814 ESP Fit Center 9758 is at 2.635897 6.126924 2.138814 ESP Fit Center 9759 is at 2.219547 6.107091 2.138814 ESP Fit Center 9760 is at 1.814474 6.008822 2.138814 ESP Fit Center 9761 is at 4.671252 5.132196 1.821195 ESP Fit Center 9762 is at 4.438469 5.476610 1.821195 ESP Fit Center 9763 is at 4.150827 5.776730 1.821195 ESP Fit Center 9764 is at 3.816603 6.023921 1.821195 ESP Fit Center 9765 is at 1.813891 6.280378 1.821195 ESP Fit Center 9766 is at 5.162435 4.353587 1.471349 ESP Fit Center 9767 is at 5.064860 4.760015 1.471349 ESP Fit Center 9768 is at 4.904908 5.146174 1.471349 ESP Fit Center 9769 is at 4.686516 5.502557 1.471349 ESP Fit Center 9770 is at 4.415062 5.820389 1.471349 ESP Fit Center 9771 is at 5.358356 3.936900 1.095793 ESP Fit Center 9772 is at 5.328232 4.348483 1.095793 ESP Fit Center 9773 is at 5.238502 4.751293 1.095793 ESP Fit Center 9774 is at 5.091079 5.136747 1.095793 ESP Fit Center 9775 is at 4.889104 5.496627 1.095793 ESP Fit Center 9776 is at 4.636883 5.823265 1.095793 ESP Fit Center 9777 is at 4.889104 2.377172 1.095793 ESP Fit Center 9778 is at 5.091079 2.737053 1.095793 ESP Fit Center 9779 is at 5.238502 3.122506 1.095793 ESP Fit Center 9780 is at 5.328232 3.525317 1.095793 ESP Fit Center 9781 is at 5.468826 3.936900 0.701522 ESP Fit Center 9782 is at 5.440241 4.345686 0.701522 ESP Fit Center 9783 is at 5.355042 4.746516 0.701522 ESP Fit Center 9784 is at 5.214887 5.131588 0.701522 ESP Fit Center 9785 is at 5.022505 5.493406 0.701522 ESP Fit Center 9786 is at 4.781639 5.824929 0.701522 ESP Fit Center 9787 is at 5.214887 2.742212 0.701522 ESP Fit Center 9788 is at 5.355042 3.127283 0.701522 ESP Fit Center 9789 is at 5.440241 3.528113 0.701522 ESP Fit Center 9790 is at 5.524580 3.936900 0.295881 ESP Fit Center 9791 is at 5.495452 4.353446 0.295881 ESP Fit Center 9792 is at 5.408636 4.761884 0.295881 ESP Fit Center 9793 is at 5.265821 5.154265 0.295881 ESP Fit Center 9794 is at 5.069787 5.522951 0.295881 ESP Fit Center 9795 is at 5.408636 3.111915 0.295881 ESP Fit Center 9796 is at 5.495452 3.520354 0.295881 ESP Fit Center 9797 is at 5.524580 3.936900 -0.113573 ESP Fit Center 9798 is at 5.495452 4.353446 -0.113573 ESP Fit Center 9799 is at 5.408636 4.761884 -0.113573 ESP Fit Center 9800 is at 5.265821 5.154265 -0.113573 ESP Fit Center 9801 is at 5.069787 5.522951 -0.113573 ESP Fit Center 9802 is at 5.440241 4.345686 -0.519214 ESP Fit Center 9803 is at 5.355042 4.746516 -0.519214 ESP Fit Center 9804 is at 5.214887 5.131588 -0.519214 ESP Fit Center 9805 is at 5.022505 5.493406 -0.519214 ESP Fit Center 9806 is at 5.328232 4.348483 -0.913485 ESP Fit Center 9807 is at 5.238502 4.751293 -0.913485 ESP Fit Center 9808 is at 5.091079 5.136747 -0.913485 ESP Fit Center 9809 is at 4.889104 5.496627 -0.913485 ESP Fit Center 9810 is at 5.064860 4.760015 -1.289041 ESP Fit Center 9811 is at 4.904908 5.146174 -1.289041 ESP Fit Center 9812 is at 4.686516 5.502557 -1.289041 ESP Fit Center 9813 is at 4.842481 4.753395 -1.638887 ESP Fit Center 9814 is at 4.671252 5.132196 -1.638887 ESP Fit Center 9815 is at 4.438469 5.476610 -1.638887 ESP Fit Center 9816 is at 4.567027 4.751773 -1.956505 ESP Fit Center 9817 is at 4.376028 5.122259 -1.956505 ESP Fit Center 9818 is at 4.118366 5.449903 -1.956505 ESP Fit Center 9819 is at 4.038788 5.082654 -2.235980 ESP Fit Center 9820 is at 3.757246 5.379874 -2.235980 ESP Fit Center 9821 is at 3.863401 4.746802 -2.472104 ESP Fit Center 9822 is at 3.595504 5.076092 -2.472104 ESP Fit Center 9823 is at 3.248701 5.320893 -2.472104 ESP Fit Center 9824 is at 2.848711 5.463049 -2.472104 ESP Fit Center 9825 is at 2.425200 5.492018 -2.472104 ESP Fit Center 9826 is at 2.009579 5.405651 -2.472104 ESP Fit Center 9827 is at 3.447152 4.705162 -2.660480 ESP Fit Center 9828 is at 3.129175 4.971976 -2.660480 ESP Fit Center 9829 is at 2.739118 5.113945 -2.660480 ESP Fit Center 9830 is at 2.324029 5.113945 -2.660480 ESP Fit Center 9831 is at 1.933972 4.971976 -2.660480 ESP Fit Center 9832 is at 3.232526 4.341595 -2.797598 ESP Fit Center 9833 is at 2.936269 4.637852 -2.797598 ESP Fit Center 9834 is at 2.531573 4.746290 -2.797598 ESP Fit Center 9835 is at 2.126878 4.637852 -2.797598 ESP Fit Center 9836 is at 2.735823 4.290671 -2.880904 ESP Fit Center 9837 is at 2.327323 4.290671 -2.880904 ESP Fit Center 9838 is at 2.123073 3.936900 -2.880904 ESP Fit Center 9839 is at 2.327323 3.583128 -2.880904 ESP Fit Center 9840 is at 2.531573 3.936900 -2.908846 ESP Fit Center 9841 is at 1.475783 6.316862 1.911205 ESP Fit Center 9842 is at 1.156530 6.584747 1.911205 ESP Fit Center 9843 is at 0.764908 6.727286 1.911205 ESP Fit Center 9844 is at 0.348152 6.727286 1.911205 ESP Fit Center 9845 is at 1.609498 6.672970 1.671251 ESP Fit Center 9846 is at 1.266268 6.915249 1.671251 ESP Fit Center 9847 is at 0.870399 7.055940 1.671251 ESP Fit Center 9848 is at 0.451253 7.084611 1.671251 ESP Fit Center 9849 is at 0.039914 6.999134 1.671251 ESP Fit Center 9850 is at 1.654410 7.020226 1.375435 ESP Fit Center 9851 is at 1.284725 7.233663 1.375435 ESP Fit Center 9852 is at 0.875783 7.356092 1.375435 ESP Fit Center 9853 is at 0.449630 7.380913 1.375435 ESP Fit Center 9854 is at 0.029240 7.306787 1.375435 ESP Fit Center 9855 is at -0.362724 7.137710 1.375435 ESP Fit Center 9856 is at 1.988521 7.051970 1.032744 ESP Fit Center 9857 is at 1.655961 7.309391 1.032744 ESP Fit Center 9858 is at 1.278390 7.494598 1.032744 ESP Fit Center 9859 is at 0.871266 7.600010 1.032744 ESP Fit Center 9860 is at 0.451257 7.621310 1.032744 ESP Fit Center 9861 is at 0.035558 7.557627 1.032744 ESP Fit Center 9862 is at -0.358812 7.411569 1.032744 ESP Fit Center 9863 is at -0.715709 7.189113 1.032744 ESP Fit Center 9864 is at 1.864710 7.382599 0.653593 ESP Fit Center 9865 is at 1.493400 7.596976 0.653593 ESP Fit Center 9866 is at 1.088228 7.737207 0.653593 ESP Fit Center 9867 is at 0.663839 7.798225 0.653593 ESP Fit Center 9868 is at 0.235572 7.777824 0.653593 ESP Fit Center 9869 is at -0.181094 7.676742 0.653593 ESP Fit Center 9870 is at -0.571101 7.498631 0.653593 ESP Fit Center 9871 is at -0.920353 7.249930 0.653593 ESP Fit Center 9872 is at 2.030172 7.393406 0.249500 ESP Fit Center 9873 is at 1.676537 7.626838 0.249500 ESP Fit Center 9874 is at 1.286903 7.793376 0.249500 ESP Fit Center 9875 is at 0.873795 7.887665 0.249500 ESP Fit Center 9876 is at 0.450490 7.906675 0.249500 ESP Fit Center 9877 is at 0.030593 7.849797 0.249500 ESP Fit Center 9878 is at -0.372400 7.718856 0.249500 ESP Fit Center 9879 is at -0.745537 7.518063 0.249500 ESP Fit Center 9880 is at 2.099220 7.384023 -0.167256 ESP Fit Center 9881 is at 1.756530 7.623978 -0.167256 ESP Fit Center 9882 is at 1.377378 7.800779 -0.167256 ESP Fit Center 9883 is at 0.973285 7.909055 -0.167256 ESP Fit Center 9884 is at 0.556530 7.945517 -0.167256 ESP Fit Center 9885 is at 0.139774 7.909055 -0.167256 ESP Fit Center 9886 is at -0.264319 7.800779 -0.167256 ESP Fit Center 9887 is at -0.643470 7.623978 -0.167256 ESP Fit Center 9888 is at -0.986161 7.384023 -0.167256 ESP Fit Center 9889 is at 2.030172 7.393406 -0.584011 ESP Fit Center 9890 is at 1.676537 7.626838 -0.584011 ESP Fit Center 9891 is at 1.286903 7.793376 -0.584011 ESP Fit Center 9892 is at 0.873795 7.887665 -0.584011 ESP Fit Center 9893 is at 0.450490 7.906675 -0.584011 ESP Fit Center 9894 is at 0.030593 7.849797 -0.584011 ESP Fit Center 9895 is at -0.372400 7.718856 -0.584011 ESP Fit Center 9896 is at -0.745537 7.518063 -0.584011 ESP Fit Center 9897 is at -1.076824 7.253870 -0.584011 ESP Fit Center 9898 is at 1.864710 7.382599 -0.988104 ESP Fit Center 9899 is at 1.493400 7.596976 -0.988104 ESP Fit Center 9900 is at 1.088228 7.737207 -0.988104 ESP Fit Center 9901 is at 0.663839 7.798225 -0.988104 ESP Fit Center 9902 is at 0.235572 7.777824 -0.988104 ESP Fit Center 9903 is at -0.181094 7.676742 -0.988104 ESP Fit Center 9904 is at -0.571101 7.498631 -0.988104 ESP Fit Center 9905 is at -0.920353 7.249930 -0.988104 ESP Fit Center 9906 is at 1.988521 7.051970 -1.367256 ESP Fit Center 9907 is at 1.655961 7.309391 -1.367256 ESP Fit Center 9908 is at 1.278390 7.494598 -1.367256 ESP Fit Center 9909 is at 0.871266 7.600010 -1.367256 ESP Fit Center 9910 is at 0.451257 7.621310 -1.367256 ESP Fit Center 9911 is at 0.035558 7.557627 -1.367256 ESP Fit Center 9912 is at -0.358812 7.411569 -1.367256 ESP Fit Center 9913 is at -0.715709 7.189113 -1.367256 ESP Fit Center 9914 is at 1.964908 6.727286 -1.709946 ESP Fit Center 9915 is at 1.654410 7.020226 -1.709946 ESP Fit Center 9916 is at 1.284725 7.233663 -1.709946 ESP Fit Center 9917 is at 0.875783 7.356092 -1.709946 ESP Fit Center 9918 is at 0.449630 7.380913 -1.709946 ESP Fit Center 9919 is at 0.029240 7.306787 -1.709946 ESP Fit Center 9920 is at -0.362724 7.137710 -1.709946 ESP Fit Center 9921 is at 1.874634 6.347074 -2.005762 ESP Fit Center 9922 is at 1.609498 6.672970 -2.005762 ESP Fit Center 9923 is at 1.266268 6.915249 -2.005762 ESP Fit Center 9924 is at 0.870399 7.055940 -2.005762 ESP Fit Center 9925 is at 0.451253 7.084611 -2.005762 ESP Fit Center 9926 is at 0.039914 6.999134 -2.005762 ESP Fit Center 9927 is at 1.475783 6.316862 -2.245717 ESP Fit Center 9928 is at 1.156530 6.584747 -2.245717 ESP Fit Center 9929 is at 0.764908 6.727286 -2.245717 ESP Fit Center 9930 is at 0.348152 6.727286 -2.245717 ESP Fit Center 9931 is at -0.534974 4.433764 3.151773 ESP Fit Center 9932 is at -0.118218 4.433764 3.115311 ESP Fit Center 9933 is at -0.326596 4.794685 3.115311 ESP Fit Center 9934 is at -0.743351 4.794685 3.115311 ESP Fit Center 9935 is at -0.951729 4.433764 3.115311 ESP Fit Center 9936 is at -0.743351 4.072843 3.115311 ESP Fit Center 9937 is at -0.326596 4.072843 3.115311 ESP Fit Center 9938 is at 0.285875 4.433764 3.007035 ESP Fit Center 9939 is at 0.175902 4.844189 3.007035 ESP Fit Center 9940 is at -0.124550 5.144640 3.007035 ESP Fit Center 9941 is at -0.534974 5.254613 3.007035 ESP Fit Center 9942 is at -0.945398 5.144640 3.007035 ESP Fit Center 9943 is at -1.245849 4.844189 3.007035 ESP Fit Center 9944 is at -1.355822 4.433764 3.007035 ESP Fit Center 9945 is at -1.245849 4.023340 3.007035 ESP Fit Center 9946 is at -0.945398 3.722889 3.007035 ESP Fit Center 9947 is at -0.534974 3.612916 3.007035 ESP Fit Center 9948 is at -0.124550 3.722889 3.007035 ESP Fit Center 9949 is at 0.175902 4.023340 3.007035 ESP Fit Center 9950 is at 0.665026 4.433764 2.830233 ESP Fit Center 9951 is at 0.592657 4.844189 2.830233 ESP Fit Center 9952 is at 0.384280 5.205109 2.830233 ESP Fit Center 9953 is at 0.065026 5.472995 2.830233 ESP Fit Center 9954 is at -0.326596 5.615534 2.830233 ESP Fit Center 9955 is at -0.743351 5.615534 2.830233 ESP Fit Center 9956 is at -1.134974 5.472995 2.830233 ESP Fit Center 9957 is at -1.454227 5.205109 2.830233 ESP Fit Center 9958 is at -1.662605 4.844189 2.830233 ESP Fit Center 9959 is at -1.734974 4.433764 2.830233 ESP Fit Center 9960 is at -1.662605 4.023340 2.830233 ESP Fit Center 9961 is at -1.454227 3.662419 2.830233 ESP Fit Center 9962 is at -1.134974 3.394534 2.830233 ESP Fit Center 9963 is at -0.743351 3.251995 2.830233 ESP Fit Center 9964 is at -0.326596 3.251995 2.830233 ESP Fit Center 9965 is at 0.065026 3.394534 2.830233 ESP Fit Center 9966 is at 0.174764 5.803496 2.590279 ESP Fit Center 9967 is at -0.221104 5.944188 2.590279 ESP Fit Center 9968 is at -0.640251 5.972858 2.590279 ESP Fit Center 9969 is at -1.051589 5.887381 2.590279 ESP Fit Center 9970 is at -1.424613 5.694096 2.590279 ESP Fit Center 9971 is at -1.731656 5.407338 2.590279 ESP Fit Center 9972 is at -1.949947 5.048374 2.590279 ESP Fit Center 9973 is at -2.063295 4.643827 2.590279 ESP Fit Center 9974 is at -2.063295 4.223701 2.590279 ESP Fit Center 9975 is at -1.949947 3.819155 2.590279 ESP Fit Center 9976 is at -1.731656 3.460191 2.590279 ESP Fit Center 9977 is at -1.424613 3.173433 2.590279 ESP Fit Center 9978 is at -1.051589 2.980148 2.590279 ESP Fit Center 9979 is at -0.640251 2.894670 2.590279 ESP Fit Center 9980 is at -0.641873 6.269161 2.294463 ESP Fit Center 9981 is at -1.062263 6.195034 2.294463 ESP Fit Center 9982 is at -1.454227 6.025958 2.294463 ESP Fit Center 9983 is at -1.796634 5.771046 2.294463 ESP Fit Center 9984 is at -2.071024 5.444040 2.294463 ESP Fit Center 9985 is at -2.262605 5.062571 2.294463 ESP Fit Center 9986 is at -2.361049 4.647202 2.294463 ESP Fit Center 9987 is at -1.062263 2.672494 2.294463 ESP Fit Center 9988 is at -1.055945 6.445875 1.951773 ESP Fit Center 9989 is at -1.450316 6.299816 1.951773 ESP Fit Center 9990 is at -1.807212 6.077361 1.951773 ESP Fit Center 9991 is at -2.112023 5.787617 1.951773 ESP Fit Center 9992 is at -2.352269 5.442446 1.951773 ESP Fit Center 9993 is at -2.518115 5.055979 1.951773 ESP Fit Center 9994 is at -2.602771 4.644039 1.951773 ESP Fit Center 9995 is at -1.662605 6.386879 1.572621 ESP Fit Center 9996 is at -2.011856 6.138178 1.572621 ESP Fit Center 9997 is at -2.307730 5.827875 1.572621 ESP Fit Center 9998 is at -2.539531 5.467185 1.572621 ESP Fit Center 9999 is at -2.698882 5.069145 1.572621 ESP Fit Center **** is at -1.837040 6.406310 1.168528 ESP Fit Center **** is at -2.168327 6.142118 1.168528 ESP Fit Center **** is at -2.447117 5.823017 1.168528 ESP Fit Center **** is at -2.664448 5.459265 1.168528 ESP Fit Center **** is at -2.813337 5.062553 1.168528 ESP Fit Center **** is at -2.373480 5.976455 0.751773 ESP Fit Center **** is at -2.613435 5.633764 0.751773 ESP Fit Center **** is at -2.790236 5.254613 0.751773 ESP Fit Center **** is at -2.813337 5.062553 0.335017 ESP Fit Center **** is at -2.577044 5.540641 -1.021502 ESP Fit Center **** is at -2.753845 5.161489 -1.021502 ESP Fit Center **** is at -2.131936 6.048994 -1.438258 ESP Fit Center **** is at -2.410726 5.729894 -1.438258 ESP Fit Center **** is at -2.628057 5.366142 -1.438258 ESP Fit Center **** is at -2.776946 4.969429 -1.438258 ESP Fit Center **** is at -1.626214 6.293755 -1.842351 ESP Fit Center **** is at -1.975465 6.045054 -1.842351 ESP Fit Center **** is at -2.271339 5.734751 -1.842351 ESP Fit Center **** is at -2.503140 5.374062 -1.842351 ESP Fit Center **** is at -2.662491 4.976022 -1.842351 ESP Fit Center **** is at -2.743633 4.555017 -1.842351 ESP Fit Center **** is at -1.413925 6.206692 -2.221502 ESP Fit Center **** is at -1.770821 5.984237 -2.221502 ESP Fit Center **** is at -2.075632 5.694493 -2.221502 ESP Fit Center **** is at -2.315878 5.349322 -2.221502 ESP Fit Center **** is at -2.481724 4.962855 -2.221502 ESP Fit Center **** is at -2.566380 4.550915 -2.221502 ESP Fit Center **** is at -2.566380 4.130366 -2.221502 ESP Fit Center **** is at -1.770821 2.697044 -2.221502 ESP Fit Center **** is at -1.413925 2.474589 -2.221502 ESP Fit Center **** is at -0.605482 6.176037 -2.564193 ESP Fit Center **** is at -1.025872 6.101911 -2.564193 ESP Fit Center **** is at -1.417836 5.932834 -2.564193 ESP Fit Center **** is at -1.760243 5.677922 -2.564193 ESP Fit Center **** is at -2.034633 5.350917 -2.564193 ESP Fit Center **** is at -2.226214 4.969447 -2.564193 ESP Fit Center **** is at -2.324658 4.554078 -2.564193 ESP Fit Center **** is at -2.324658 4.127203 -2.564193 ESP Fit Center **** is at -2.226214 3.711834 -2.564193 ESP Fit Center **** is at -2.034633 3.330365 -2.564193 ESP Fit Center **** is at -1.760243 3.003360 -2.564193 ESP Fit Center **** is at -1.417836 2.748447 -2.564193 ESP Fit Center **** is at -1.025872 2.579371 -2.564193 ESP Fit Center **** is at -0.184713 5.851064 -2.860009 ESP Fit Center **** is at -0.603860 5.879735 -2.860009 ESP Fit Center **** is at -1.015198 5.794258 -2.860009 ESP Fit Center **** is at -1.388222 5.600972 -2.860009 ESP Fit Center **** is at -1.695265 5.314214 -2.860009 ESP Fit Center **** is at -1.913556 4.955250 -2.860009 ESP Fit Center **** is at -2.026904 4.550704 -2.860009 ESP Fit Center **** is at -2.026904 4.130578 -2.860009 ESP Fit Center **** is at -1.913556 3.726031 -2.860009 ESP Fit Center **** is at -1.695265 3.367068 -2.860009 ESP Fit Center **** is at -1.388222 3.080309 -2.860009 ESP Fit Center **** is at -1.015198 2.887024 -2.860009 ESP Fit Center **** is at -0.603860 2.801547 -2.860009 ESP Fit Center **** is at -0.184713 2.830217 -2.860009 ESP Fit Center **** is at 0.701417 4.340641 -3.099963 ESP Fit Center **** is at 0.629048 4.751065 -3.099963 ESP Fit Center **** is at 0.420671 5.111986 -3.099963 ESP Fit Center **** is at 0.101417 5.379871 -3.099963 ESP Fit Center **** is at -0.290205 5.522410 -3.099963 ESP Fit Center **** is at -0.706961 5.522410 -3.099963 ESP Fit Center **** is at -1.098583 5.379871 -3.099963 ESP Fit Center **** is at -1.417836 5.111986 -3.099963 ESP Fit Center **** is at -1.626214 4.751065 -3.099963 ESP Fit Center **** is at -1.698583 4.340641 -3.099963 ESP Fit Center **** is at -1.626214 3.930217 -3.099963 ESP Fit Center **** is at -1.417836 3.569296 -3.099963 ESP Fit Center **** is at -1.098583 3.301410 -3.099963 ESP Fit Center **** is at -0.706961 3.158871 -3.099963 ESP Fit Center **** is at -0.290205 3.158871 -3.099963 ESP Fit Center **** is at 0.101417 3.301410 -3.099963 ESP Fit Center **** is at 0.420671 3.569296 -3.099963 ESP Fit Center **** is at 0.629048 3.930217 -3.099963 ESP Fit Center **** is at 0.322266 4.340641 -3.276765 ESP Fit Center **** is at 0.212293 4.751065 -3.276765 ESP Fit Center **** is at -0.088159 5.051516 -3.276765 ESP Fit Center **** is at -0.498583 5.161489 -3.276765 ESP Fit Center **** is at -0.909007 5.051516 -3.276765 ESP Fit Center **** is at -1.209458 4.751065 -3.276765 ESP Fit Center **** is at -1.319431 4.340641 -3.276765 ESP Fit Center **** is at -1.209458 3.930217 -3.276765 ESP Fit Center **** is at -0.909007 3.629765 -3.276765 ESP Fit Center **** is at -0.498583 3.519792 -3.276765 ESP Fit Center **** is at -0.088159 3.629765 -3.276765 ESP Fit Center **** is at 0.212293 3.930217 -3.276765 ESP Fit Center **** is at -0.081827 4.340641 -3.385041 ESP Fit Center **** is at -0.290205 4.701562 -3.385041 ESP Fit Center **** is at -0.706961 4.701562 -3.385041 ESP Fit Center **** is at -0.915338 4.340641 -3.385041 ESP Fit Center **** is at -0.706961 3.979720 -3.385041 ESP Fit Center **** is at -0.290205 3.979720 -3.385041 ESP Fit Center **** is at -0.498583 4.340641 -3.421502 ESP Fit Center **** is at 3.347176 6.386462 1.748129 ESP Fit Center **** is at 2.951308 6.527153 1.748129 ESP Fit Center **** is at 2.532161 6.555824 1.748129 ESP Fit Center **** is at 2.120823 6.470347 1.748129 ESP Fit Center **** is at 4.045816 6.198499 1.452313 ESP Fit Center **** is at 3.735318 6.491439 1.452313 ESP Fit Center **** is at 3.365633 6.704876 1.452313 ESP Fit Center **** is at 2.956692 6.827305 1.452313 ESP Fit Center **** is at 2.530539 6.852126 1.452313 ESP Fit Center **** is at 2.110149 6.778000 1.452313 ESP Fit Center **** is at 4.343363 6.204089 1.109623 ESP Fit Center **** is at 4.069429 6.523183 1.109623 ESP Fit Center **** is at 3.736869 6.780604 1.109623 ESP Fit Center **** is at 3.359299 6.965811 1.109623 ESP Fit Center **** is at 2.952175 7.071223 1.109623 ESP Fit Center **** is at 2.532166 7.092523 1.109623 ESP Fit Center **** is at 2.116467 7.028840 1.109623 ESP Fit Center **** is at 4.534686 6.236017 0.730471 ESP Fit Center **** is at 4.269648 6.573039 0.730471 ESP Fit Center **** is at 3.945619 6.853812 0.730471 ESP Fit Center **** is at 3.574308 7.068189 0.730471 ESP Fit Center **** is at 3.169136 7.208420 0.730471 ESP Fit Center **** is at 2.744748 7.269438 0.730471 ESP Fit Center **** is at 2.316481 7.249037 0.730471 ESP Fit Center **** is at 4.850265 5.847218 0.326378 ESP Fit Center **** is at 4.666415 6.228987 0.326378 ESP Fit Center **** is at 4.417352 6.571793 0.326378 ESP Fit Center **** is at 4.111080 6.864619 0.326378 ESP Fit Center **** is at 3.757445 7.098051 0.326378 ESP Fit Center **** is at 3.367812 7.264589 0.326378 ESP Fit Center **** is at 2.954704 7.358878 0.326378 ESP Fit Center **** is at 2.531398 7.377889 0.326378 ESP Fit Center **** is at 2.111501 7.321010 0.326378 ESP Fit Center **** is at 4.892700 5.837578 -0.090377 ESP Fit Center **** is at 4.715899 6.216730 -0.090377 ESP Fit Center **** is at 4.475945 6.559420 -0.090377 ESP Fit Center **** is at 4.180128 6.855237 -0.090377 ESP Fit Center **** is at 3.837438 7.095191 -0.090377 ESP Fit Center **** is at 3.458287 7.271992 -0.090377 ESP Fit Center **** is at 3.054194 7.380268 -0.090377 ESP Fit Center **** is at 2.637438 7.416730 -0.090377 ESP Fit Center **** is at 2.220683 7.380268 -0.090377 ESP Fit Center **** is at 4.850265 5.847218 -0.507133 ESP Fit Center **** is at 4.666415 6.228987 -0.507133 ESP Fit Center **** is at 4.417352 6.571793 -0.507133 ESP Fit Center **** is at 4.111080 6.864619 -0.507133 ESP Fit Center **** is at 3.757445 7.098051 -0.507133 ESP Fit Center **** is at 3.367812 7.264589 -0.507133 ESP Fit Center **** is at 2.954704 7.358878 -0.507133 ESP Fit Center **** is at 2.531398 7.377889 -0.507133 ESP Fit Center **** is at 4.731151 5.854926 -0.911226 ESP Fit Center **** is at 4.534686 6.236017 -0.911226 ESP Fit Center **** is at 4.269648 6.573039 -0.911226 ESP Fit Center **** is at 3.945619 6.853812 -0.911226 ESP Fit Center **** is at 3.574308 7.068189 -0.911226 ESP Fit Center **** is at 3.169136 7.208420 -0.911226 ESP Fit Center **** is at 2.744748 7.269438 -0.911226 ESP Fit Center **** is at 2.316481 7.249037 -0.911226 ESP Fit Center **** is at 4.547456 5.836383 -1.290377 ESP Fit Center **** is at 4.343363 6.204089 -1.290377 ESP Fit Center **** is at 4.069429 6.523183 -1.290377 ESP Fit Center **** is at 3.736869 6.780604 -1.290377 ESP Fit Center **** is at 3.359299 6.965811 -1.290377 ESP Fit Center **** is at 2.952175 7.071223 -1.290377 ESP Fit Center **** is at 2.532166 7.092523 -1.290377 ESP Fit Center **** is at 2.116467 7.028840 -1.290377 ESP Fit Center **** is at 4.280388 5.841850 -1.633067 ESP Fit Center **** is at 4.045816 6.198499 -1.633067 ESP Fit Center **** is at 3.735318 6.491439 -1.633067 ESP Fit Center **** is at 3.365633 6.704876 -1.633067 ESP Fit Center **** is at 2.956692 6.827305 -1.633067 ESP Fit Center **** is at 2.530539 6.852126 -1.633067 ESP Fit Center **** is at 2.110149 6.778000 -1.633067 ESP Fit Center **** is at 3.955543 5.818287 -1.928884 ESP Fit Center **** is at 3.690406 6.144183 -1.928884 ESP Fit Center **** is at 3.347176 6.386462 -1.928884 ESP Fit Center **** is at 2.951308 6.527153 -1.928884 ESP Fit Center **** is at 2.532161 6.555824 -1.928884 ESP Fit Center **** is at 2.120823 6.470347 -1.928884 ESP Fit Center **** is at 3.556692 5.788075 -2.168838 ESP Fit Center **** is at 3.237438 6.055960 -2.168838 ESP Fit Center **** is at 2.845816 6.198499 -2.168838 ESP Fit Center **** is at 2.429060 6.198499 -2.168838 ESP Fit Center **** is at 2.037438 6.055960 -2.168838 ESP Fit Center **** is at 3.047862 5.727605 -2.345639 ESP Fit Center **** is at 2.637438 5.837578 -2.345639 ESP Fit Center **** is at 2.227014 5.727605 -2.345639 ESP Fit Center **** is at 5.247593 2.518927 0.213401 ESP Fit Center **** is at 5.368387 2.930312 0.213401 ESP Fit Center **** is at 5.517419 3.357123 -0.190692 ESP Fit Center **** is at 5.366707 2.526635 -0.190692 ESP Fit Center **** is at 5.479436 2.935097 -0.190692 ESP Fit Center **** is at 5.553880 3.357123 -0.607447 ESP Fit Center **** is at 5.517419 3.773879 -0.607447 ESP Fit Center **** is at 5.409142 2.536275 -0.607447 ESP Fit Center **** is at 5.517419 2.940367 -0.607447 ESP Fit Center **** is at 5.517419 3.357123 -1.024203 ESP Fit Center **** is at 5.479436 3.779149 -1.024203 ESP Fit Center **** is at 5.366707 4.187611 -1.024203 ESP Fit Center **** is at 5.366707 2.526635 -1.024203 ESP Fit Center **** is at 5.479436 2.935097 -1.024203 ESP Fit Center **** is at 5.409142 3.357123 -1.428296 ESP Fit Center **** is at 5.368387 3.783934 -1.428296 ESP Fit Center **** is at 5.247593 4.195319 -1.428296 ESP Fit Center **** is at 5.051127 4.576410 -1.428296 ESP Fit Center **** is at 5.247593 2.518927 -1.428296 ESP Fit Center **** is at 5.368387 2.930312 -1.428296 ESP Fit Center **** is at 5.232341 3.357123 -1.807447 ESP Fit Center **** is at 5.189795 3.775514 -1.807447 ESP Fit Center **** is at 5.063898 4.176776 -1.807447 ESP Fit Center **** is at 4.859805 4.544482 -1.807447 ESP Fit Center **** is at 5.063898 2.537470 -1.807447 ESP Fit Center **** is at 5.189795 2.938732 -1.807447 ESP Fit Center **** is at 4.992387 3.357123 -2.150138 ESP Fit Center **** is at 4.942829 3.781112 -2.150138 ESP Fit Center **** is at 4.796830 4.182243 -2.150138 ESP Fit Center **** is at 4.562258 4.538892 -2.150138 ESP Fit Center **** is at 4.796830 2.532003 -2.150138 ESP Fit Center **** is at 4.942829 2.933134 -2.150138 ESP Fit Center **** is at 4.696570 3.357123 -2.445954 ESP Fit Center **** is at 4.639363 3.773336 -2.445954 ESP Fit Center **** is at 4.471984 4.158680 -2.445954 ESP Fit Center **** is at 4.206848 4.484576 -2.445954 ESP Fit Center **** is at 4.206848 2.229669 -2.445954 ESP Fit Center **** is at 4.471984 2.555566 -2.445954 ESP Fit Center **** is at 4.639363 2.940910 -2.445954 ESP Fit Center **** is at 4.353880 3.357123 -2.685908 ESP Fit Center **** is at 4.281511 3.767547 -2.685908 ESP Fit Center **** is at 4.073133 4.128468 -2.685908 ESP Fit Center **** is at 3.753880 4.396353 -2.685908 ESP Fit Center **** is at 2.945502 2.175354 -2.685908 ESP Fit Center **** is at 3.362258 2.175354 -2.685908 ESP Fit Center **** is at 3.753880 2.317892 -2.685908 ESP Fit Center **** is at 4.073133 2.585778 -2.685908 ESP Fit Center **** is at 4.281511 2.946699 -2.685908 ESP Fit Center **** is at 3.974728 3.357123 -2.862710 ESP Fit Center **** is at 3.864755 3.767547 -2.862710 ESP Fit Center **** is at 3.564304 4.067998 -2.862710 ESP Fit Center **** is at 3.153880 4.177971 -2.862710 ESP Fit Center **** is at 2.333032 3.357123 -2.862710 ESP Fit Center **** is at 2.443004 2.946699 -2.862710 ESP Fit Center **** is at 2.743456 2.646247 -2.862710 ESP Fit Center **** is at 3.153880 2.536275 -2.862710 ESP Fit Center **** is at 3.564304 2.646247 -2.862710 ESP Fit Center **** is at 3.864755 2.946699 -2.862710 ESP Fit Center **** is at 3.570636 3.357123 -2.970986 ESP Fit Center **** is at 3.362258 3.718044 -2.970986 ESP Fit Center **** is at 2.945502 3.718044 -2.970986 ESP Fit Center **** is at 2.737124 3.357123 -2.970986 ESP Fit Center **** is at 2.945502 2.996202 -2.970986 ESP Fit Center **** is at 3.362258 2.996202 -2.970986 ESP Fit Center **** is at 3.153880 3.357123 -3.007447 ESP Fit Center **** is at 2.862342 3.696870 3.512266 ESP Fit Center **** is at 3.279098 3.696870 3.475804 ESP Fit Center **** is at 3.070720 4.057791 3.475804 ESP Fit Center **** is at 2.653965 4.057791 3.475804 ESP Fit Center **** is at 2.445587 3.696870 3.475804 ESP Fit Center **** is at 2.653965 3.335949 3.475804 ESP Fit Center **** is at 3.070720 3.335949 3.475804 ESP Fit Center **** is at 3.683191 3.696870 3.367528 ESP Fit Center **** is at 3.573218 4.107295 3.367528 ESP Fit Center **** is at 3.272767 4.407746 3.367528 ESP Fit Center **** is at 2.862342 4.517719 3.367528 ESP Fit Center **** is at 2.451918 4.407746 3.367528 ESP Fit Center **** is at 2.151467 4.107295 3.367528 ESP Fit Center **** is at 2.041494 3.696870 3.367528 ESP Fit Center **** is at 2.151467 3.286446 3.367528 ESP Fit Center **** is at 2.451918 2.985995 3.367528 ESP Fit Center **** is at 2.862342 2.876022 3.367528 ESP Fit Center **** is at 3.272767 2.985995 3.367528 ESP Fit Center **** is at 3.573218 3.286446 3.367528 ESP Fit Center **** is at 4.062342 3.696870 3.190727 ESP Fit Center **** is at 3.989974 4.107295 3.190727 ESP Fit Center **** is at 3.781596 4.468216 3.190727 ESP Fit Center **** is at 3.462342 4.736101 3.190727 ESP Fit Center **** is at 3.070720 4.878640 3.190727 ESP Fit Center **** is at 2.653965 4.878640 3.190727 ESP Fit Center **** is at 2.262342 4.736101 3.190727 ESP Fit Center **** is at 1.943089 4.468216 3.190727 ESP Fit Center **** is at 1.734711 4.107295 3.190727 ESP Fit Center **** is at 1.662342 3.696870 3.190727 ESP Fit Center **** is at 1.734711 3.286446 3.190727 ESP Fit Center **** is at 1.943089 2.925525 3.190727 ESP Fit Center **** is at 2.262342 2.657640 3.190727 ESP Fit Center **** is at 2.653965 2.515101 3.190727 ESP Fit Center **** is at 3.070720 2.515101 3.190727 ESP Fit Center **** is at 3.462342 2.657640 3.190727 ESP Fit Center **** is at 3.781596 2.925525 3.190727 ESP Fit Center **** is at 3.989974 3.286446 3.190727 ESP Fit Center **** is at 4.405033 3.696870 2.950772 ESP Fit Center **** is at 4.347826 4.113083 2.950772 ESP Fit Center **** is at 4.180447 4.498427 2.950772 ESP Fit Center **** is at 3.915311 4.824324 2.950772 ESP Fit Center **** is at 3.572080 5.066602 2.950772 ESP Fit Center **** is at 3.176212 5.207294 2.950772 ESP Fit Center **** is at 2.757066 5.235964 2.950772 ESP Fit Center **** is at 2.345727 5.150487 2.950772 ESP Fit Center **** is at 1.972703 4.957202 2.950772 ESP Fit Center **** is at 1.665660 4.670444 2.950772 ESP Fit Center **** is at 1.447370 4.311480 2.950772 ESP Fit Center **** is at 1.334021 3.906933 2.950772 ESP Fit Center **** is at 1.334021 3.486807 2.950772 ESP Fit Center **** is at 1.447370 3.082261 2.950772 ESP Fit Center **** is at 1.665660 2.723297 2.950772 ESP Fit Center **** is at 1.972703 2.436539 2.950772 ESP Fit Center **** is at 2.345727 2.243254 2.950772 ESP Fit Center **** is at 2.757066 2.157776 2.950772 ESP Fit Center **** is at 3.176212 2.186447 2.950772 ESP Fit Center **** is at 3.572080 2.327139 2.950772 ESP Fit Center **** is at 3.915311 2.569417 2.950772 ESP Fit Center **** is at 4.180447 2.895313 2.950772 ESP Fit Center **** is at 4.347826 3.280658 2.950772 ESP Fit Center **** is at 4.700849 3.696870 2.654956 ESP Fit Center **** is at 4.651292 4.120859 2.654956 ESP Fit Center **** is at 4.505292 4.521991 2.654956 ESP Fit Center **** is at 4.270720 4.878640 2.654956 ESP Fit Center **** is at 3.960223 5.171579 2.654956 ESP Fit Center **** is at 3.590538 5.385017 2.654956 ESP Fit Center **** is at 3.181596 5.507446 2.654956 ESP Fit Center **** is at 2.755443 5.532267 2.654956 ESP Fit Center **** is at 3.181596 1.886295 2.654956 ESP Fit Center **** is at 3.590538 2.008724 2.654956 ESP Fit Center **** is at 3.960223 2.222162 2.654956 ESP Fit Center **** is at 4.270720 2.515101 2.654956 ESP Fit Center **** is at 4.505292 2.871750 2.654956 ESP Fit Center **** is at 4.651292 3.272882 2.654956 ESP Fit Center **** is at 4.940803 3.696870 2.312266 ESP Fit Center **** is at 4.898257 4.115262 2.312266 ESP Fit Center **** is at 4.772360 4.516524 2.312266 ESP Fit Center **** is at 4.568267 4.884229 2.312266 ESP Fit Center **** is at 4.294333 5.203324 2.312266 ESP Fit Center **** is at 3.961774 5.460744 2.312266 ESP Fit Center **** is at 3.961774 1.932996 2.312266 ESP Fit Center **** is at 4.294333 2.190417 2.312266 ESP Fit Center **** is at 4.568267 2.509512 2.312266 ESP Fit Center **** is at 4.772360 2.877217 2.312266 ESP Fit Center **** is at 4.898257 3.278479 2.312266 ESP Fit Center **** is at 5.117605 3.696870 1.933114 ESP Fit Center **** is at 5.076849 4.123682 1.933114 ESP Fit Center **** is at 4.956056 4.535067 1.933114 ESP Fit Center **** is at 4.759590 4.916157 1.933114 ESP Fit Center **** is at 4.170523 1.859788 1.933114 ESP Fit Center **** is at 4.494553 2.140561 1.933114 ESP Fit Center **** is at 4.759590 2.477584 1.933114 ESP Fit Center **** is at 4.956056 2.858674 1.933114 ESP Fit Center **** is at 5.076849 3.270059 1.933114 ESP Fit Center **** is at 5.225881 3.696870 1.529021 ESP Fit Center **** is at 5.187898 4.118897 1.529021 ESP Fit Center **** is at 4.642256 2.141807 1.529021 ESP Fit Center **** is at 4.891319 2.484613 1.529021 ESP Fit Center **** is at 5.075170 2.866382 1.529021 ESP Fit Center **** is at 5.187898 3.274844 1.529021 Entering OneElI... OneElI was handed 2147254037 working-precision words. Calculate electrostatic properties NBasis = 370 MinDer = 0 MaxDer = 0 NGrid = 10345 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 21.17 Shift= 11.440108 9.595235 3.605545 Box 1 Number 0 centers from 1 to 128: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.25D+01 NSMCal= 8256 NSMKep= 3145 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs PRISM was handed 178681313 working-precision words and 3145 shell-pairs IPart= 11 NShTot= 2513835 NBatch= 2396 AvBLen= 1049.2 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 10 NShTot= 2544870 NBatch= 2420 AvBLen= 1051.6 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 8 NShTot= 2637975 NBatch= 2589 AvBLen= 1018.9 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 9 NShTot= 2596595 NBatch= 2531 AvBLen= 1025.9 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 7 NShTot= 2669010 NBatch= 2628 AvBLen= 1015.6 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 6 NShTot= 2689700 NBatch= 2647 AvBLen= 1016.1 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 5 NShTot= 2720735 NBatch= 2690 AvBLen= 1011.4 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 4 NShTot= 2782805 NBatch= 2757 AvBLen= 1009.4 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 2803495 NBatch= 2777 AvBLen= 1009.5 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 2834530 NBatch= 2802 AvBLen= 1011.6 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 2855220 NBatch= 2816 AvBLen= 1013.9 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 0 NShTot= 2886255 NBatch= 2866 AvBLen= 1007.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10303 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00143 RRMS= 0.06143: ESP charges: 1 1 C 0.579674 2 C -0.523955 3 O -0.666696 4 N -0.800274 5 C 1.138734 6 C -0.515863 7 N -0.595071 8 C 0.889529 9 N -0.533861 10 C 0.844204 11 N -0.861393 12 C 0.643521 13 N -0.917673 14 H 0.026138 15 H 0.128845 16 H 0.114598 17 N -0.675447 18 H 0.162340 19 H 0.399830 20 C 0.326053 21 H 0.073273 22 C 0.387072 23 H 0.108392 24 N -0.010231 25 C -0.282295 26 C -0.331591 27 H 0.119414 28 H 0.113456 29 H 0.113679 30 H 0.142677 31 H 0.101399 32 H 0.101579 33 N 0.053535 34 H 0.063148 35 C -0.304261 36 C -0.327909 37 H 0.144284 38 H 0.104478 39 H 0.092945 40 H 0.132662 41 H 0.123084 42 H 0.117977 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.605813 2 C -0.118172 3 O -0.266867 4 N -0.800274 5 C 1.138734 6 C -0.515863 7 N -0.595071 8 C 0.889529 9 N -0.533861 10 C 0.844204 11 N -0.861393 12 C 0.716794 13 N -0.917673 17 N -0.675447 20 C 0.389201 22 C 0.495464 24 N -0.010231 25 C 0.064253 26 C 0.014064 33 N 0.053535 35 C 0.037446 36 C 0.045814 Charge= -0.00000 Dipole= 2.1445 8.4224 -1.0096 Tot= 8.7496 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.612550 2 Atom -14.731636 3 Atom -22.308405 4 Atom -18.391341 5 Atom -14.660686 6 Atom -14.745618 7 Atom -18.391889 8 Atom -14.627169 9 Atom -18.282745 10 Atom -14.683278 11 Atom -18.359273 12 Atom -14.660139 13 Atom -18.379068 14 Atom -1.108113 15 Atom -1.110008 16 Atom -1.114550 17 Atom -18.369763 18 Atom -1.119433 19 Atom -0.982507 20 Atom -14.645810 21 Atom -1.099804 22 Atom -14.669745 23 Atom -1.096824 24 Atom -18.314412 25 Atom -14.704390 26 Atom -14.677114 27 Atom -1.109207 28 Atom -1.130983 29 Atom -1.130466 30 Atom -1.092327 31 Atom -1.109447 32 Atom -1.091639 33 Atom -18.290098 34 Atom -1.069435 35 Atom -14.663517 36 Atom -14.681799 37 Atom -1.071505 38 Atom -1.090276 39 Atom -1.087277 40 Atom -1.089175 41 Atom -1.104488 42 Atom -1.108373 43 Fit -0.043786 44 Fit 0.006253 45 Fit 0.001390 46 Fit 0.001173 47 Fit 0.003639 48 Fit 0.003746 49 Fit 0.003605 50 Fit 0.004480 51 Fit 0.003198 52 Fit 0.002546 53 Fit 0.015794 54 Fit 0.005092 55 Fit 0.003627 56 Fit 0.002635 57 Fit 0.001589 58 Fit -0.000032 59 Fit -0.002702 60 Fit 0.011686 61 Fit 0.010169 62 Fit 0.004927 63 Fit 0.003962 64 Fit 0.003258 65 Fit 0.002556 66 Fit 0.007219 67 Fit 0.006515 68 Fit -0.042623 69 Fit -0.031610 70 Fit -0.039271 71 Fit -0.048066 72 Fit -0.050884 73 Fit -0.046321 74 Fit -0.035992 75 Fit -0.017716 76 Fit -0.025386 77 Fit -0.036470 78 Fit -0.046026 79 Fit -0.052117 80 Fit -0.055215 81 Fit -0.056287 82 Fit -0.055023 83 Fit -0.049982 84 Fit -0.040432 85 Fit -0.028306 86 Fit -0.018795 87 Fit -0.010233 88 Fit -0.023576 89 Fit -0.036140 90 Fit -0.045841 91 Fit -0.052082 92 Fit -0.055384 93 Fit -0.057063 94 Fit -0.058223 95 Fit -0.058943 96 Fit -0.058363 97 Fit -0.055051 98 Fit -0.047788 99 Fit -0.036410 100 Fit -0.022137 101 Fit -0.023564 102 Fit -0.036111 103 Fit -0.045471 104 Fit -0.051554 105 Fit -0.054616 106 Fit -0.055597 107 Fit -0.055982 108 Fit -0.056765 109 Fit -0.057968 110 Fit -0.059169 111 Fit -0.059609 112 Fit -0.058013 113 Fit -0.053119 114 Fit -0.044348 115 Fit -0.031792 116 Fit -0.016007 117 Fit -0.012985 118 Fit -0.028099 119 Fit -0.039576 120 Fit -0.047672 121 Fit -0.052404 122 Fit -0.053795 123 Fit -0.052856 124 Fit -0.051825 125 Fit -0.052185 126 Fit -0.053513 127 Fit -0.055127 128 Fit -0.057000 129 Fit -0.058553 130 Fit -0.058043 131 Fit -0.053892 132 Fit -0.045608 133 Fit -0.033302 134 Fit -0.017053 135 Fit -0.018586 136 Fit -0.031562 137 Fit -0.041217 138 Fit -0.047979 139 Fit -0.051466 140 Fit -0.050865 141 Fit -0.047078 142 Fit -0.043920 143 Fit -0.049029 144 Fit -0.051712 145 Fit -0.055098 146 Fit -0.056128 147 Fit -0.052837 148 Fit -0.045210 149 Fit -0.033763 150 Fit -0.018568 151 Fit -0.012568 152 Fit -0.025735 153 Fit -0.035439 154 Fit -0.042812 155 Fit -0.047478 156 Fit -0.046712 157 Fit -0.049631 158 Fit -0.051615 159 Fit -0.047184 160 Fit -0.038079 161 Fit -0.025458 162 Fit -0.009208 163 Fit -0.007995 164 Fit -0.019420 165 Fit -0.039607 166 Fit -0.030280 167 Fit -0.017907 168 Fit -0.002495 169 Fit -0.036408 170 Fit -0.031227 171 Fit -0.027216 172 Fit -0.031029 173 Fit -0.040088 174 Fit -0.044529 175 Fit -0.039255 176 Fit -0.024733 177 Fit -0.020252 178 Fit -0.032360 179 Fit -0.041806 180 Fit -0.049551 181 Fit -0.052362 182 Fit -0.048954 183 Fit -0.040285 184 Fit -0.014193 185 Fit -0.035070 186 Fit -0.046035 187 Fit -0.055251 188 Fit -0.059887 189 Fit -0.059645 190 Fit -0.054178 191 Fit -0.060320 192 Fit -0.066572 193 Fit -0.069063 194 Fit -0.068350 195 Fit -0.060431 196 Fit -0.069999 197 Fit -0.075461 198 Fit -0.079189 199 Fit -0.067203 200 Fit -0.076196 201 Fit -0.082375 202 Fit -0.088748 203 Fit -0.068982 204 Fit -0.078393 205 Fit -0.085296 206 Fit -0.092913 207 Fit -0.075601 208 Fit -0.083204 209 Fit -0.090121 210 Fit -0.071918 211 Fit -0.080386 212 Fit -0.087078 213 Fit -0.094945 214 Fit -0.071670 215 Fit -0.079618 216 Fit -0.085637 217 Fit -0.065763 218 Fit -0.074416 219 Fit -0.079631 220 Fit -0.083768 221 Fit -0.065250 222 Fit -0.071193 223 Fit -0.073637 224 Fit -0.073215 225 Fit -0.020136 226 Fit -0.050550 227 Fit -0.060111 228 Fit -0.064520 229 Fit -0.064016 230 Fit -0.058178 231 Fit -0.028979 232 Fit -0.027651 233 Fit -0.026800 234 Fit -0.027801 235 Fit -0.032102 236 Fit -0.038584 237 Fit -0.046993 238 Fit -0.054460 239 Fit -0.056842 240 Fit -0.052840 241 Fit -0.036249 242 Fit -0.034648 243 Fit -0.038313 244 Fit -0.045696 245 Fit -0.049206 246 Fit -0.043349 247 Fit -0.041915 248 Fit -0.027576 249 Fit -0.025429 250 Fit -0.022951 251 Fit -0.025734 252 Fit -0.032305 253 Fit -0.034475 254 Fit -0.030288 255 Fit -0.019962 256 Fit -0.019253 257 Fit -0.040460 258 Fit -0.043352 259 Fit -0.044191 260 Fit -0.032968 261 Fit -0.027196 262 Fit -0.013807 263 Fit -0.054845 264 Fit -0.019460 265 Fit -0.022408 266 Fit -0.020849 267 Fit -0.022392 268 Fit -0.028816 269 Fit -0.043146 270 Fit -0.045934 271 Fit -0.025113 272 Fit -0.024665 273 Fit -0.023492 274 Fit -0.027623 275 Fit -0.034164 276 Fit -0.035857 277 Fit -0.030303 278 Fit -0.028299 279 Fit -0.025829 280 Fit -0.026225 281 Fit -0.025657 282 Fit -0.024449 283 Fit -0.023846 284 Fit -0.025868 285 Fit -0.027133 286 Fit -0.023517 287 Fit -0.023508 288 Fit -0.020175 289 Fit -0.020501 290 Fit -0.025274 291 Fit -0.026573 292 Fit -0.014698 293 Fit -0.019510 294 Fit -0.013803 295 Fit -0.022662 296 Fit -0.020994 297 Fit -0.022371 298 Fit -0.021397 299 Fit -0.018417 300 Fit -0.019561 301 Fit -0.021370 302 Fit -0.021658 303 Fit -0.022012 304 Fit -0.020695 305 Fit -0.020928 306 Fit -0.025758 307 Fit -0.024009 308 Fit -0.023026 309 Fit -0.023520 310 Fit -0.025032 311 Fit -0.026468 312 Fit -0.025819 313 Fit -0.017718 314 Fit -0.017537 315 Fit -0.018717 316 Fit -0.019983 317 Fit -0.021511 318 Fit -0.023615 319 Fit -0.023950 320 Fit -0.009010 321 Fit -0.007769 322 Fit -0.009510 323 Fit -0.011406 324 Fit -0.012060 325 Fit -0.013094 326 Fit -0.015722 327 Fit 0.001225 328 Fit -0.006973 329 Fit -0.011179 330 Fit -0.012984 331 Fit -0.002449 332 Fit -0.007673 333 Fit -0.013713 334 Fit -0.017998 335 Fit -0.020371 336 Fit -0.021593 337 Fit -0.010164 338 Fit -0.013035 339 Fit -0.017526 340 Fit -0.021390 341 Fit -0.023381 342 Fit -0.023721 343 Fit -0.014371 344 Fit -0.015088 345 Fit -0.016357 346 Fit -0.020134 347 Fit -0.022953 348 Fit -0.022219 349 Fit -0.018099 350 Fit -0.020164 351 Fit -0.019165 352 Fit -0.022891 353 Fit -0.018973 354 Fit -0.016479 355 Fit -0.019255 356 Fit -0.020499 357 Fit -0.023298 358 Fit -0.029222 359 Fit -0.026121 360 Fit -0.013133 361 Fit -0.020912 362 Fit -0.023943 363 Fit -0.032136 364 Fit -0.036147 365 Fit -0.008015 366 Fit 0.000243 367 Fit 0.001411 368 Fit -0.002894 369 Fit -0.002576 370 Fit -0.007095 371 Fit 0.000034 372 Fit -0.001515 373 Fit -0.003234 374 Fit -0.006776 375 Fit -0.004753 376 Fit -0.001497 377 Fit -0.002167 378 Fit -0.045701 379 Fit -0.034832 380 Fit -0.033899 381 Fit -0.041243 382 Fit -0.025240 383 Fit -0.046114 384 Fit -0.044394 385 Fit 0.000290 386 Fit -0.005317 387 Fit -0.008009 388 Fit -0.005603 389 Fit 0.000392 390 Fit 0.001410 391 Fit -0.000754 392 Fit -0.004470 393 Fit -0.007300 394 Fit -0.007183 395 Fit -0.002838 396 Fit -0.004613 397 Fit -0.029464 398 Fit -0.032881 399 Fit -0.029264 400 Fit -0.027040 401 Fit -0.028053 402 Fit -0.029785 403 Fit -0.032316 404 Fit -0.038865 405 Fit -0.023627 406 Fit -0.027405 407 Fit -0.029993 408 Fit -0.036498 409 Fit -0.037488 410 Fit -0.024153 411 Fit -0.042544 412 Fit -0.019443 413 Fit -0.008012 414 Fit -0.008093 415 Fit -0.009941 416 Fit -0.020307 417 Fit -0.012837 418 Fit -0.011482 419 Fit -0.011139 420 Fit -0.014606 421 Fit -0.017840 422 Fit -0.018402 423 Fit -0.016035 424 Fit -0.014639 425 Fit -0.038715 426 Fit -0.042836 427 Fit -0.038277 428 Fit -0.034493 429 Fit -0.034627 430 Fit -0.037593 431 Fit -0.042025 432 Fit -0.046911 433 Fit -0.042757 434 Fit -0.029445 435 Fit -0.039103 436 Fit -0.044310 437 Fit -0.047322 438 Fit -0.050264 439 Fit -0.046467 440 Fit -0.023972 441 Fit -0.037876 442 Fit -0.044633 443 Fit -0.049327 444 Fit -0.051112 445 Fit -0.051310 446 Fit -0.047441 447 Fit -0.035280 448 Fit -0.043671 449 Fit -0.049755 450 Fit -0.052786 451 Fit -0.052998 452 Fit -0.047762 453 Fit -0.039946 454 Fit -0.048077 455 Fit -0.052789 456 Fit -0.053909 457 Fit -0.051940 458 Fit -0.032393 459 Fit -0.043482 460 Fit -0.050694 461 Fit -0.053798 462 Fit -0.052688 463 Fit -0.047526 464 Fit -0.034842 465 Fit -0.045423 466 Fit -0.051575 467 Fit -0.053116 468 Fit -0.049668 469 Fit -0.035860 470 Fit -0.045743 471 Fit -0.051005 472 Fit -0.051347 473 Fit -0.045980 474 Fit -0.033121 475 Fit -0.043437 476 Fit -0.048998 477 Fit -0.049406 478 Fit -0.043668 479 Fit -0.029147 480 Fit -0.039817 481 Fit -0.046043 482 Fit -0.047284 483 Fit -0.042659 484 Fit -0.035067 485 Fit -0.042070 486 Fit -0.044659 487 Fit -0.041981 488 Fit -0.033372 489 Fit -0.025299 490 Fit -0.029744 491 Fit -0.037064 492 Fit -0.041145 493 Fit -0.040653 494 Fit -0.035080 495 Fit -0.028195 496 Fit -0.019834 497 Fit -0.020392 498 Fit -0.031375 499 Fit -0.036486 500 Fit -0.038264 501 Fit -0.035294 502 Fit -0.029248 503 Fit -0.023055 504 Fit -0.019341 505 Fit -0.021545 506 Fit -0.023606 507 Fit -0.031719 508 Fit -0.034732 509 Fit -0.034118 510 Fit -0.029255 511 Fit -0.025034 512 Fit -0.025049 513 Fit -0.027291 514 Fit -0.029827 515 Fit -0.031866 516 Fit -0.028575 517 Fit -0.028054 518 Fit -0.030227 519 Fit -0.029982 520 Fit -0.029921 521 Fit -0.029951 522 Fit -0.025831 523 Fit -0.026029 524 Fit -0.028388 525 Fit -0.031461 526 Fit -0.036428 527 Fit -0.030098 528 Fit -0.023479 529 Fit -0.020906 530 Fit -0.023615 531 Fit -0.030257 532 Fit -0.033169 533 Fit -0.023311 534 Fit -0.017228 535 Fit -0.015833 536 Fit -0.019392 537 Fit -0.027336 538 Fit -0.036983 539 Fit -0.023970 540 Fit -0.022322 541 Fit -0.030637 542 Fit -0.026937 543 Fit -0.028548 544 Fit -0.022681 545 Fit -0.034405 546 Fit -0.021508 547 Fit -0.017806 548 Fit -0.030294 549 Fit -0.020462 550 Fit -0.014139 551 Fit -0.012279 552 Fit -0.015153 553 Fit -0.022077 554 Fit -0.024517 555 Fit -0.028526 556 Fit -0.033276 557 Fit -0.026875 558 Fit -0.020125 559 Fit -0.017102 560 Fit -0.018989 561 Fit -0.024511 562 Fit -0.024700 563 Fit -0.024956 564 Fit -0.025982 565 Fit -0.026275 566 Fit -0.021933 567 Fit -0.021344 568 Fit -0.023572 569 Fit -0.044240 570 Fit -0.038149 571 Fit -0.038376 572 Fit -0.044212 573 Fit -0.050683 574 Fit -0.049024 575 Fit -0.042233 576 Fit -0.032232 577 Fit -0.031241 578 Fit -0.051972 579 Fit -0.057614 580 Fit -0.057822 581 Fit -0.052992 582 Fit -0.045132 583 Fit -0.037783 584 Fit -0.024967 585 Fit -0.063400 586 Fit -0.065805 587 Fit -0.064316 588 Fit -0.058896 589 Fit -0.050216 590 Fit -0.040070 591 Fit -0.071030 592 Fit -0.073028 593 Fit -0.072932 594 Fit -0.070328 595 Fit -0.064589 596 Fit -0.055702 597 Fit -0.044392 598 Fit -0.081043 599 Fit -0.079675 600 Fit -0.077181 601 Fit -0.072280 602 Fit -0.064359 603 Fit -0.053397 604 Fit -0.039769 605 Fit -0.086617 606 Fit -0.084031 607 Fit -0.080572 608 Fit -0.074801 609 Fit -0.066044 610 Fit -0.054079 611 Fit -0.038764 612 Fit -0.090993 613 Fit -0.087612 614 Fit -0.084099 615 Fit -0.078666 616 Fit -0.070423 617 Fit -0.058941 618 Fit -0.043813 619 Fit -0.095586 620 Fit -0.090618 621 Fit -0.087319 622 Fit -0.083090 623 Fit -0.076587 624 Fit -0.067137 625 Fit -0.054330 626 Fit -0.037401 627 Fit -0.091171 628 Fit -0.087724 629 Fit -0.084110 630 Fit -0.078559 631 Fit -0.070178 632 Fit -0.058519 633 Fit -0.043121 634 Fit -0.091150 635 Fit -0.086948 636 Fit -0.084203 637 Fit -0.080534 638 Fit -0.074521 639 Fit -0.065478 640 Fit -0.053142 641 Fit -0.037264 642 Fit -0.081571 643 Fit -0.079958 644 Fit -0.077154 645 Fit -0.071903 646 Fit -0.063577 647 Fit -0.052111 648 Fit -0.037800 649 Fit -0.072057 650 Fit -0.073608 651 Fit -0.073101 652 Fit -0.070056 653 Fit -0.063827 654 Fit -0.054370 655 Fit -0.042363 656 Fit -0.058052 657 Fit -0.064166 658 Fit -0.065967 659 Fit -0.063901 660 Fit -0.057858 661 Fit -0.048472 662 Fit -0.037522 663 Fit -0.029372 664 Fit -0.029254 665 Fit -0.030790 666 Fit -0.043709 667 Fit -0.052814 668 Fit -0.057722 669 Fit -0.057229 670 Fit -0.051660 671 Fit -0.043017 672 Fit -0.034957 673 Fit -0.036100 674 Fit -0.037466 675 Fit -0.044178 676 Fit -0.050223 677 Fit -0.047699 678 Fit -0.040144 679 Fit -0.043034 680 Fit -0.031490 681 Fit -0.018339 682 Fit -0.006342 683 Fit 0.006941 684 Fit -0.030666 685 Fit -0.015434 686 Fit -0.003811 687 Fit 0.006673 688 Fit 0.018457 689 Fit -0.033607 690 Fit -0.016523 691 Fit -0.004787 692 Fit 0.004338 693 Fit 0.012611 694 Fit 0.021334 695 Fit 0.031514 696 Fit 0.033088 697 Fit -0.024626 698 Fit -0.010352 699 Fit -0.000441 700 Fit 0.007179 701 Fit 0.013735 702 Fit 0.019994 703 Fit 0.026378 704 Fit 0.025655 705 Fit -0.022785 706 Fit -0.009451 707 Fit -0.000029 708 Fit 0.006997 709 Fit 0.012620 710 Fit 0.017426 711 Fit 0.021689 712 Fit 0.020031 713 Fit -0.024792 714 Fit -0.012837 715 Fit -0.002952 716 Fit 0.004502 717 Fit 0.010135 718 Fit 0.014461 719 Fit 0.017719 720 Fit 0.016017 721 Fit -0.007001 722 Fit -0.014619 723 Fit -0.013594 724 Fit -0.006799 725 Fit 0.000667 726 Fit 0.006809 727 Fit 0.011369 728 Fit 0.014424 729 Fit 0.013261 730 Fit 0.001170 731 Fit -0.003417 732 Fit -0.002475 733 Fit 0.002469 734 Fit 0.007671 735 Fit 0.011389 736 Fit 0.011023 737 Fit 0.012736 738 Fit 0.010794 739 Fit 0.005198 740 Fit 0.003854 741 Fit 0.007778 742 Fit 0.008506 743 Fit 0.029704 744 Fit 0.018412 745 Fit 0.009126 746 Fit 0.024811 747 Fit 0.018039 748 Fit 0.011703 749 Fit 0.005800 750 Fit 0.032719 751 Fit 0.021591 752 Fit 0.017220 753 Fit 0.012749 754 Fit 0.008216 755 Fit 0.004264 756 Fit 0.042391 757 Fit 0.036227 758 Fit 0.030806 759 Fit 0.026027 760 Fit 0.019318 761 Fit 0.016298 762 Fit 0.012997 763 Fit 0.009481 764 Fit 0.006040 765 Fit 0.035580 766 Fit 0.031962 767 Fit 0.029433 768 Fit 0.027049 769 Fit 0.024624 770 Fit 0.022073 771 Fit 0.017396 772 Fit 0.015102 773 Fit 0.012449 774 Fit 0.009533 775 Fit 0.006595 776 Fit 0.025479 777 Fit 0.023792 778 Fit 0.022879 779 Fit 0.021971 780 Fit 0.020810 781 Fit 0.019298 782 Fit 0.015459 783 Fit 0.013571 784 Fit 0.011271 785 Fit 0.008705 786 Fit 0.006172 787 Fit 0.019364 788 Fit 0.018441 789 Fit 0.018321 790 Fit 0.018211 791 Fit 0.017770 792 Fit 0.016865 793 Fit 0.013319 794 Fit 0.011639 795 Fit 0.009488 796 Fit 0.007137 797 Fit 0.013908 798 Fit 0.014212 799 Fit 0.014693 800 Fit 0.014832 801 Fit 0.014396 802 Fit 0.010922 803 Fit 0.009381 804 Fit 0.007350 805 Fit 0.005414 806 Fit 0.010006 807 Fit 0.010938 808 Fit 0.011655 809 Fit 0.011701 810 Fit 0.008362 811 Fit 0.006924 812 Fit 0.007031 813 Fit 0.008129 814 Fit 0.008790 815 Fit 0.006032 816 Fit 0.005929 817 Fit -0.012171 818 Fit -0.011744 819 Fit -0.005586 820 Fit 0.001415 821 Fit 0.002190 822 Fit 0.000853 823 Fit -0.000960 824 Fit -0.002999 825 Fit -0.004096 826 Fit -0.002983 827 Fit -0.000202 828 Fit 0.001890 829 Fit 0.002057 830 Fit 0.001757 831 Fit 0.002893 832 Fit 0.005278 833 Fit 0.007539 834 Fit 0.009028 835 Fit 0.009516 836 Fit 0.008942 837 Fit 0.004861 838 Fit 0.004659 839 Fit 0.004429 840 Fit 0.004081 841 Fit 0.003545 842 Fit 0.002784 843 Fit 0.001941 844 Fit 0.001547 845 Fit 0.002072 846 Fit 0.003106 847 Fit 0.003732 848 Fit 0.003853 849 Fit 0.004201 850 Fit 0.005123 851 Fit 0.006240 852 Fit 0.007082 853 Fit 0.007337 854 Fit 0.006937 855 Fit 0.006171 856 Fit 0.005489 857 Fit 0.005096 858 Fit 0.005843 859 Fit 0.005775 860 Fit 0.005718 861 Fit 0.005577 862 Fit 0.005317 863 Fit 0.005051 864 Fit 0.005048 865 Fit 0.005360 866 Fit 0.005644 867 Fit 0.005769 868 Fit 0.006022 869 Fit 0.006512 870 Fit 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**** Fit 0.016157 **** Fit 0.016858 **** Fit 0.017262 **** Fit 0.017135 **** Fit 0.016492 **** Fit 0.015933 **** Fit 0.016610 **** Fit 0.017018 **** Fit 0.018303 **** Fit 0.019762 **** Fit 0.021365 **** Fit 0.015761 **** Fit 0.016773 **** Fit 0.017952 **** Fit 0.019318 **** Fit 0.020912 **** Fit 0.022777 **** Fit 0.015671 **** Fit 0.016581 **** Fit 0.017634 **** Fit 0.018846 **** Fit 0.020258 **** Fit 0.021946 **** Fit 0.024015 **** Fit 0.015752 **** Fit 0.016642 **** Fit 0.017668 **** Fit 0.018845 **** Fit 0.020214 **** Fit 0.021859 **** Fit 0.023917 **** Fit 0.015080 **** Fit 0.015797 **** Fit 0.016650 **** Fit 0.017631 **** Fit 0.018747 **** Fit 0.020033 **** Fit 0.021561 **** Fit 0.023457 **** Fit 0.025943 **** Fit 0.015146 **** Fit 0.015857 **** Fit 0.016700 **** Fit 0.017663 **** Fit 0.018753 **** Fit 0.020001 **** Fit 0.021472 **** Fit 0.023282 **** Fit 0.025637 **** Fit 0.015233 **** Fit 0.015989 **** Fit 0.016879 **** Fit 0.017891 **** Fit 0.019036 **** Fit 0.020353 **** Fit 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**** Fit 0.012281 **** Fit 0.007153 **** Fit 0.008365 **** Fit 0.009418 **** Fit 0.010313 **** Fit 0.011174 **** Fit 0.012088 **** Fit 0.007120 **** Fit 0.008393 **** Fit 0.009344 **** Fit 0.010265 **** Fit 0.011121 **** Fit 0.012007 **** Fit 0.006835 **** Fit 0.008247 **** Fit 0.009190 **** Fit 0.010138 **** Fit 0.010988 **** Fit 0.011835 **** Fit 0.004586 **** Fit 0.006531 **** Fit 0.008030 **** Fit 0.008973 **** Fit 0.009980 **** Fit 0.010845 **** Fit 0.011642 **** Fit 0.001054 **** Fit 0.002311 **** Fit 0.004217 **** Fit 0.006116 **** Fit 0.007714 **** Fit 0.008719 **** Fit 0.009830 **** Fit 0.010664 **** Fit 0.011161 **** Fit 0.008087 **** Fit 0.005932 **** Fit 0.004361 **** Fit 0.004348 **** Fit 0.005638 **** Fit 0.007285 **** Fit 0.008459 **** Fit 0.009561 **** Fit 0.009555 **** Fit 0.008096 **** Fit 0.006563 **** Fit 0.006955 **** Fit 0.008234 **** Fit 0.005918 **** Fit 0.005659 **** Fit 0.007457 **** Fit 0.007870 **** Fit 0.006386 **** Fit 0.004052 **** Fit 0.003752 **** Fit 0.005563 **** Fit 0.007404 **** Fit 0.008741 **** Fit 0.009548 **** Fit 0.009698 **** Fit 0.008947 **** Fit 0.007123 **** Fit 0.004435 **** Fit 0.001785 **** Fit 0.000532 **** Fit 0.001296 **** Fit 0.003339 **** Fit 0.005596 **** Fit 0.007348 **** Fit 0.008739 **** Fit 0.009843 **** Fit 0.010701 **** Fit 0.011290 **** Fit 0.011504 **** Fit 0.011168 **** Fit 0.010103 **** Fit 0.008196 **** Fit 0.005466 **** Fit 0.002179 **** Fit -0.000964 **** Fit -0.002947 **** Fit -0.003078 **** Fit -0.001516 **** Fit 0.000922 **** Fit 0.003428 **** Fit 0.005736 **** Fit 0.007443 **** Fit 0.008831 **** Fit 0.009993 **** Fit 0.010997 **** Fit 0.011881 **** Fit 0.012636 **** Fit 0.013201 **** Fit 0.013451 **** Fit 0.013225 **** Fit 0.012367 **** Fit 0.010767 **** Fit 0.008373 **** Fit 0.005155 **** Fit 0.001183 **** Fit -0.003020 **** Fit -0.006426 **** Fit -0.008044 **** Fit -0.007493 **** Fit -0.005200 **** Fit -0.002102 **** Fit 0.000967 **** Fit 0.003602 **** Fit 0.005967 **** Fit 0.007651 **** Fit 0.009040 **** Fit 0.010233 **** Fit 0.011305 **** Fit 0.012309 **** Fit 0.013270 **** Fit 0.014183 **** Fit -0.013371 **** Fit -0.010253 **** Fit -0.006168 **** Fit -0.002182 **** Fit 0.001185 **** Fit 0.003862 **** Fit 0.006289 **** Fit 0.007915 **** Fit 0.009285 **** Fit 0.010491 **** Fit 0.011605 **** Fit 0.012683 **** Fit -0.011033 **** Fit -0.005878 **** Fit -0.001608 **** Fit 0.001718 **** Fit 0.004280 **** Fit 0.006709 **** Fit 0.008352 **** Fit 0.009763 **** Fit 0.011036 **** Fit -0.011803 **** Fit -0.005797 **** Fit -0.001241 **** Fit 0.002144 **** Fit 0.004703 **** Fit 0.007254 **** Fit 0.008895 **** Fit -0.004790 **** Fit -0.000388 **** Fit 0.002840 **** Fit 0.005296 ----------------------------------------------------------------- Leave Link 602 at Fri May 3 23:54:32 2024, MaxMem= 2147483648 cpu: 6.0 elap: 0.5 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.016038318 -0.021376753 0.000569383 2 6 -0.003237275 0.006955821 -0.004401673 3 8 0.039014828 -0.011731521 0.020731999 4 7 0.032440961 0.010654241 -0.000773028 5 6 -0.036616375 -0.020280316 0.008495670 6 6 -0.080887437 0.010235134 -0.009032107 7 7 -0.011454029 0.017869827 -0.010707744 8 6 0.020851302 0.019094566 -0.012659202 9 7 0.009455393 -0.030121165 0.020008805 10 6 0.085893056 0.028461391 -0.013993009 11 7 0.027118256 -0.013246064 0.009219269 12 6 -0.097443896 -0.027271286 0.008928980 13 7 0.073081788 0.027962023 -0.011960308 14 1 -0.020469602 -0.007185729 -0.002554691 15 1 -0.008885125 0.006432875 -0.001820400 16 1 0.003663640 -0.008866078 -0.005620326 17 7 0.032565843 -0.015992968 0.007531307 18 1 0.011525201 0.009293653 0.002462207 19 1 -0.053872443 0.033158627 -0.011455472 20 6 -0.006861265 -0.037597955 0.020037478 21 1 -0.004780999 0.005609469 -0.002677493 22 6 -0.000058267 0.042613857 -0.019969471 23 1 -0.005724436 -0.031396179 0.010775173 24 7 0.008391855 -0.018242556 -0.000558359 25 6 0.004963646 0.018723054 -0.005202657 26 6 -0.003927301 0.002318798 0.010136235 27 1 0.014942275 -0.001466119 0.002161692 28 1 -0.008518012 0.003233737 0.008077436 29 1 -0.008332265 -0.004309302 -0.009624867 30 1 0.012949002 -0.007773898 0.008050162 31 1 -0.003052373 -0.005966686 -0.009870187 32 1 -0.008530582 0.009576989 -0.001038074 33 7 -0.003527338 0.003206295 0.005284825 34 1 -0.023609524 0.010868423 -0.003313923 35 6 -0.013177162 0.008395445 -0.007976597 36 6 0.014995193 -0.012753052 0.001565641 37 1 0.005720332 0.016862201 -0.008730287 38 1 -0.004097486 -0.004488120 0.011869542 39 1 -0.002761453 -0.012828903 -0.001918148 40 1 0.010284329 0.008855320 -0.005945959 41 1 -0.011558359 -0.007453592 -0.005544103 42 1 -0.002512215 -0.000033504 0.011442282 ------------------------------------------------------------------- Cartesian Forces: Max 0.097443896 RMS 0.021466910 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.089353048 RMS 0.017828783 Search for a local minimum. Step number 1 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00230 0.00930 0.01105 0.01185 0.01196 Eigenvalues --- 0.01200 0.01212 0.01264 0.01468 0.01495 Eigenvalues --- 0.01548 0.01754 0.02027 0.02160 0.02209 Eigenvalues --- 0.02271 0.02321 0.02328 0.02340 0.02593 Eigenvalues --- 0.02605 0.02661 0.02689 0.02829 0.02891 Eigenvalues --- 0.03295 0.03480 0.04880 0.05492 0.05679 Eigenvalues --- 0.05723 0.07607 0.07623 0.07639 0.07640 Eigenvalues --- 0.07828 0.07903 0.07932 0.07994 0.08147 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.17607 Eigenvalues --- 0.19686 0.22000 0.22000 0.23246 0.24984 Eigenvalues --- 0.24988 0.24994 0.24996 0.24997 0.24997 Eigenvalues --- 0.24998 0.24999 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.27662 0.32719 0.33103 Eigenvalues --- 0.33258 0.33387 0.33470 0.33519 0.33593 Eigenvalues --- 0.33595 0.33609 0.33634 0.33669 0.33672 Eigenvalues --- 0.33698 0.33770 0.33802 0.33904 0.36460 Eigenvalues --- 0.37264 0.37415 0.38991 0.39821 0.39937 Eigenvalues --- 0.39978 0.40104 0.40472 0.40659 0.41245 Eigenvalues --- 0.42506 0.42889 0.44702 0.47563 0.51050 Eigenvalues --- 0.51714 0.53715 0.54619 0.59278 0.60302 Eigenvalues --- 0.67980 0.72004 0.72902 0.73446 0.77993 RFO step: Lambda=-1.37667010D-01 EMin= 2.30000000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.537 Iteration 1 RMS(Cart)= 0.33141787 RMS(Int)= 0.00916188 Iteration 2 RMS(Cart)= 0.12314893 RMS(Int)= 0.00104399 Iteration 3 RMS(Cart)= 0.00301244 RMS(Int)= 0.00005551 Iteration 4 RMS(Cart)= 0.00000143 RMS(Int)= 0.00005551 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005551 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.92884 -0.01529 0.00000 -0.01983 -0.01983 2.90901 R2 2.71639 -0.02438 0.00000 -0.02439 -0.02439 2.69199 R3 2.75450 -0.01730 0.00000 -0.01821 -0.01821 2.73629 R4 2.09547 -0.02014 0.00000 -0.02327 -0.02327 2.07220 R5 2.08023 -0.01098 0.00000 -0.01245 -0.01245 2.06778 R6 2.07892 -0.01068 0.00000 -0.01210 -0.01210 2.06683 R7 2.07493 -0.01493 0.00000 -0.01683 -0.01683 2.05810 R8 1.92324 -0.06409 0.00000 -0.05889 -0.05889 1.86434 R9 2.71583 -0.02925 0.00000 -0.02924 -0.02924 2.68659 R10 2.41656 -0.00860 0.00000 -0.00530 -0.00530 2.41126 R11 2.68257 0.02216 0.00000 0.02532 0.02528 2.70785 R12 2.41373 0.01847 0.00000 0.01107 0.01104 2.42478 R13 2.56994 0.02313 0.00000 0.02188 0.02193 2.59187 R14 2.44353 0.07515 0.00000 0.05425 0.05427 2.49780 R15 2.40339 0.05103 0.00000 0.02981 0.02981 2.43319 R16 2.63806 -0.00810 0.00000 -0.01162 -0.01167 2.62638 R17 2.56292 0.04724 0.00000 0.03761 0.03761 2.60054 R18 2.58681 0.00323 0.00000 0.00146 0.00143 2.58824 R19 2.57149 -0.02505 0.00000 -0.01985 -0.01982 2.55167 R20 2.43450 -0.00910 0.00000 -0.00852 -0.00848 2.42602 R21 2.74829 -0.06745 0.00000 -0.07528 -0.07527 2.67302 R22 2.01926 0.00082 0.00000 0.00086 0.00086 2.02012 R23 2.39016 0.03597 0.00000 0.02106 0.02106 2.41122 R24 2.51516 0.00383 0.00000 0.00282 0.00282 2.51797 R25 1.97617 0.02060 0.00000 0.02041 0.02041 1.99658 R26 1.94984 0.03095 0.00000 0.02956 0.02956 1.97940 R27 2.55473 -0.00975 0.00000 -0.00766 -0.00766 2.54706 R28 2.70668 0.01544 0.00000 0.01524 0.01524 2.72192 R29 2.72948 0.00455 0.00000 0.00463 0.00463 2.73411 R30 2.08233 -0.01515 0.00000 -0.01723 -0.01723 2.06510 R31 2.07666 -0.01062 0.00000 -0.01199 -0.01199 2.06467 R32 2.07953 -0.01186 0.00000 -0.01344 -0.01344 2.06609 R33 2.08600 -0.01619 0.00000 -0.01850 -0.01850 2.06750 R34 2.08377 -0.00915 0.00000 -0.01042 -0.01042 2.07335 R35 2.07720 -0.01185 0.00000 -0.01340 -0.01340 2.06381 R36 2.71798 0.01476 0.00000 0.01480 0.01480 2.73278 R37 2.71413 0.01499 0.00000 0.01495 0.01495 2.72908 R38 2.08872 -0.01969 0.00000 -0.02257 -0.02257 2.06614 R39 2.08150 -0.01013 0.00000 -0.01151 -0.01151 2.06999 R40 2.08019 -0.01093 0.00000 -0.01240 -0.01240 2.06779 R41 2.07887 -0.01475 0.00000 -0.01671 -0.01671 2.06216 R42 2.07994 -0.01405 0.00000 -0.01594 -0.01594 2.06401 R43 2.07843 -0.00980 0.00000 -0.01110 -0.01110 2.06733 A1 1.89373 0.00711 0.00000 0.01507 0.01510 1.90884 A2 1.95643 0.00905 0.00000 0.01484 0.01490 1.97133 A3 1.92742 -0.00288 0.00000 -0.00306 -0.00304 1.92438 A4 1.89449 -0.01041 0.00000 -0.01702 -0.01718 1.87730 A5 1.88755 0.00296 0.00000 0.00604 0.00586 1.89341 A6 1.90269 -0.00607 0.00000 -0.01615 -0.01617 1.88652 A7 1.90750 -0.00146 0.00000 -0.00310 -0.00309 1.90441 A8 1.91396 0.00406 0.00000 0.00744 0.00743 1.92139 A9 1.91436 0.00159 0.00000 0.00323 0.00322 1.91757 A10 1.90915 -0.00225 0.00000 -0.00480 -0.00479 1.90436 A11 1.90930 -0.00032 0.00000 -0.00078 -0.00077 1.90853 A12 1.90952 -0.00164 0.00000 -0.00203 -0.00206 1.90746 A13 1.92741 -0.00970 0.00000 -0.01751 -0.01751 1.90990 A14 2.11705 0.03290 0.00000 0.04560 0.04560 2.16265 A15 2.11843 0.05751 0.00000 0.07646 0.07649 2.19492 A16 2.11880 -0.05193 0.00000 -0.07524 -0.07520 2.04360 A17 2.04584 -0.00558 0.00000 -0.00123 -0.00130 2.04454 A18 2.24000 0.04748 0.00000 0.05360 0.05359 2.29359 A19 2.12601 -0.03353 0.00000 -0.03887 -0.03895 2.08706 A20 1.91714 -0.01395 0.00000 -0.01474 -0.01464 1.90250 A21 1.87743 -0.00611 0.00000 -0.00152 -0.00147 1.87596 A22 1.91914 0.00812 0.00000 0.00547 0.00542 1.92456 A23 2.09823 0.05968 0.00000 0.08561 0.08564 2.18387 A24 2.26581 -0.06780 0.00000 -0.09108 -0.09106 2.17476 A25 2.26390 0.00169 0.00000 0.00555 0.00559 2.26950 A26 2.19933 -0.01538 0.00000 -0.01811 -0.01807 2.18126 A27 1.81983 0.01368 0.00000 0.01251 0.01242 1.83225 A28 1.89121 -0.00174 0.00000 -0.00171 -0.00172 1.88949 A29 2.12305 0.01682 0.00000 0.02900 0.02902 2.15207 A30 2.26893 -0.01507 0.00000 -0.02728 -0.02729 2.24163 A31 2.06594 -0.02507 0.00000 -0.04090 -0.04079 2.02515 A32 2.11289 0.04345 0.00000 0.05392 0.05397 2.16686 A33 2.07852 -0.01387 0.00000 -0.01277 -0.01280 2.06573 A34 2.09175 -0.02958 0.00000 -0.04114 -0.04116 2.05059 A35 2.09256 0.00391 0.00000 -0.00193 -0.00196 2.09060 A36 1.93181 0.08935 0.00000 0.12384 0.12384 2.05565 A37 2.11472 0.00350 0.00000 0.00526 0.00526 2.11998 A38 2.07158 0.01414 0.00000 0.02605 0.02605 2.09763 A39 2.09688 -0.01764 0.00000 -0.03132 -0.03132 2.06556 A40 2.10787 0.01565 0.00000 0.02741 0.02741 2.13528 A41 2.10865 -0.00552 0.00000 -0.00830 -0.00830 2.10036 A42 2.06666 -0.01013 0.00000 -0.01912 -0.01912 2.04753 A43 2.08519 -0.00129 0.00000 -0.00178 -0.00178 2.08341 A44 2.09655 -0.00098 0.00000 -0.00136 -0.00136 2.09520 A45 2.10130 0.00228 0.00000 0.00317 0.00317 2.10446 A46 1.93107 -0.00474 0.00000 -0.00949 -0.00946 1.92161 A47 1.89802 0.00821 0.00000 0.01535 0.01527 1.91329 A48 1.89952 0.00833 0.00000 0.01540 0.01533 1.91485 A49 1.92917 -0.00335 0.00000 -0.00679 -0.00676 1.92241 A50 1.93051 -0.00401 0.00000 -0.00831 -0.00828 1.92223 A51 1.87421 -0.00403 0.00000 -0.00527 -0.00545 1.86876 A52 1.91251 0.00140 0.00000 0.00172 0.00168 1.91419 A53 1.90253 0.01167 0.00000 0.02242 0.02233 1.92486 A54 1.91789 0.00212 0.00000 0.00324 0.00318 1.92108 A55 1.89324 -0.00433 0.00000 -0.00663 -0.00671 1.88653 A56 1.94136 -0.00657 0.00000 -0.01449 -0.01449 1.92686 A57 1.89569 -0.00402 0.00000 -0.00565 -0.00576 1.88993 A58 2.09838 -0.00599 0.00000 -0.00832 -0.00832 2.09006 A59 2.08130 0.00149 0.00000 0.00206 0.00206 2.08336 A60 2.10291 0.00449 0.00000 0.00622 0.00622 2.10913 A61 1.92463 -0.00184 0.00000 -0.00473 -0.00472 1.91991 A62 1.90059 0.01070 0.00000 0.02022 0.02010 1.92069 A63 1.90705 0.00757 0.00000 0.01411 0.01399 1.92104 A64 1.92172 -0.00642 0.00000 -0.01254 -0.01253 1.90919 A65 1.93258 -0.00634 0.00000 -0.01324 -0.01322 1.91936 A66 1.87635 -0.00330 0.00000 -0.00300 -0.00326 1.87310 A67 1.92407 -0.00259 0.00000 -0.00550 -0.00550 1.91857 A68 1.90991 0.00406 0.00000 0.00724 0.00718 1.91709 A69 1.89601 0.00971 0.00000 0.01841 0.01835 1.91436 A70 1.93682 -0.00390 0.00000 -0.00873 -0.00873 1.92809 A71 1.91609 -0.00356 0.00000 -0.00632 -0.00631 1.90978 A72 1.87997 -0.00340 0.00000 -0.00441 -0.00453 1.87544 D1 1.05076 0.00359 0.00000 0.00768 0.00762 1.05838 D2 -3.13974 0.00241 0.00000 0.00444 0.00437 -3.13537 D3 -1.04236 0.00391 0.00000 0.00856 0.00851 -1.03385 D4 -3.14052 0.00094 0.00000 0.00564 0.00569 -3.13483 D5 -1.04783 -0.00024 0.00000 0.00239 0.00243 -1.04540 D6 1.04955 0.00125 0.00000 0.00652 0.00658 1.05613 D7 -1.01522 -0.00263 0.00000 -0.00698 -0.00697 -1.02219 D8 1.07747 -0.00381 0.00000 -0.01022 -0.01022 1.06725 D9 -3.10834 -0.00232 0.00000 -0.00610 -0.00608 -3.11441 D10 -1.04048 0.00184 0.00000 0.00139 0.00128 -1.03920 D11 3.11254 -0.00718 0.00000 -0.01548 -0.01545 3.09709 D12 1.05058 0.00414 0.00000 0.00976 0.00984 1.06042 D13 -0.62582 -0.00487 0.00000 -0.01368 -0.01365 -0.63947 D14 2.53479 -0.00379 0.00000 -0.00963 -0.00962 2.52517 D15 1.46565 0.00271 0.00000 0.00303 0.00290 1.46855 D16 -1.65693 0.00379 0.00000 0.00707 0.00693 -1.65000 D17 -2.76521 -0.00301 0.00000 -0.00837 -0.00826 -2.77347 D18 0.39540 -0.00193 0.00000 -0.00433 -0.00423 0.39117 D19 -0.10082 -0.00427 0.00000 -0.01536 -0.01539 -0.11621 D20 3.05743 -0.00418 0.00000 -0.01496 -0.01494 3.04249 D21 -0.01964 -0.00102 0.00000 -0.00321 -0.00322 -0.02286 D22 3.12643 -0.00056 0.00000 -0.00178 -0.00177 3.12466 D23 -0.00005 -0.00022 0.00000 -0.00115 -0.00117 -0.00123 D24 -3.13343 0.00013 0.00000 -0.00036 -0.00035 -3.13379 D25 3.12555 -0.00077 0.00000 -0.00226 -0.00230 3.12325 D26 -0.00783 -0.00042 0.00000 -0.00147 -0.00148 -0.00931 D27 3.13902 0.00073 0.00000 0.00131 0.00133 3.14036 D28 0.01343 0.00021 0.00000 0.00094 0.00094 0.01437 D29 -3.13840 0.00057 0.00000 0.00136 0.00144 -3.13696 D30 -0.00423 0.00014 0.00000 0.00051 0.00055 -0.00368 D31 3.14132 -0.00042 0.00000 -0.00173 -0.00174 3.13958 D32 -0.00192 0.00042 0.00000 0.00101 0.00107 -0.00085 D33 0.00658 -0.00042 0.00000 -0.00140 -0.00143 0.00515 D34 -3.13666 0.00042 0.00000 0.00135 0.00139 -3.13527 D35 0.00013 0.00027 0.00000 0.00063 0.00060 0.00073 D36 3.14100 0.00085 0.00000 0.00269 0.00286 -3.13932 D37 -3.12205 0.00072 0.00000 0.00230 0.00233 -3.11972 D38 0.00367 -0.00041 0.00000 -0.00134 -0.00135 0.00232 D39 0.02035 -0.00000 0.00000 -0.00013 -0.00001 0.02034 D40 -3.13711 -0.00114 0.00000 -0.00376 -0.00369 -3.14080 D41 -0.05640 -0.00191 0.00000 -0.00642 -0.00644 -0.06284 D42 3.08432 -0.00115 0.00000 -0.00383 -0.00381 3.08051 D43 3.12031 -0.00040 0.00000 -0.00158 -0.00153 3.11878 D44 -0.01945 -0.00137 0.00000 -0.00470 -0.00461 -0.02406 D45 -0.00619 0.00049 0.00000 0.00161 0.00164 -0.00455 D46 3.13724 -0.00048 0.00000 -0.00151 -0.00144 3.13580 D47 0.00521 -0.00003 0.00000 -0.00001 -0.00007 0.00513 D48 -3.13843 0.00103 0.00000 0.00343 0.00339 -3.13505 D49 0.00072 -0.00016 0.00000 -0.00039 -0.00040 0.00032 D50 -3.13459 -0.00055 0.00000 -0.00181 -0.00181 -3.13641 D51 -0.01059 -0.00002 0.00000 -0.00014 -0.00010 -0.01069 D52 3.12468 0.00044 0.00000 0.00140 0.00140 3.12607 D53 3.13229 -0.00099 0.00000 -0.00306 -0.00306 3.12923 D54 -0.00597 -0.00078 0.00000 -0.00244 -0.00243 -0.00840 D55 3.12137 0.00144 0.00000 0.00489 0.00488 3.12626 D56 -0.05729 0.00124 0.00000 0.00394 0.00394 -0.05335 D57 -0.02360 0.00129 0.00000 0.00437 0.00437 -0.01923 D58 3.08092 0.00109 0.00000 0.00343 0.00343 3.08435 D59 -0.00488 -0.00011 0.00000 -0.00040 -0.00039 -0.00527 D60 3.11868 0.00049 0.00000 0.00168 0.00168 3.12036 D61 3.14108 0.00027 0.00000 0.00088 0.00088 -3.14123 D62 -0.01854 0.00088 0.00000 0.00295 0.00294 -0.01560 D63 -3.14140 0.00055 0.00000 0.00171 0.00171 -3.13970 D64 1.01981 0.00235 0.00000 0.00612 0.00621 1.02603 D65 -1.01680 -0.00198 0.00000 -0.00456 -0.00465 -1.02145 D66 0.01827 -0.00002 0.00000 -0.00032 -0.00032 0.01795 D67 -2.10370 0.00178 0.00000 0.00409 0.00418 -2.09952 D68 2.14288 -0.00255 0.00000 -0.00660 -0.00668 2.13620 D69 -2.64425 0.00322 0.00000 0.00857 0.00860 -2.63565 D70 1.56949 0.00073 0.00000 0.00231 0.00232 1.57181 D71 -0.50611 -0.00268 0.00000 -0.00626 -0.00630 -0.51241 D72 0.47914 0.00379 0.00000 0.01061 0.01064 0.48978 D73 -1.59031 0.00130 0.00000 0.00435 0.00437 -1.58594 D74 2.61728 -0.00211 0.00000 -0.00422 -0.00426 2.61302 D75 -3.08013 0.00071 0.00000 0.00186 0.00186 -3.07827 D76 1.09268 0.00297 0.00000 0.00741 0.00752 1.10020 D77 -0.95213 -0.00342 0.00000 -0.00844 -0.00855 -0.96068 D78 0.09900 0.00098 0.00000 0.00291 0.00291 0.10191 D79 -2.01138 0.00324 0.00000 0.00846 0.00857 -2.00280 D80 2.22700 -0.00315 0.00000 -0.00739 -0.00750 2.21949 D81 2.96871 -0.00092 0.00000 -0.00201 -0.00200 2.96670 D82 0.83391 0.00296 0.00000 0.00770 0.00775 0.84166 D83 -1.21425 -0.00078 0.00000 -0.00160 -0.00165 -1.21590 D84 -0.21006 -0.00135 0.00000 -0.00327 -0.00327 -0.21333 D85 -2.34486 0.00253 0.00000 0.00644 0.00649 -2.33837 D86 1.89017 -0.00121 0.00000 -0.00286 -0.00292 1.88726 Item Value Threshold Converged? Maximum Force 0.089353 0.000450 NO RMS Force 0.017829 0.000300 NO Maximum Displacement 1.494906 0.001800 NO RMS Displacement 0.450141 0.001200 NO Predicted change in Energy=-6.047488D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.109353 -4.777470 2.229567 2 6 0 6.966179 -5.526553 3.566755 3 8 0 7.450898 -5.704281 1.203076 4 7 0 2.917169 -0.955927 -0.047180 5 6 0 4.232416 -1.399800 0.259874 6 6 0 4.568632 -2.616494 0.938038 7 7 0 3.782574 -3.619457 1.445335 8 6 0 4.565640 -4.497958 1.967766 9 7 0 5.891574 -4.106648 1.825012 10 6 0 5.837577 -2.905614 1.168883 11 7 0 6.859904 -2.106531 0.795265 12 6 0 6.534937 -1.019891 0.193820 13 7 0 5.202852 -0.634575 -0.085271 14 1 0 7.905146 -4.026203 2.298513 15 1 0 7.919828 -6.002283 3.814852 16 1 0 6.697576 -4.826228 4.362755 17 7 0 4.155385 -5.660438 2.579407 18 1 0 6.193412 -6.289389 3.482800 19 1 0 8.301348 -6.148849 1.432005 20 6 0 2.900605 -5.858563 2.699240 21 1 0 7.315602 -0.361787 -0.122766 22 6 0 1.867353 -1.656324 0.141138 23 1 0 1.904986 -2.630874 0.523225 24 7 0 0.652206 -1.155876 -0.158307 25 6 0 0.549059 0.179988 -0.686999 26 6 0 -0.531765 -1.965142 0.033042 27 1 0 -0.498295 0.430577 -0.872666 28 1 0 1.123467 0.253296 -1.613500 29 1 0 0.986678 0.890849 0.019066 30 1 0 -1.301843 -1.666736 -0.684545 31 1 0 -0.933006 -1.819240 1.043733 32 1 0 -0.286812 -3.022410 -0.089050 33 7 0 2.422254 -6.965144 3.266774 34 1 0 2.212903 -5.140252 2.342337 35 6 0 0.993353 -7.142929 3.400609 36 6 0 3.339935 -7.993593 3.697782 37 1 0 0.780744 -8.068644 3.942160 38 1 0 0.525872 -7.185070 2.410877 39 1 0 0.557056 -6.291047 3.930964 40 1 0 2.810198 -8.738929 4.293326 41 1 0 4.150983 -7.547486 4.277563 42 1 0 3.788066 -8.477076 2.824725 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.539381 0.000000 3 O 1.424541 2.419405 0.000000 4 N 6.112461 7.095465 6.683166 0.000000 5 C 4.854392 5.953068 5.456814 1.421682 0.000000 6 C 3.576748 4.596393 4.232273 2.540761 1.432932 7 N 3.608805 4.274667 4.226320 3.173470 2.556277 8 C 2.572381 3.062248 3.219422 4.395844 3.553382 9 N 1.447982 2.490898 2.317483 4.720088 3.539702 10 C 2.499262 3.727312 3.230559 3.716029 2.381243 11 N 3.041934 4.403295 3.668704 4.192704 2.773050 12 C 4.312033 5.645588 4.878637 3.626350 2.334587 13 N 5.114372 6.354374 5.693459 2.308477 1.283137 14 H 1.096560 2.177418 2.054817 6.309420 4.954088 15 H 2.161056 1.094221 2.670221 8.087496 6.886053 16 H 2.173115 1.093717 3.364825 6.979845 5.886516 17 N 3.102893 2.982171 3.571640 5.528522 4.851722 18 H 2.166896 1.089099 2.668477 7.186121 6.175827 19 H 1.984349 2.593663 0.986567 7.625209 6.362670 20 C 4.370688 4.170336 4.792439 5.619514 5.254027 21 H 5.007422 6.356844 5.506216 4.439024 3.275656 22 C 6.448384 7.260272 6.977797 1.275983 2.381896 23 H 5.882595 6.577515 6.376925 2.038460 2.646097 24 N 7.778986 8.534937 8.292380 2.276485 3.612793 25 C 8.724689 9.583238 9.264577 2.703260 4.118181 26 C 8.433303 9.021637 8.892302 3.594453 4.802966 27 H 9.727483 10.531583 10.253529 3.777462 5.197360 28 H 8.712554 9.714884 9.135765 2.670757 3.988460 29 H 8.631529 9.461689 9.310411 2.672408 3.979934 30 H 9.429577 10.066375 9.822186 4.325684 5.620605 31 H 8.650830 9.083332 9.241687 4.093806 5.241369 32 H 7.947293 8.499501 8.290607 3.812819 4.814357 33 N 5.275473 4.775645 5.579954 6.880256 6.579605 34 H 4.911166 4.923622 5.390049 4.869738 4.733505 35 C 6.661245 6.189905 6.971280 7.339435 7.303375 36 C 5.167941 4.387835 5.325835 7.983245 7.489582 37 H 7.335945 6.697967 7.588396 8.430295 8.363418 38 H 7.012248 6.750132 7.183836 7.110736 7.199627 39 H 6.936733 6.464825 7.437118 7.061110 7.135088 40 H 6.199596 5.302777 6.347821 8.912158 8.494367 41 H 4.540840 3.537619 4.872301 7.979621 7.344557 42 H 5.007219 4.399613 4.871804 8.097776 7.540806 6 7 8 9 10 6 C 0.000000 7 N 1.371558 0.000000 8 C 2.144821 1.287591 0.000000 9 N 2.181160 2.197588 1.389822 0.000000 10 C 1.321780 2.192952 2.188972 1.369637 0.000000 11 N 2.351675 3.490200 3.515300 2.449186 1.350287 12 C 2.639954 3.987422 4.372867 3.550039 2.234504 13 N 2.318922 3.642727 4.421168 4.022289 2.670842 14 H 3.869173 4.229534 3.388842 2.070060 2.608951 15 H 5.565082 5.330042 4.114037 3.415656 4.574525 16 H 4.598262 4.297078 3.223180 2.758184 3.824811 17 N 3.482881 2.364469 1.376144 2.449026 3.522557 18 H 4.754564 4.134240 2.855555 2.757485 4.114701 19 H 5.162820 5.178545 4.119223 3.183088 4.081418 20 C 4.049094 2.713622 2.271264 3.574825 4.437083 21 H 3.708754 5.055061 5.388927 4.454849 3.213094 22 C 2.975548 3.036922 4.323449 5.003387 4.287152 23 H 2.695791 2.313638 3.556934 4.445835 3.994701 24 N 4.321315 4.294193 5.568183 6.331792 5.631260 25 C 5.159266 5.425702 6.712963 7.295747 6.397942 26 C 5.220855 4.831651 6.011809 7.004034 6.537824 27 H 6.183611 6.332594 7.615901 8.288203 7.445896 28 H 5.158992 5.605848 6.873749 7.318970 6.320063 29 H 5.096700 5.494918 6.756155 7.231488 6.266293 30 H 6.164194 5.848145 7.034054 7.999768 7.479394 31 H 5.560108 5.063473 6.185828 7.239995 6.858328 32 H 4.979459 4.389841 5.473026 6.558327 6.253333 33 N 5.379657 4.044964 3.516892 4.720790 5.704855 34 H 3.727046 2.362477 2.467431 3.855980 4.416884 35 C 6.271801 4.900786 4.670133 5.974452 6.811898 36 C 6.167583 4.939890 4.088370 5.012631 6.206535 37 H 7.286892 5.919492 5.565381 6.804433 7.740769 38 H 6.275751 4.924629 4.872026 6.213749 6.933290 39 H 6.209082 4.870289 4.810204 6.137078 6.853770 40 H 7.199602 5.938482 5.145449 6.086500 7.277001 41 H 5.970054 4.856610 3.847951 4.569905 5.835707 42 H 6.206069 5.049675 4.143957 4.952253 6.163076 11 12 13 14 15 11 N 0.000000 12 C 1.283794 0.000000 13 N 2.384915 1.414500 0.000000 14 H 2.652815 3.917285 4.948531 0.000000 15 H 5.041650 6.313005 7.169743 2.490862 0.000000 16 H 4.488886 5.647538 6.291987 2.521778 1.782470 17 N 4.809141 5.734803 5.784202 4.100041 3.976709 18 H 5.016309 6.221065 6.759383 3.074831 1.781348 19 H 4.338610 5.564129 6.504616 2.326680 2.417644 20 C 5.777449 6.549675 6.351685 5.344489 5.143719 21 H 2.023505 1.069003 2.130618 4.431489 6.905441 22 C 5.055308 4.711068 3.495824 6.835608 8.307587 23 H 4.990005 4.913270 3.902742 6.410968 7.640650 24 N 6.352051 5.894828 4.580990 8.178012 9.596457 25 C 6.874012 6.168167 4.762707 8.984283 10.621458 26 C 7.432210 7.131453 5.888143 8.975622 10.100991 27 H 7.960025 7.260000 5.853001 10.026819 11.585306 28 H 6.654144 5.845632 4.445805 8.922394 10.714000 29 H 6.639394 5.870659 4.484855 8.788542 10.487699 30 H 8.306465 7.912335 6.613285 9.961644 11.139154 31 H 7.802161 7.558537 6.350341 9.195547 10.175933 32 H 7.259228 7.115219 5.986499 8.591637 9.563944 33 N 7.029027 7.855141 7.684012 6.295793 5.608102 34 H 5.761207 6.346139 5.927411 5.800401 5.956542 35 C 8.159016 8.859133 8.498818 7.661689 7.031979 36 C 7.447972 8.433167 8.481574 6.208002 4.995442 37 H 9.077771 9.841022 9.541521 8.354641 7.433208 38 H 8.277785 8.890086 8.426973 8.027749 7.618446 39 H 8.189547 8.802636 8.349206 7.860589 7.369348 40 H 8.522046 9.500694 9.517219 7.221327 5.816055 41 H 7.004902 8.060378 8.241911 5.514510 4.099506 42 H 7.357903 8.371175 8.483780 6.085846 4.916951 16 17 18 19 20 16 H 0.000000 17 N 3.215428 0.000000 18 H 1.780264 2.316302 0.000000 19 H 3.593147 4.329445 2.944301 0.000000 20 C 4.272001 1.275964 3.412060 5.555014 0.000000 21 H 6.358702 6.735311 7.028221 6.072817 7.594108 22 C 7.155516 5.216625 7.165667 7.952699 5.026959 23 H 6.521541 4.297725 6.366665 7.356323 4.017995 24 N 8.393926 6.329171 8.385438 9.271906 5.944421 25 C 9.400345 7.601682 9.544568 10.229484 7.311668 26 C 8.899192 6.489111 8.707924 9.873418 5.835110 27 H 10.335580 8.406784 10.435850 11.226490 7.991516 28 H 9.622260 7.857814 9.720254 10.088832 7.688482 29 H 9.174256 7.714623 9.521730 10.249787 7.510061 30 H 9.972379 7.508952 9.742408 10.806961 6.832421 31 H 8.847806 6.557806 8.758830 10.206349 5.809769 32 H 8.476674 5.814891 8.088545 9.265243 5.096857 33 N 4.904540 2.275626 3.837309 6.212605 1.332455 34 H 4.928793 2.024853 4.297164 6.238200 1.056544 35 C 6.231452 3.587561 5.270284 7.633504 2.403981 36 C 4.663491 2.712809 3.330594 5.757816 2.397592 37 H 6.760109 4.364030 5.716094 8.157572 3.305014 38 H 6.889405 3.940338 5.837145 7.905060 2.735348 39 H 6.327569 3.895170 5.654145 8.138740 2.682613 40 H 5.515955 3.771493 4.254801 6.711811 3.293295 41 H 3.727954 2.538643 2.527048 5.222922 2.628119 42 H 4.915229 2.851062 3.317337 5.265931 2.767660 21 22 23 24 25 21 H 0.000000 22 C 5.606148 0.000000 23 H 5.902612 1.047451 0.000000 24 N 6.710640 1.347849 2.051721 0.000000 25 C 6.811607 2.407436 3.347256 1.440378 0.000000 26 C 8.011004 2.421326 2.573175 1.446828 2.507632 27 H 7.889688 3.313494 4.134822 2.085857 1.092803 28 H 6.398684 2.697919 3.673526 2.079769 1.092576 29 H 6.453254 2.697884 3.674234 2.081445 1.093326 30 H 8.733776 3.275005 3.559778 2.087154 2.614619 31 H 8.457212 2.946732 2.997311 2.097105 3.031314 32 H 8.054610 2.561172 2.309146 2.090574 3.363268 33 N 8.890341 6.185555 5.155631 6.972219 8.378192 34 H 7.412692 4.135509 3.114637 4.956233 6.344305 35 C 9.918110 6.441340 5.428541 6.973311 8.398277 36 C 9.415253 7.414795 6.394970 8.297450 9.686212 37 H 10.891448 7.533017 6.520919 8.038452 9.461645 38 H 9.953742 6.125220 5.119169 6.554986 7.990085 39 H 9.862394 6.128648 5.179428 6.565148 7.949839 40 H 10.486995 8.263953 7.234737 9.054096 10.462479 41 H 9.000666 7.551873 6.581234 8.530596 9.865830 42 H 9.326797 7.577166 6.559038 8.504826 9.887777 26 27 28 29 30 26 C 0.000000 27 H 2.561425 0.000000 28 H 3.220614 1.791752 0.000000 29 H 3.234586 1.792256 1.757969 0.000000 30 H 1.094073 2.253842 3.229799 3.503375 0.000000 31 H 1.097168 2.987179 3.947831 3.475588 1.773765 32 H 1.092119 3.547097 3.878540 4.116680 1.795203 33 N 6.647050 8.964445 8.809642 8.621201 7.586497 34 H 4.790341 6.980042 6.776863 6.578403 5.794891 35 C 6.362073 8.822919 8.936574 8.716448 7.207294 36 C 8.047521 10.324129 10.056521 9.899700 8.987769 37 H 7.365910 9.851663 10.011867 9.782923 8.168720 38 H 5.832697 8.356355 8.478326 8.435257 6.585908 39 H 5.923917 8.328798 8.595948 8.189454 6.792840 40 H 8.671963 11.032382 10.890168 10.692387 9.576220 41 H 8.432477 10.573086 10.233410 9.967604 9.430750 42 H 8.298176 10.554141 10.149745 10.172390 9.197982 31 32 33 34 35 31 H 0.000000 32 H 1.774368 0.000000 33 N 6.532994 5.843436 0.000000 34 H 4.755232 4.079886 2.056366 0.000000 35 C 6.132486 5.549344 1.446125 2.572539 0.000000 36 C 7.963958 7.225375 1.444165 3.353951 2.513640 37 H 7.098793 6.546358 2.090075 3.631252 1.093356 38 H 5.726215 4.923193 2.092174 2.651802 1.095392 39 H 5.527517 5.249440 2.091535 2.567080 1.094228 40 H 8.511964 7.840618 2.085815 4.136858 2.577806 41 H 8.313688 7.696600 2.085503 3.646373 3.302021 42 H 8.353875 7.405950 2.084896 3.721321 3.149922 36 37 38 39 40 36 C 0.000000 37 H 2.571928 0.000000 38 H 3.198246 1.786194 0.000000 39 H 3.270696 1.791650 1.763779 0.000000 40 H 1.091247 2.165937 3.343088 3.346652 0.000000 41 H 1.092226 3.426750 4.093567 3.822968 1.793736 42 H 1.093986 3.234110 3.533052 4.054863 1.783699 41 42 41 H 0.000000 42 H 1.762550 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.634983 -2.250454 -0.050528 2 6 0 3.752651 -1.568494 -0.860122 3 8 0 3.047131 -2.380946 1.306831 4 7 0 -3.207089 -0.452578 -0.046252 5 6 0 -2.143614 -1.396009 -0.058044 6 6 0 -0.745532 -1.082015 -0.049863 7 7 0 -0.085792 0.120302 -0.031203 8 6 0 1.176983 -0.131210 -0.037012 9 7 0 1.394449 -1.503710 -0.060585 10 6 0 0.143054 -2.060302 -0.071587 11 7 0 -0.193973 -3.367527 -0.100753 12 6 0 -1.451624 -3.625017 -0.112529 13 7 0 -2.464489 -2.637757 -0.097291 14 1 0 2.433141 -3.251383 -0.450334 15 1 0 4.654805 -2.186160 -0.816262 16 1 0 3.445682 -1.456591 -1.903897 17 7 0 2.173440 0.817773 -0.020376 18 1 0 3.966941 -0.586434 -0.440866 19 1 0 3.870896 -2.922186 1.349091 20 6 0 1.826926 2.044850 -0.068269 21 1 0 -1.760240 -4.648342 -0.130707 22 6 0 -3.041867 0.804628 0.096104 23 1 0 -2.096453 1.233255 0.236192 24 7 0 -4.101718 1.637122 0.076934 25 6 0 -5.422632 1.094874 -0.112383 26 6 0 -3.909737 3.058737 0.265259 27 1 0 -6.163167 1.898468 -0.104506 28 1 0 -5.640567 0.374555 0.679681 29 1 0 -5.466122 0.552263 -1.060561 30 1 0 -4.803036 3.493566 0.723449 31 1 0 -3.748096 3.552102 -0.701303 32 1 0 -3.034067 3.238803 0.892556 33 7 0 2.730102 3.024154 -0.042342 34 1 0 0.804911 2.306368 -0.126407 35 6 0 2.297132 4.401878 -0.117791 36 6 0 4.128015 2.694554 0.108704 37 1 0 3.165412 5.065632 -0.148583 38 1 0 1.680496 4.649913 0.752911 39 1 0 1.679364 4.553068 -1.008206 40 1 0 4.740131 3.580762 -0.066713 41 1 0 4.398813 1.899028 -0.588979 42 1 0 4.311179 2.320313 1.120238 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3095968 0.2039617 0.1261336 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1823.8473642715 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.20D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.988822 -0.000827 0.002717 0.149075 Ang= -17.15 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.34623099 A.U. after 16 cycles NFock= 16 Conv=0.45D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.010982412 -0.017867950 -0.001610655 2 6 -0.001749536 0.004739448 -0.002820550 3 8 0.025551984 -0.006997154 0.013865558 4 7 0.024198764 0.001174952 0.003794706 5 6 -0.034369928 -0.018878887 0.007664413 6 6 -0.053762885 0.006009674 -0.005369092 7 7 -0.021485018 -0.002370308 -0.000222230 8 6 -0.001960472 0.012659787 -0.009523512 9 7 0.003234444 -0.014780220 0.014716693 10 6 0.054318900 0.018650448 -0.010227612 11 7 0.017912320 -0.018732987 0.011778666 12 6 -0.072303845 -0.001715717 -0.003127263 13 7 0.066082987 0.015359308 -0.005841776 14 1 -0.013048459 -0.003230923 -0.001286280 15 1 -0.004378081 0.004367574 -0.000550358 16 1 0.002504235 -0.005340606 -0.003067407 17 7 0.014972227 -0.001796483 -0.001198688 18 1 0.008601760 0.006236985 0.001491215 19 1 -0.033468685 0.019315113 -0.007643342 20 6 0.021335816 -0.006288193 0.002516064 21 1 -0.001744903 0.004461244 -0.001987927 22 6 0.013556864 0.026772190 -0.010249804 23 1 -0.005405372 -0.023236619 0.008490469 24 7 0.001470993 -0.015244310 -0.000562310 25 6 0.006542092 0.011251818 -0.002131664 26 6 -0.002693690 0.003052266 0.008197928 27 1 0.008149475 -0.002571242 0.002113355 28 1 -0.005596856 0.001874112 0.004472027 29 1 -0.005448704 -0.002209609 -0.005757774 30 1 0.006685134 -0.006565522 0.004331083 31 1 -0.001452843 -0.002813762 -0.006556644 32 1 -0.004305266 0.006449567 -0.001424342 33 7 -0.004555885 0.000816740 0.004807830 34 1 -0.017080788 0.008352998 -0.002731148 35 6 -0.008680551 0.005202939 -0.006280220 36 6 0.010954545 -0.005095363 -0.001734226 37 1 0.001034687 0.010128927 -0.004945185 38 1 -0.000428292 -0.003849191 0.007359003 39 1 0.000321189 -0.008301936 -0.000054440 40 1 0.004281335 0.006420152 -0.003688363 41 1 -0.007249487 -0.005536278 -0.001781967 42 1 -0.001522615 0.000127015 0.006775770 ------------------------------------------------------------------- Cartesian Forces: Max 0.072303845 RMS 0.014962987 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.049975302 RMS 0.008779677 Search for a local minimum. Step number 2 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -4.57D-02 DEPred=-6.05D-02 R= 7.55D-01 TightC=F SS= 1.41D+00 RLast= 3.04D-01 DXNew= 5.0454D-01 9.1321D-01 Trust test= 7.55D-01 RLast= 3.04D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00929 0.01105 0.01185 0.01196 Eigenvalues --- 0.01204 0.01212 0.01264 0.01467 0.01496 Eigenvalues --- 0.01546 0.01751 0.02021 0.02156 0.02266 Eigenvalues --- 0.02272 0.02304 0.02326 0.02328 0.02587 Eigenvalues --- 0.02605 0.02673 0.02706 0.02831 0.02904 Eigenvalues --- 0.03296 0.03480 0.04811 0.05370 0.05623 Eigenvalues --- 0.05724 0.07577 0.07602 0.07638 0.07647 Eigenvalues --- 0.07660 0.07711 0.07791 0.07842 0.08266 Eigenvalues --- 0.15723 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16013 0.17743 Eigenvalues --- 0.19357 0.21118 0.22006 0.22200 0.23800 Eigenvalues --- 0.24983 0.24987 0.24993 0.24997 0.24997 Eigenvalues --- 0.24998 0.24999 0.24999 0.25000 0.25000 Eigenvalues --- 0.25000 0.27590 0.31108 0.32813 0.33160 Eigenvalues --- 0.33307 0.33401 0.33492 0.33534 0.33593 Eigenvalues --- 0.33601 0.33624 0.33651 0.33670 0.33692 Eigenvalues --- 0.33751 0.33792 0.33868 0.34619 0.37157 Eigenvalues --- 0.37408 0.38560 0.38981 0.39474 0.39860 Eigenvalues --- 0.40050 0.40312 0.40401 0.40664 0.42140 Eigenvalues --- 0.42850 0.43882 0.47524 0.49242 0.50950 Eigenvalues --- 0.51836 0.54589 0.59227 0.59373 0.64999 Eigenvalues --- 0.68847 0.71352 0.73412 0.75941 0.91743 RFO step: Lambda=-7.23138376D-02 EMin= 2.29978452D-03 Quartic linear search produced a step of 0.82136. Iteration 1 RMS(Cart)= 0.17081817 RMS(Int)= 0.00639787 Iteration 2 RMS(Cart)= 0.01276876 RMS(Int)= 0.00076423 Iteration 3 RMS(Cart)= 0.00005102 RMS(Int)= 0.00076348 Iteration 4 RMS(Cart)= 0.00000010 RMS(Int)= 0.00076348 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90901 -0.00963 -0.01628 -0.03859 -0.05488 2.85413 R2 2.69199 -0.01440 -0.02004 -0.04015 -0.06019 2.63180 R3 2.73629 -0.00523 -0.01496 -0.01103 -0.02599 2.71030 R4 2.07220 -0.01176 -0.01912 -0.03956 -0.05867 2.01353 R5 2.06778 -0.00584 -0.01023 -0.01860 -0.02883 2.03895 R6 2.06683 -0.00627 -0.00994 -0.02054 -0.03047 2.03635 R7 2.05810 -0.01059 -0.01382 -0.03621 -0.05003 2.00807 R8 1.86434 -0.03933 -0.04837 -0.09961 -0.14798 1.71636 R9 2.68659 -0.03469 -0.02402 -0.11206 -0.13608 2.55051 R10 2.41126 -0.00755 -0.00435 -0.01309 -0.01744 2.39382 R11 2.70785 -0.01008 0.02076 -0.04093 -0.02081 2.68704 R12 2.42478 0.02171 0.00907 0.03885 0.04749 2.47226 R13 2.59187 0.00645 0.01801 0.01190 0.02992 2.62179 R14 2.49780 0.04111 0.04458 0.07408 0.11823 2.61603 R15 2.43319 0.01211 0.02448 0.00398 0.02878 2.46197 R16 2.62638 -0.00042 -0.00959 -0.00487 -0.01426 2.61213 R17 2.60054 -0.00457 0.03089 -0.03398 -0.00308 2.59745 R18 2.58824 -0.00088 0.00118 -0.00341 -0.00244 2.58579 R19 2.55167 -0.01478 -0.01628 -0.03024 -0.04609 2.50558 R20 2.42602 0.00893 -0.00697 0.02010 0.01374 2.43976 R21 2.67302 -0.04998 -0.06182 -0.16396 -0.22555 2.44747 R22 2.02012 0.00206 0.00071 0.00756 0.00826 2.02839 R23 2.41122 0.00128 0.01730 -0.00990 0.00739 2.41862 R24 2.51797 0.00237 0.00231 0.00456 0.00687 2.52485 R25 1.99658 0.01772 0.01676 0.05367 0.07043 2.06701 R26 1.97940 0.02452 0.02428 0.06976 0.09403 2.07343 R27 2.54706 -0.00613 -0.00629 -0.01289 -0.01918 2.52788 R28 2.72192 0.00796 0.01252 0.02080 0.03332 2.75524 R29 2.73411 0.00198 0.00380 0.00502 0.00882 2.74293 R30 2.06510 -0.00876 -0.01416 -0.02874 -0.04289 2.02221 R31 2.06467 -0.00661 -0.00985 -0.02194 -0.03179 2.03288 R32 2.06609 -0.00734 -0.01104 -0.02442 -0.03547 2.03062 R33 2.06750 -0.00934 -0.01520 -0.03079 -0.04599 2.02151 R34 2.07335 -0.00588 -0.00856 -0.01993 -0.02849 2.04486 R35 2.06381 -0.00705 -0.01100 -0.02313 -0.03413 2.02967 R36 2.73278 0.00691 0.01216 0.01772 0.02987 2.76265 R37 2.72908 0.00689 0.01228 0.01741 0.02968 2.75876 R38 2.06614 -0.01123 -0.01854 -0.03707 -0.05561 2.01054 R39 2.06999 -0.00632 -0.00945 -0.02115 -0.03060 2.03939 R40 2.06779 -0.00662 -0.01019 -0.02193 -0.03211 2.03568 R41 2.06216 -0.00848 -0.01372 -0.02760 -0.04132 2.02084 R42 2.06401 -0.00859 -0.01309 -0.02853 -0.04162 2.02239 R43 2.06733 -0.00609 -0.00912 -0.02025 -0.02937 2.03797 A1 1.90884 0.00343 0.01241 0.03905 0.05095 1.95978 A2 1.97133 0.01093 0.01224 0.06907 0.08139 2.05272 A3 1.92438 -0.00368 -0.00249 -0.02377 -0.02458 1.89980 A4 1.87730 -0.00705 -0.01411 -0.02908 -0.04725 1.83005 A5 1.89341 0.00278 0.00481 0.01855 0.02108 1.91449 A6 1.88652 -0.00675 -0.01328 -0.07602 -0.08882 1.79771 A7 1.90441 -0.00157 -0.00254 -0.01401 -0.01643 1.88798 A8 1.92139 0.00272 0.00610 0.01801 0.02391 1.94529 A9 1.91757 0.00171 0.00264 0.01464 0.01706 1.93463 A10 1.90436 -0.00170 -0.00394 -0.01704 -0.02084 1.88351 A11 1.90853 -0.00017 -0.00064 -0.00173 -0.00228 1.90625 A12 1.90746 -0.00102 -0.00169 -0.00020 -0.00239 1.90508 A13 1.90990 -0.00396 -0.01438 -0.02328 -0.03766 1.87224 A14 2.16265 -0.02172 0.03745 -0.13710 -0.09964 2.06301 A15 2.19492 0.00056 0.06283 -0.03699 0.02643 2.22135 A16 2.04360 -0.00427 -0.06177 0.00480 -0.05638 1.98723 A17 2.04454 0.00371 -0.00107 0.03227 0.03001 2.07456 A18 2.29359 0.01410 0.04401 0.02467 0.06932 2.36291 A19 2.08706 -0.01772 -0.03199 -0.06396 -0.09671 1.99036 A20 1.90250 0.00362 -0.01203 0.03932 0.02741 1.92991 A21 1.87596 -0.01419 -0.00120 -0.06932 -0.07021 1.80575 A22 1.92456 0.01743 0.00445 0.07326 0.07801 2.00257 A23 2.18387 0.00316 0.07034 -0.01230 0.05781 2.24167 A24 2.17476 -0.02058 -0.07479 -0.06098 -0.13597 2.03879 A25 2.26950 0.01323 0.00459 0.07384 0.07824 2.34774 A26 2.18126 -0.01343 -0.01484 -0.05893 -0.07373 2.10753 A27 1.83225 0.00017 0.01020 -0.01538 -0.00540 1.82685 A28 1.88949 -0.00702 -0.00141 -0.02779 -0.02991 1.85958 A29 2.15207 0.00987 0.02383 0.04936 0.07358 2.22565 A30 2.24163 -0.00285 -0.02242 -0.02158 -0.04383 2.19780 A31 2.02515 -0.01709 -0.03350 -0.08287 -0.11487 1.91028 A32 2.16686 0.02405 0.04433 0.09680 0.14172 2.30858 A33 2.06573 -0.00724 -0.01051 -0.01773 -0.02856 2.03717 A34 2.05059 -0.01681 -0.03381 -0.07903 -0.11316 1.93743 A35 2.09060 -0.00281 -0.00161 -0.03152 -0.03370 2.05690 A36 2.05565 -0.00884 0.10172 -0.10281 -0.00109 2.05456 A37 2.11998 0.00767 0.00432 0.04324 0.04756 2.16754 A38 2.09763 0.00347 0.02140 0.02270 0.04409 2.14172 A39 2.06556 -0.01115 -0.02572 -0.06597 -0.09170 1.97386 A40 2.13528 0.00434 0.02252 0.02528 0.04779 2.18307 A41 2.10036 0.00383 -0.00682 0.02621 0.01939 2.11974 A42 2.04753 -0.00817 -0.01571 -0.05147 -0.06718 1.98036 A43 2.08341 -0.00093 -0.00146 -0.00418 -0.00567 2.07774 A44 2.09520 0.00022 -0.00112 0.00182 0.00068 2.09587 A45 2.10446 0.00073 0.00260 0.00253 0.00510 2.10957 A46 1.92161 -0.00354 -0.00777 -0.02806 -0.03544 1.88617 A47 1.91329 0.00438 0.01255 0.03007 0.04178 1.95507 A48 1.91485 0.00458 0.01259 0.03074 0.04250 1.95735 A49 1.92241 -0.00161 -0.00556 -0.01370 -0.01888 1.90352 A50 1.92223 -0.00213 -0.00680 -0.01857 -0.02500 1.89723 A51 1.86876 -0.00153 -0.00448 0.00094 -0.00539 1.86337 A52 1.91419 0.00076 0.00138 0.00112 0.00200 1.91619 A53 1.92486 0.00662 0.01834 0.04839 0.06572 1.99058 A54 1.92108 0.00129 0.00261 0.00542 0.00735 1.92842 A55 1.88653 -0.00209 -0.00551 -0.00704 -0.01333 1.87319 A56 1.92686 -0.00459 -0.01190 -0.04254 -0.05456 1.87230 A57 1.88993 -0.00205 -0.00473 -0.00546 -0.01129 1.87864 A58 2.09006 -0.00377 -0.00683 -0.01661 -0.02345 2.06662 A59 2.08336 0.00152 0.00169 0.00717 0.00885 2.09221 A60 2.10913 0.00224 0.00511 0.00920 0.01429 2.12341 A61 1.91991 -0.00149 -0.00387 -0.01704 -0.02058 1.89933 A62 1.92069 0.00592 0.01651 0.04200 0.05710 1.97779 A63 1.92104 0.00405 0.01149 0.02770 0.03769 1.95873 A64 1.90919 -0.00367 -0.01029 -0.02795 -0.03787 1.87133 A65 1.91936 -0.00395 -0.01086 -0.03438 -0.04500 1.87436 A66 1.87310 -0.00088 -0.00267 0.01003 0.00456 1.87766 A67 1.91857 -0.00220 -0.00451 -0.01916 -0.02358 1.89499 A68 1.91709 0.00200 0.00590 0.01213 0.01729 1.93438 A69 1.91436 0.00532 0.01508 0.03798 0.05249 1.96685 A70 1.92809 -0.00243 -0.00717 -0.02439 -0.03163 1.89646 A71 1.90978 -0.00157 -0.00518 -0.00909 -0.01404 1.89574 A72 1.87544 -0.00102 -0.00372 0.00356 -0.00145 1.87400 D1 1.05838 0.00187 0.00626 0.01734 0.02210 1.08048 D2 -3.13537 0.00046 0.00359 -0.00128 0.00062 -3.13475 D3 -1.03385 0.00201 0.00699 0.01920 0.02482 -1.00902 D4 -3.13483 0.00239 0.00467 0.05215 0.05805 -3.07678 D5 -1.04540 0.00098 0.00200 0.03353 0.03658 -1.00882 D6 1.05613 0.00253 0.00540 0.05400 0.06078 1.11690 D7 -1.02219 -0.00143 -0.00572 -0.01515 -0.02055 -1.04274 D8 1.06725 -0.00284 -0.00840 -0.03376 -0.04203 1.02522 D9 -3.11441 -0.00129 -0.00499 -0.01329 -0.01782 -3.13224 D10 -1.03920 0.00355 0.00105 0.01997 0.01944 -1.01976 D11 3.09709 -0.00747 -0.01269 -0.06984 -0.08207 3.01502 D12 1.06042 0.00278 0.00808 0.02542 0.03462 1.09504 D13 -0.63947 -0.00541 -0.01121 -0.09124 -0.10251 -0.74198 D14 2.52517 -0.00384 -0.00790 -0.05971 -0.06763 2.45754 D15 1.46855 0.00086 0.00238 -0.01935 -0.01913 1.44942 D16 -1.65000 0.00243 0.00569 0.01218 0.01574 -1.63425 D17 -2.77347 -0.00311 -0.00678 -0.05252 -0.05713 -2.83060 D18 0.39117 -0.00154 -0.00347 -0.02099 -0.02226 0.36892 D19 -0.11621 -0.00042 -0.01264 -0.01209 -0.02484 -0.14105 D20 3.04249 -0.00074 -0.01227 -0.01828 -0.03044 3.01205 D21 -0.02286 0.00053 -0.00265 0.00870 0.00607 -0.01678 D22 3.12466 0.00039 -0.00145 0.00624 0.00477 3.12943 D23 -0.00123 0.00006 -0.00096 0.00125 0.00010 -0.00113 D24 -3.13379 -0.00017 -0.00029 -0.00446 -0.00479 -3.13857 D25 3.12325 0.00031 -0.00189 0.00720 0.00520 3.12845 D26 -0.00931 0.00008 -0.00121 0.00150 0.00031 -0.00900 D27 3.14036 -0.00001 0.00109 -0.00036 0.00058 3.14094 D28 0.01437 -0.00028 0.00077 -0.00533 -0.00456 0.00981 D29 -3.13696 0.00017 0.00118 0.00057 0.00190 -3.13506 D30 -0.00368 0.00029 0.00045 0.00540 0.00617 0.00248 D31 3.13958 -0.00048 -0.00143 -0.00969 -0.01151 3.12807 D32 -0.00085 0.00030 0.00088 0.00438 0.00582 0.00497 D33 0.00515 -0.00074 -0.00117 -0.01427 -0.01557 -0.01041 D34 -3.13527 0.00003 0.00114 -0.00021 0.00176 -3.13351 D35 0.00073 0.00032 0.00049 0.00570 0.00595 0.00668 D36 -3.13932 0.00114 0.00235 0.01993 0.02389 -3.11543 D37 -3.11972 0.00079 0.00191 0.01339 0.01643 -3.10329 D38 0.00232 -0.00073 -0.00111 -0.01408 -0.01547 -0.01315 D39 0.02034 -0.00000 -0.00001 -0.00071 0.00086 0.02120 D40 -3.14080 -0.00152 -0.00303 -0.02817 -0.03104 3.11134 D41 -0.06284 -0.00012 -0.00529 -0.00260 -0.00779 -0.07063 D42 3.08051 0.00078 -0.00313 0.01350 0.01028 3.09079 D43 3.11878 -0.00011 -0.00126 -0.00655 -0.00643 3.11235 D44 -0.02406 -0.00093 -0.00379 -0.02149 -0.02330 -0.04736 D45 -0.00455 0.00093 0.00135 0.01723 0.01799 0.01344 D46 3.13580 0.00011 -0.00118 0.00229 0.00112 3.13692 D47 0.00513 -0.00036 -0.00006 -0.00604 -0.00659 -0.00146 D48 -3.13505 0.00058 0.00278 0.01100 0.01388 -3.12116 D49 0.00032 0.00016 -0.00033 0.00224 0.00189 0.00221 D50 -3.13641 -0.00023 -0.00149 -0.00523 -0.00686 3.13992 D51 -0.01069 0.00022 -0.00008 0.00389 0.00389 -0.00679 D52 3.12607 0.00063 0.00115 0.01145 0.01244 3.13852 D53 3.12923 -0.00044 -0.00252 -0.00733 -0.01003 3.11919 D54 -0.00840 0.00003 -0.00200 0.00047 -0.00134 -0.00974 D55 3.12626 0.00162 0.00401 0.02972 0.03359 -3.12334 D56 -0.05335 0.00131 0.00324 0.02255 0.02573 -0.02762 D57 -0.01923 0.00119 0.00359 0.02225 0.02590 0.00667 D58 3.08435 0.00088 0.00282 0.01508 0.01805 3.10240 D59 -0.00527 0.00022 -0.00032 0.00318 0.00288 -0.00240 D60 3.12036 0.00081 0.00138 0.01532 0.01666 3.13702 D61 -3.14123 0.00005 0.00072 0.00060 0.00136 -3.13987 D62 -0.01560 0.00065 0.00242 0.01274 0.01515 -0.00045 D63 -3.13970 0.00048 0.00140 0.00816 0.00956 -3.13014 D64 1.02603 0.00192 0.00510 0.02373 0.02970 1.05572 D65 -1.02145 -0.00148 -0.00382 -0.01309 -0.01779 -1.03923 D66 0.01795 -0.00012 -0.00027 -0.00404 -0.00430 0.01365 D67 -2.09952 0.00132 0.00343 0.01154 0.01584 -2.08367 D68 2.13620 -0.00207 -0.00549 -0.02529 -0.03164 2.10455 D69 -2.63565 0.00251 0.00706 0.03227 0.03957 -2.59608 D70 1.57181 0.00056 0.00191 0.01058 0.01258 1.58439 D71 -0.51241 -0.00188 -0.00517 -0.01646 -0.02202 -0.53443 D72 0.48978 0.00310 0.00874 0.04449 0.05351 0.54329 D73 -1.58594 0.00114 0.00359 0.02280 0.02652 -1.55942 D74 2.61302 -0.00129 -0.00350 -0.00423 -0.00808 2.60494 D75 -3.07827 0.00053 0.00153 0.00609 0.00759 -3.07068 D76 1.10020 0.00226 0.00618 0.02486 0.03227 1.13247 D77 -0.96068 -0.00273 -0.00702 -0.02986 -0.03801 -0.99869 D78 0.10191 0.00086 0.00239 0.01342 0.01574 0.11764 D79 -2.00280 0.00260 0.00704 0.03219 0.04041 -1.96240 D80 2.21949 -0.00240 -0.00616 -0.02253 -0.02986 2.18963 D81 2.96670 -0.00054 -0.00165 -0.00163 -0.00310 2.96360 D82 0.84166 0.00262 0.00637 0.03331 0.04020 0.88187 D83 -1.21590 -0.00051 -0.00136 -0.00094 -0.00284 -1.21874 D84 -0.21333 -0.00099 -0.00269 -0.00945 -0.01206 -0.22539 D85 -2.33837 0.00217 0.00533 0.02549 0.03124 -2.30713 D86 1.88726 -0.00095 -0.00240 -0.00877 -0.01180 1.87545 Item Value Threshold Converged? Maximum Force 0.049975 0.000450 NO RMS Force 0.008780 0.000300 NO Maximum Displacement 0.517273 0.001800 NO RMS Displacement 0.169804 0.001200 NO Predicted change in Energy=-3.317093D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.967310 -4.764163 2.209106 2 6 0 7.048564 -5.433914 3.560389 3 8 0 7.232515 -5.647071 1.165205 4 7 0 3.014658 -0.836326 -0.076923 5 6 0 4.191156 -1.398156 0.272103 6 6 0 4.388358 -2.629397 0.955490 7 7 0 3.560728 -3.616453 1.470860 8 6 0 4.395775 -4.476706 1.980760 9 7 0 5.728915 -4.134654 1.852592 10 6 0 5.717934 -2.944049 1.178276 11 7 0 6.784149 -2.234633 0.834890 12 6 0 6.407499 -1.156416 0.232870 13 7 0 5.237229 -0.688993 -0.066097 14 1 0 7.662745 -3.957335 2.182390 15 1 0 8.055894 -5.795703 3.696632 16 1 0 6.834590 -4.740884 4.357339 17 7 0 4.119135 -5.671804 2.600837 18 1 0 6.372357 -6.251556 3.618454 19 1 0 8.064103 -5.985379 1.302839 20 6 0 2.889627 -5.979005 2.779780 21 1 0 7.183053 -0.491321 -0.096219 22 6 0 1.956897 -1.515240 0.080813 23 1 0 1.917817 -2.540825 0.468783 24 7 0 0.754977 -1.017309 -0.230462 25 6 0 0.665820 0.338283 -0.759813 26 6 0 -0.437373 -1.823540 -0.043025 27 1 0 -0.366509 0.558919 -0.935146 28 1 0 1.209997 0.448009 -1.681266 29 1 0 1.062711 1.066788 -0.076855 30 1 0 -1.169894 -1.563067 -0.777804 31 1 0 -0.899912 -1.707642 0.928341 32 1 0 -0.211134 -2.865356 -0.173534 33 7 0 2.474447 -7.116413 3.344644 34 1 0 2.066652 -5.328952 2.469013 35 6 0 1.036102 -7.348304 3.465649 36 6 0 3.450192 -8.115426 3.770229 37 1 0 0.878311 -8.257112 3.995855 38 1 0 0.537085 -7.443172 2.513468 39 1 0 0.541857 -6.564776 4.015414 40 1 0 2.945817 -8.858575 4.350668 41 1 0 4.213210 -7.669286 4.373633 42 1 0 3.938638 -8.600086 2.939825 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.510342 0.000000 3 O 1.392691 2.411676 0.000000 4 N 6.023064 7.116197 6.517397 0.000000 5 C 4.773785 5.938430 5.301016 1.349674 0.000000 6 C 3.574881 4.661278 4.152055 2.483552 1.421922 7 N 3.669748 4.453572 4.207000 3.228456 2.599096 8 C 2.597609 3.232456 3.175213 4.403852 3.526875 9 N 1.434227 2.519151 2.240696 4.687130 3.514409 10 C 2.436466 3.693842 3.098460 3.650441 2.354142 11 N 2.884535 4.211136 3.457582 4.122587 2.782092 12 C 4.151474 5.457136 4.660030 3.421958 2.229832 13 N 4.977624 6.240722 5.484505 2.227476 1.308266 14 H 1.065512 2.111015 2.018656 6.037376 4.717046 15 H 2.112303 1.078966 2.666115 8.015560 6.782479 16 H 2.152455 1.077592 3.342041 7.035633 5.903450 17 N 3.014857 3.091745 3.428525 5.636676 4.867469 18 H 2.133675 1.062623 2.669027 7.365777 6.285793 19 H 1.875004 2.536132 0.908259 7.342574 6.091367 20 C 4.292903 4.266525 4.645181 5.884177 5.382063 21 H 4.859861 6.149642 5.308049 4.182692 3.147929 22 C 6.339509 7.306746 6.788230 1.266753 2.245487 23 H 5.785270 6.652260 6.195142 2.099088 2.551949 24 N 7.653985 8.572409 8.083382 2.272110 3.493557 25 C 8.634710 9.629217 9.091294 2.713500 4.063011 26 C 8.279414 9.058623 8.654847 3.590578 4.658705 27 H 9.591998 10.540739 10.033490 3.757065 5.104889 28 H 8.686104 9.806164 9.029015 2.735002 4.013887 29 H 8.607549 9.556103 9.202450 2.726159 3.998111 30 H 9.240279 10.067097 9.542267 4.304633 5.465378 31 H 8.536736 9.164663 9.039445 4.134441 5.142509 32 H 7.798237 8.558206 8.058415 3.812090 4.661697 33 N 5.196956 4.878514 5.435820 7.172060 6.714616 34 H 4.939939 5.101135 5.337345 5.250161 4.979065 35 C 6.590592 6.310591 6.825083 7.672701 7.453680 36 C 5.102763 4.492530 5.213914 8.244730 7.609706 37 H 7.243554 6.799420 7.429724 8.730381 8.478593 38 H 6.972627 6.894384 7.062052 7.516575 7.410679 39 H 6.913133 6.619905 7.330128 7.461709 7.350083 40 H 6.125594 5.402350 6.231911 9.163230 8.593219 41 H 4.550822 3.701012 4.847635 8.242167 7.493337 42 H 4.941772 4.481226 4.766466 8.380363 7.684289 6 7 8 9 10 6 C 0.000000 7 N 1.387392 0.000000 8 C 2.112766 1.302819 0.000000 9 N 2.206283 2.261700 1.382277 0.000000 10 C 1.384346 2.278437 2.177413 1.368344 0.000000 11 N 2.431090 3.564313 3.470482 2.399858 1.325895 12 C 2.601689 3.960872 4.257520 3.457438 2.136567 13 N 2.351466 3.707144 4.386848 3.974381 2.620079 14 H 3.740363 4.177203 3.314136 1.969748 2.411905 15 H 5.566882 5.468977 4.252111 3.402117 4.465435 16 H 4.692014 4.507136 3.415514 2.804244 3.818635 17 N 3.469277 2.411044 1.374512 2.348210 3.467057 18 H 4.914027 4.411483 3.120739 2.830823 4.162012 19 H 4.989426 5.091211 4.023966 3.029936 3.843139 20 C 4.098060 2.783038 2.272403 3.510394 4.446920 21 H 3.672572 5.034225 5.288294 4.380212 3.128383 22 C 2.813967 2.986570 4.281145 4.922261 4.170290 23 H 2.519584 2.204607 3.489124 4.356569 3.886755 24 N 4.148104 4.185963 5.487471 6.228725 5.507069 25 C 5.060304 5.384824 6.678878 7.243394 6.328803 26 C 4.993407 4.635859 5.873185 6.852570 6.374552 27 H 6.028981 6.216573 7.519266 8.182622 7.331969 28 H 5.150233 5.655236 6.914654 7.342315 6.324914 29 H 5.078134 5.528857 6.787740 7.249223 6.271624 30 H 5.919082 5.625982 6.861169 7.818288 7.292157 31 H 5.368069 4.882130 6.067915 7.119408 6.736992 32 H 4.741908 4.182716 5.334888 6.403162 6.081729 33 N 5.431798 4.115920 3.538324 4.659257 5.711566 34 H 3.868936 2.482181 2.527751 3.901089 4.548146 35 C 6.309246 4.927436 4.662442 5.912021 6.822689 36 C 6.236940 5.053719 4.163726 4.971565 6.213214 37 H 7.296260 5.925088 5.542980 6.716889 7.719414 38 H 6.358618 4.987306 4.896242 6.191781 6.990426 39 H 6.296500 4.927570 4.832446 6.122815 6.924652 40 H 7.239531 6.012591 5.188412 6.025068 7.261565 41 H 6.092196 5.027651 3.993963 4.598547 5.899353 42 H 6.307849 5.209345 4.258056 4.932266 6.185443 11 12 13 14 15 11 N 0.000000 12 C 1.291063 0.000000 13 N 2.365109 1.295143 0.000000 14 H 2.356988 3.636127 4.649826 0.000000 15 H 4.742165 6.019787 6.941289 2.413937 0.000000 16 H 4.323365 5.481063 6.207750 2.455645 1.743778 17 N 4.694147 5.588613 5.761169 3.958746 4.088299 18 H 4.904434 6.117504 6.768052 2.998471 1.745913 19 H 3.990659 5.216134 6.157671 2.246701 2.401310 20 C 5.741971 6.489956 6.449378 5.217919 5.250194 21 H 2.016240 1.073376 1.956070 4.175574 6.579061 22 C 4.938473 4.467631 3.385978 6.552645 8.282166 23 H 4.889681 4.704199 3.838473 6.160126 7.660890 24 N 6.242416 5.673185 4.497265 7.885611 9.568621 25 C 6.826193 6.015515 4.736488 8.721574 10.587676 26 C 7.286296 6.882836 5.786954 8.667033 10.094488 27 H 7.878379 7.084759 5.806411 9.725456 11.522650 28 H 6.678232 5.766466 4.485549 8.716241 10.713172 29 H 6.668246 5.797010 4.528740 8.596886 10.499410 30 H 8.143623 7.655306 6.505518 9.618253 11.092834 31 H 7.702677 7.361099 6.300083 8.941636 10.226541 32 H 7.095682 6.847768 5.867943 8.291005 9.586911 33 N 6.978838 7.789326 7.783178 6.184582 5.746366 34 H 5.873666 6.422876 6.165108 5.768860 6.131552 35 C 8.130840 8.811482 8.629549 7.553662 7.193150 36 C 7.369886 8.347838 8.547679 6.128341 5.157424 37 H 9.007823 9.754581 9.632032 8.234397 7.593798 38 H 8.304957 8.898662 8.623482 7.939503 7.787588 39 H 8.236024 8.829708 8.557458 7.801652 7.560017 40 H 8.424375 9.394826 9.565587 7.139537 5.993483 41 H 6.976237 8.023608 8.335725 5.520817 4.328379 42 H 7.283315 8.296451 8.561968 5.999818 5.038761 16 17 18 19 20 16 H 0.000000 17 N 3.365353 0.000000 18 H 1.744059 2.539421 0.000000 19 H 3.520005 4.164840 2.880091 0.000000 20 C 4.425423 1.279877 3.592640 5.381133 0.000000 21 H 6.165581 6.595385 6.901908 5.737446 7.537875 22 C 7.244676 5.320039 7.378609 7.666385 5.299019 23 H 6.643477 4.381152 6.597945 7.094888 4.255139 24 N 8.477890 6.402979 8.588739 8.969730 6.183584 25 C 9.488777 7.703278 9.754986 9.948760 7.575101 26 C 8.986408 6.523872 8.909891 9.560719 6.025367 27 H 10.390097 8.452578 10.608022 10.904660 8.194360 28 H 9.748098 8.015710 9.981040 9.862664 8.001788 29 H 9.311590 7.868951 9.767589 10.032752 7.819283 30 H 10.026963 7.501385 9.909317 10.447614 6.973997 31 H 8.987831 6.610799 8.987199 9.939459 6.002747 32 H 8.584208 5.858713 8.317924 8.966257 5.294487 33 N 5.067498 2.311957 4.002081 6.057430 1.336093 34 H 5.161863 2.085094 4.550990 6.144939 1.093816 35 C 6.419985 3.614366 5.449937 7.478509 2.404360 36 C 4.815224 2.790386 3.469308 5.649184 2.420644 37 H 6.926167 4.374110 5.860821 8.003044 3.273225 38 H 7.096534 3.997057 6.057338 7.761880 2.783732 39 H 6.560639 3.949095 5.852385 8.017353 2.716973 40 H 5.663743 3.820222 4.367363 6.613725 3.280666 41 H 3.930323 2.672375 2.691128 5.205256 2.673815 42 H 5.028849 2.953359 3.449509 5.151298 2.827738 21 22 23 24 25 21 H 0.000000 22 C 5.328457 0.000000 23 H 5.678239 1.097211 0.000000 24 N 6.450956 1.337699 2.040157 0.000000 25 C 6.603251 2.410203 3.371380 1.458009 0.000000 26 C 7.736182 2.417211 2.514629 1.451496 2.530671 27 H 7.668290 3.276053 4.098483 2.058835 1.070105 28 H 6.250769 2.741739 3.749247 2.111642 1.075753 29 H 6.315589 2.737024 3.747506 2.112287 1.074558 30 H 8.448960 3.242890 3.470440 2.074263 2.642972 31 H 8.237929 2.986081 2.974051 2.134957 3.080128 32 H 7.766338 2.566683 2.247292 2.086119 3.372844 33 N 8.826231 6.503353 5.432902 7.275784 8.700011 34 H 7.494040 4.501104 3.434636 5.253372 6.671221 35 C 9.873708 6.806585 5.733278 7.336331 8.779251 36 C 9.327950 7.707411 6.657620 8.582132 9.986952 37 H 10.807513 7.870434 6.796819 8.384015 9.825596 38 H 9.965319 6.563082 5.488184 6.990590 8.442865 39 H 9.894335 6.556008 5.537512 6.989083 8.394664 40 H 10.379784 8.551853 7.485972 9.341947 10.765574 41 H 8.962295 7.835275 6.842353 8.798060 10.151719 42 H 9.246397 7.892800 6.848680 8.813905 10.212399 26 27 28 29 30 26 C 0.000000 27 H 2.544997 0.000000 28 H 3.249245 1.747674 0.000000 29 H 3.256592 1.742775 1.725896 0.000000 30 H 1.069736 2.274425 3.244157 3.520227 0.000000 31 H 1.082093 2.982348 3.988558 3.543977 1.733414 32 H 1.074057 3.511389 3.907846 4.134463 1.726361 33 N 6.926002 9.235711 9.169466 8.981339 7.817638 34 H 4.986821 7.223267 7.164632 6.956639 5.932870 35 C 6.708572 9.157427 9.343632 9.130378 7.506150 36 C 8.321172 10.580738 10.395658 10.237831 9.217550 37 H 7.709372 10.177757 10.398021 10.176251 8.473087 38 H 6.250239 8.760301 8.962106 8.910975 6.951395 39 H 6.317368 8.722396 9.059676 8.675179 7.135974 40 H 8.957802 11.296040 11.225409 11.030044 9.821647 41 H 8.677991 10.810195 10.562745 10.298130 9.633329 42 H 8.600491 10.836838 10.519886 10.527097 9.457141 31 32 33 34 35 31 H 0.000000 32 H 1.740358 0.000000 33 N 6.817597 6.136889 0.000000 34 H 4.928291 4.270909 2.031760 0.000000 35 C 6.480983 5.907289 1.461934 2.476509 0.000000 36 C 8.249814 7.518099 1.459872 3.372208 2.551289 37 H 7.447635 6.902298 2.067104 3.509633 1.063931 38 H 6.121592 5.360616 2.133307 2.609881 1.079197 39 H 5.932998 5.639148 2.118759 2.498723 1.077235 40 H 8.811231 8.145760 2.066253 4.095339 2.590596 41 H 8.576436 7.957970 2.094703 3.703033 3.319861 42 H 8.658142 7.733094 2.123445 3.798199 3.204398 36 37 38 39 40 36 C 0.000000 37 H 2.585644 0.000000 38 H 3.243080 1.725226 0.000000 39 H 3.305003 1.725567 1.739955 0.000000 40 H 1.069380 2.182254 3.343749 3.339600 0.000000 41 H 1.070203 3.407317 4.126165 3.850597 1.738166 42 H 1.078445 3.255524 3.618121 4.103352 1.744416 41 42 41 H 0.000000 42 H 1.731352 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.381730 -2.351430 -0.029352 2 6 0 3.576172 -1.995142 -0.882288 3 8 0 2.708841 -2.455972 1.320336 4 7 0 -3.302587 -0.360523 -0.075474 5 6 0 -2.253271 -1.209334 -0.066784 6 6 0 -0.872157 -0.871201 -0.059706 7 7 0 -0.144591 0.310113 -0.060081 8 6 0 1.093287 -0.096081 -0.059111 9 7 0 1.251513 -1.469252 -0.066493 10 6 0 -0.023775 -1.965113 -0.055279 11 7 0 -0.359835 -3.247694 -0.062152 12 6 0 -1.646392 -3.354985 -0.072359 13 7 0 -2.594180 -2.472346 -0.078770 14 1 0 1.976390 -3.274921 -0.373125 15 1 0 4.303338 -2.786973 -0.790632 16 1 0 3.306884 -1.911090 -1.922299 17 7 0 2.240733 0.660128 -0.030802 18 1 0 4.011830 -1.081089 -0.559988 19 1 0 3.352719 -3.092400 1.393247 20 6 0 2.116225 1.932942 -0.081072 21 1 0 -2.047641 -4.350510 -0.080376 22 6 0 -3.073798 0.875771 0.079111 23 1 0 -2.082383 1.318786 0.236288 24 7 0 -4.063570 1.775580 0.067546 25 6 0 -5.433732 1.318244 -0.130672 26 6 0 -3.768231 3.184527 0.253242 27 1 0 -6.074456 2.175270 -0.120569 28 1 0 -5.746806 0.636375 0.640227 29 1 0 -5.558340 0.805875 -1.066954 30 1 0 -4.588762 3.665048 0.743307 31 1 0 -3.583722 3.721588 -0.667870 32 1 0 -2.905255 3.308280 0.880582 33 7 0 3.140408 2.789844 -0.037346 34 1 0 1.144263 2.429388 -0.153640 35 6 0 2.851174 4.222221 -0.080822 36 6 0 4.503186 2.287355 0.109524 37 1 0 3.770314 4.757340 -0.108720 38 1 0 2.302900 4.573647 0.779737 39 1 0 2.291020 4.498371 -0.958548 40 1 0 5.183834 3.095631 -0.054737 41 1 0 4.704799 1.518855 -0.607478 42 1 0 4.690609 1.872708 1.087269 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3254910 0.1971198 0.1259849 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1832.2585717192 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.83D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999329 0.002303 0.001366 0.036528 Ang= 4.20 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.35766570 A.U. after 15 cycles NFock= 15 Conv=0.67D-08 -V/T= 2.0007 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.006743468 -0.004086065 -0.008203725 2 6 -0.002128301 0.004083047 -0.000635309 3 8 -0.037004636 0.009939301 -0.004968416 4 7 -0.017606056 0.007121823 -0.002301750 5 6 -0.007823718 -0.021688483 0.011260497 6 6 0.011706478 0.017934288 -0.009584249 7 7 0.021968798 -0.009134082 0.006330421 8 6 0.000188229 -0.009735833 0.002195194 9 7 -0.024256819 0.018547652 0.004437084 10 6 -0.001324670 -0.006225751 0.004193101 11 7 -0.011651549 -0.021565376 0.011549442 12 6 0.043228205 0.038315138 -0.018496378 13 7 -0.009584110 0.001812356 -0.001916540 14 1 0.009542417 0.006754798 -0.000197170 15 1 0.005334264 -0.001542615 0.001107729 16 1 -0.001056802 0.004130275 0.002953233 17 7 -0.011346736 -0.004803480 0.003279345 18 1 -0.007164945 -0.010094866 0.001288595 19 1 0.048031804 -0.022630651 0.002322002 20 6 -0.005428026 0.008517453 -0.006617657 21 1 0.009799098 -0.002271409 0.001535209 22 6 -0.019962611 -0.016710955 0.004288286 23 1 0.003658195 0.013907052 -0.005269022 24 7 -0.001815693 0.002343945 -0.002311223 25 6 -0.001903324 -0.005324034 0.003218148 26 6 0.003798038 0.004083052 0.000897583 27 1 -0.008404411 0.002452295 -0.001850951 28 1 0.003104390 -0.003691538 -0.004572191 29 1 0.002421396 0.001191397 0.006667310 30 1 -0.005527697 0.002599453 -0.007636462 31 1 0.001499471 0.003911864 0.004730725 32 1 0.003236216 -0.005978695 -0.000733495 33 7 0.000675699 0.000041076 0.000054586 34 1 0.009890288 -0.002673928 0.002206091 35 6 0.007452767 0.001882825 -0.002406895 36 6 -0.006511941 0.003540290 -0.003848145 37 1 -0.001127590 -0.010632701 0.006636660 38 1 0.002178911 -0.000084049 -0.006428484 39 1 0.001087973 0.005657434 0.003321687 40 1 -0.004030997 -0.006058793 0.004749075 41 1 0.004240911 0.005901407 0.004863014 42 1 -0.000639452 0.000265085 -0.006106953 ------------------------------------------------------------------- Cartesian Forces: Max 0.048031804 RMS 0.010945195 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.052758518 RMS 0.008543913 Search for a local minimum. Step number 3 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -1.14D-02 DEPred=-3.32D-02 R= 3.45D-01 Trust test= 3.45D-01 RLast= 6.55D-01 DXMaxT set to 5.05D-01 ITU= 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00933 0.01105 0.01185 0.01196 Eigenvalues --- 0.01201 0.01212 0.01264 0.01464 0.01485 Eigenvalues --- 0.01540 0.01760 0.02041 0.02146 0.02251 Eigenvalues --- 0.02272 0.02322 0.02328 0.02351 0.02593 Eigenvalues --- 0.02604 0.02701 0.02731 0.02847 0.02933 Eigenvalues --- 0.03296 0.03480 0.04361 0.04975 0.05396 Eigenvalues --- 0.05765 0.07090 0.07130 0.07365 0.07390 Eigenvalues --- 0.07580 0.07632 0.07725 0.07745 0.08837 Eigenvalues --- 0.15811 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16006 0.16433 0.18868 Eigenvalues --- 0.20333 0.21951 0.22021 0.23515 0.24013 Eigenvalues --- 0.24953 0.24976 0.24981 0.24993 0.24996 Eigenvalues --- 0.24998 0.24999 0.25000 0.25000 0.25000 Eigenvalues --- 0.26893 0.27644 0.32744 0.33148 0.33292 Eigenvalues --- 0.33312 0.33468 0.33496 0.33565 0.33595 Eigenvalues --- 0.33612 0.33624 0.33657 0.33682 0.33705 Eigenvalues --- 0.33769 0.33790 0.34059 0.34696 0.37254 Eigenvalues --- 0.37457 0.38110 0.39027 0.39811 0.39860 Eigenvalues --- 0.40090 0.40385 0.40637 0.40858 0.42062 Eigenvalues --- 0.42897 0.46813 0.48411 0.49421 0.50993 Eigenvalues --- 0.52144 0.54590 0.58930 0.59295 0.66439 Eigenvalues --- 0.68950 0.71342 0.74725 0.75975 0.90078 RFO step: Lambda=-7.46453353D-03 EMin= 2.30154495D-03 Quartic linear search produced a step of -0.40221. Iteration 1 RMS(Cart)= 0.07650049 RMS(Int)= 0.00163510 Iteration 2 RMS(Cart)= 0.00332603 RMS(Int)= 0.00033642 Iteration 3 RMS(Cart)= 0.00000920 RMS(Int)= 0.00033639 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00033639 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85413 0.00547 0.02207 -0.00716 0.01492 2.86905 R2 2.63180 0.01213 0.02421 -0.00143 0.02277 2.65458 R3 2.71030 0.01194 0.01045 0.01045 0.02091 2.73120 R4 2.01353 0.01135 0.02360 0.00090 0.02450 2.03802 R5 2.03895 0.00564 0.01159 0.00036 0.01196 2.05091 R6 2.03635 0.00505 0.01226 -0.00123 0.01103 2.04738 R7 2.00807 0.01240 0.02012 0.00486 0.02498 2.03305 R8 1.71636 0.05276 0.05952 0.02254 0.08206 1.79842 R9 2.55051 0.03641 0.05473 0.00932 0.06405 2.61457 R10 2.39382 0.01695 0.00702 0.00835 0.01537 2.40918 R11 2.68704 -0.00529 0.00837 -0.01656 -0.00816 2.67888 R12 2.47226 0.03245 -0.01910 0.04074 0.02176 2.49402 R13 2.62179 0.00087 -0.01203 0.00980 -0.00224 2.61955 R14 2.61603 -0.00249 -0.04755 0.03189 -0.01568 2.60036 R15 2.46197 -0.01517 -0.01157 -0.00428 -0.01594 2.44603 R16 2.61213 -0.00899 0.00573 -0.01628 -0.01060 2.60152 R17 2.59745 -0.00077 0.00124 -0.00225 -0.00101 2.59644 R18 2.58579 0.00860 0.00098 0.00990 0.01094 2.59674 R19 2.50558 0.00364 0.01854 -0.01117 0.00725 2.51283 R20 2.43976 0.02800 -0.00552 0.02883 0.02327 2.46303 R21 2.44747 0.03553 0.09072 -0.01400 0.07679 2.52425 R22 2.02839 0.00520 -0.00332 0.01079 0.00747 2.03585 R23 2.41862 -0.00951 -0.00297 -0.00508 -0.00805 2.41056 R24 2.52485 -0.00112 -0.00277 0.00098 -0.00178 2.52306 R25 2.06701 -0.00966 -0.02833 0.00859 -0.01974 2.04727 R26 2.07343 -0.01499 -0.03782 0.00921 -0.02861 2.04482 R27 2.52788 0.00419 0.00771 -0.00138 0.00634 2.53422 R28 2.75524 -0.00596 -0.01340 0.00199 -0.01141 2.74382 R29 2.74293 -0.00539 -0.00355 -0.00525 -0.00880 2.73413 R30 2.02221 0.00892 0.01725 0.00147 0.01872 2.04092 R31 2.03288 0.00511 0.01279 -0.00160 0.01119 2.04407 R32 2.03062 0.00594 0.01427 -0.00133 0.01293 2.04355 R33 2.02151 0.00966 0.01850 0.00184 0.02034 2.04185 R34 2.04486 0.00402 0.01146 -0.00233 0.00913 2.05399 R35 2.02967 0.00657 0.01373 0.00017 0.01389 2.04357 R36 2.76265 -0.00884 -0.01202 -0.00349 -0.01550 2.74715 R37 2.75876 -0.00724 -0.01194 -0.00114 -0.01308 2.74568 R38 2.01054 0.01256 0.02237 0.00384 0.02621 2.03675 R39 2.03939 0.00467 0.01231 -0.00191 0.01040 2.04978 R40 2.03568 0.00531 0.01292 -0.00131 0.01161 2.04729 R41 2.02084 0.00869 0.01662 0.00151 0.01813 2.03897 R42 2.02239 0.00823 0.01674 0.00062 0.01736 2.03975 R43 2.03797 0.00429 0.01181 -0.00219 0.00962 2.04759 A1 1.95978 -0.00356 -0.02049 0.01445 -0.00540 1.95439 A2 2.05272 -0.01304 -0.03274 -0.00620 -0.03910 2.01362 A3 1.89980 0.00327 0.00989 -0.01367 -0.00481 1.89500 A4 1.83005 0.01272 0.01901 0.02946 0.05007 1.88012 A5 1.91449 -0.00160 -0.00848 0.01049 0.00271 1.91720 A6 1.79771 0.00307 0.03572 -0.03646 -0.00155 1.79615 A7 1.88798 0.00029 0.00661 -0.00773 -0.00119 1.88679 A8 1.94529 -0.00205 -0.00961 0.00161 -0.00793 1.93736 A9 1.93463 0.00168 -0.00686 0.01538 0.00860 1.94324 A10 1.88351 0.00032 0.00838 -0.01244 -0.00415 1.87936 A11 1.90625 -0.00062 0.00092 -0.00206 -0.00119 1.90506 A12 1.90508 0.00035 0.00096 0.00429 0.00545 1.91053 A13 1.87224 0.01094 0.01515 0.02453 0.03968 1.91192 A14 2.06301 0.02143 0.04008 0.01209 0.05217 2.11518 A15 2.22135 0.00094 -0.01063 0.00943 -0.00128 2.22007 A16 1.98723 0.00963 0.02268 0.00518 0.02777 2.01500 A17 2.07456 -0.01058 -0.01207 -0.01459 -0.02649 2.04806 A18 2.36291 -0.00673 -0.02788 0.01160 -0.01630 2.34661 A19 1.99036 0.01684 0.03890 -0.00321 0.03562 2.02597 A20 1.92991 -0.01011 -0.01103 -0.00838 -0.01931 1.91060 A21 1.80575 0.01607 0.02824 0.00621 0.03435 1.84010 A22 2.00257 -0.00940 -0.03138 0.00225 -0.02921 1.97336 A23 2.24167 -0.00352 -0.02325 0.01141 -0.01176 2.22991 A24 2.03879 0.01292 0.05469 -0.01382 0.04093 2.07972 A25 2.34774 -0.01527 -0.03147 -0.00779 -0.03925 2.30849 A26 2.10753 0.00835 0.02966 -0.00692 0.02242 2.12995 A27 1.82685 0.00690 0.00217 0.01264 0.01467 1.84152 A28 1.85958 -0.00346 0.01203 -0.01296 -0.00067 1.85891 A29 2.22565 -0.00060 -0.02960 0.01586 -0.01395 2.21170 A30 2.19780 0.00407 0.01763 -0.00317 0.01445 2.21225 A31 1.91028 0.01333 0.04620 -0.00565 0.04034 1.95062 A32 2.30858 -0.02845 -0.05700 -0.01356 -0.07052 2.23806 A33 2.03717 0.00536 0.01149 -0.00833 0.00314 2.04031 A34 1.93743 0.02309 0.04551 0.02188 0.06738 2.00480 A35 2.05690 0.00946 0.01355 0.02118 0.03502 2.09193 A36 2.05456 -0.00669 0.00044 -0.02020 -0.01976 2.03479 A37 2.16754 -0.00608 -0.01913 0.00151 -0.01762 2.14992 A38 2.14172 -0.00106 -0.01773 0.01057 -0.00717 2.13456 A39 1.97386 0.00715 0.03688 -0.01205 0.02483 1.99870 A40 2.18307 -0.00361 -0.01922 0.00577 -0.01346 2.16961 A41 2.11974 0.00076 -0.00780 0.00949 0.00168 2.12143 A42 1.98036 0.00285 0.02702 -0.01526 0.01175 1.99211 A43 2.07774 0.00120 0.00228 0.00080 0.00298 2.08072 A44 2.09587 0.00259 -0.00027 0.00627 0.00590 2.10177 A45 2.10957 -0.00379 -0.00205 -0.00700 -0.00915 2.10042 A46 1.88617 0.00296 0.01425 -0.00435 0.00980 1.89598 A47 1.95507 -0.00528 -0.01681 -0.00225 -0.01883 1.93625 A48 1.95735 -0.00488 -0.01709 -0.00046 -0.01732 1.94003 A49 1.90352 0.00137 0.00760 -0.00339 0.00411 1.90763 A50 1.89723 0.00141 0.01006 -0.00552 0.00444 1.90167 A51 1.86337 0.00466 0.00217 0.01579 0.01849 1.88186 A52 1.91619 0.00001 -0.00080 0.00027 -0.00037 1.91582 A53 1.99058 -0.00636 -0.02643 0.00386 -0.02226 1.96832 A54 1.92842 -0.00110 -0.00295 -0.00202 -0.00477 1.92365 A55 1.87319 0.00321 0.00536 0.00768 0.01331 1.88651 A56 1.87230 0.00137 0.02194 -0.01934 0.00266 1.87496 A57 1.87864 0.00344 0.00454 0.00832 0.01319 1.89183 A58 2.06662 0.00413 0.00943 0.00120 0.01059 2.07720 A59 2.09221 -0.00123 -0.00356 0.00004 -0.00355 2.08866 A60 2.12341 -0.00292 -0.00575 -0.00203 -0.00781 2.11561 A61 1.89933 0.00111 0.00828 -0.00637 0.00178 1.90111 A62 1.97779 -0.00587 -0.02297 0.00230 -0.02023 1.95756 A63 1.95873 -0.00428 -0.01516 0.00001 -0.01467 1.94406 A64 1.87133 0.00276 0.01523 -0.00632 0.00875 1.88008 A65 1.87436 0.00212 0.01810 -0.01257 0.00544 1.87980 A66 1.87766 0.00486 -0.00183 0.02182 0.02091 1.89857 A67 1.89499 0.00185 0.00949 -0.00358 0.00589 1.90088 A68 1.93438 -0.00306 -0.00695 -0.00423 -0.01096 1.92341 A69 1.96685 -0.00576 -0.02111 0.00055 -0.02041 1.94645 A70 1.89646 0.00119 0.01272 -0.00994 0.00283 1.89929 A71 1.89574 0.00203 0.00565 0.00185 0.00742 1.90316 A72 1.87400 0.00403 0.00058 0.01508 0.01602 1.89002 D1 1.08048 -0.00147 -0.00889 0.04233 0.03397 1.11445 D2 -3.13475 -0.00210 -0.00025 0.02321 0.02357 -3.11117 D3 -1.00902 -0.00189 -0.00998 0.04055 0.03104 -0.97799 D4 -3.07678 0.00256 -0.02335 0.09076 0.06686 -3.00993 D5 -1.00882 0.00192 -0.01471 0.07164 0.05646 -0.95236 D6 1.11690 0.00213 -0.02445 0.08897 0.06392 1.18082 D7 -1.04274 0.00062 0.00827 0.02909 0.03735 -1.00539 D8 1.02522 -0.00001 0.01690 0.00997 0.02695 1.05218 D9 -3.13224 0.00019 0.00717 0.02731 0.03442 -3.09782 D10 -1.01976 -0.00379 -0.00782 -0.01613 -0.02325 -1.04301 D11 3.01502 0.00578 0.03301 -0.03972 -0.00686 3.00816 D12 1.09504 -0.00312 -0.01393 -0.01657 -0.03105 1.06399 D13 -0.74198 -0.00012 0.04123 -0.14763 -0.10591 -0.84789 D14 2.45754 0.00024 0.02720 -0.09171 -0.06432 2.39322 D15 1.44942 -0.00339 0.00770 -0.10826 -0.09990 1.34951 D16 -1.63425 -0.00302 -0.00633 -0.05233 -0.05831 -1.69257 D17 -2.83060 0.00086 0.02298 -0.10015 -0.07785 -2.90846 D18 0.36892 0.00122 0.00895 -0.04422 -0.03626 0.33265 D19 -0.14105 -0.00112 0.00999 -0.06021 -0.05016 -0.19121 D20 3.01205 -0.00085 0.01224 -0.06226 -0.05008 2.96197 D21 -0.01678 0.00001 -0.00244 0.00570 0.00326 -0.01352 D22 3.12943 0.00034 -0.00192 0.00982 0.00789 3.13732 D23 -0.00113 0.00001 -0.00004 0.00115 0.00126 0.00013 D24 -3.13857 0.00016 0.00193 -0.00207 -0.00019 -3.13877 D25 3.12845 -0.00015 -0.00209 0.00341 0.00149 3.12994 D26 -0.00900 -0.00001 -0.00013 0.00019 0.00004 -0.00896 D27 3.14094 -0.00020 -0.00024 -0.00371 -0.00390 3.13704 D28 0.00981 -0.00002 0.00183 -0.00573 -0.00397 0.00584 D29 -3.13506 -0.00003 -0.00077 0.00013 -0.00077 -3.13583 D30 0.00248 -0.00012 -0.00248 0.00327 0.00071 0.00320 D31 3.12807 0.00015 0.00463 -0.00951 -0.00464 3.12342 D32 0.00497 0.00000 -0.00234 0.00600 0.00332 0.00829 D33 -0.01041 0.00027 0.00626 -0.01197 -0.00572 -0.01613 D34 -3.13351 0.00012 -0.00071 0.00354 0.00225 -3.13126 D35 0.00668 -0.00002 -0.00239 0.00711 0.00479 0.01147 D36 -3.11543 -0.00056 -0.00961 0.01733 0.00689 -3.10854 D37 -3.10329 0.00031 -0.00661 0.03536 0.02769 -3.07560 D38 -0.01315 0.00015 0.00622 -0.01469 -0.00837 -0.02152 D39 0.02120 0.00063 -0.00035 0.02665 0.02525 0.04645 D40 3.11134 0.00047 0.01249 -0.02339 -0.01081 3.10053 D41 -0.07063 0.00068 0.00313 0.00812 0.01129 -0.05934 D42 3.09079 0.00035 -0.00413 0.01837 0.01421 3.10500 D43 3.11235 -0.00113 0.00259 -0.02643 -0.02524 3.08711 D44 -0.04736 -0.00104 0.00937 -0.04136 -0.03360 -0.08095 D45 0.01344 -0.00014 -0.00723 0.01523 0.00845 0.02189 D46 3.13692 -0.00006 -0.00045 0.00030 0.00009 3.13701 D47 -0.00146 0.00012 0.00265 -0.00512 -0.00205 -0.00351 D48 -3.12116 0.00003 -0.00558 0.01328 0.00772 -3.11344 D49 0.00221 -0.00019 -0.00076 -0.00203 -0.00271 -0.00050 D50 3.13992 0.00005 0.00276 -0.00667 -0.00385 3.13606 D51 -0.00679 0.00014 -0.00157 0.00751 0.00582 -0.00097 D52 3.13852 -0.00007 -0.00500 0.01199 0.00705 -3.13762 D53 3.11919 0.00075 0.00404 0.00344 0.00751 3.12671 D54 -0.00974 0.00005 0.00054 0.00012 0.00062 -0.00912 D55 -3.12334 0.00052 -0.01351 0.04173 0.02830 -3.09504 D56 -0.02762 0.00007 -0.01035 0.02240 0.01202 -0.01560 D57 0.00667 0.00112 -0.01042 0.04491 0.03452 0.04119 D58 3.10240 0.00066 -0.00726 0.02558 0.01824 3.12064 D59 -0.00240 -0.00032 -0.00116 -0.00706 -0.00831 -0.01071 D60 3.13702 0.00026 -0.00670 0.02552 0.01891 -3.12726 D61 -3.13987 -0.00001 -0.00055 -0.00343 -0.00406 3.13926 D62 -0.00045 0.00057 -0.00609 0.02915 0.02316 0.02271 D63 -3.13014 0.00016 -0.00384 0.01612 0.01224 -3.11790 D64 1.05572 -0.00026 -0.01194 0.02457 0.01234 1.06806 D65 -1.03923 0.00088 0.00715 0.00615 0.01352 -1.02572 D66 0.01365 -0.00043 0.00173 -0.01674 -0.01497 -0.00132 D67 -2.08367 -0.00085 -0.00637 -0.00829 -0.01487 -2.09855 D68 2.10455 0.00028 0.01273 -0.02671 -0.01370 2.09086 D69 -2.59608 -0.00018 -0.01592 0.03672 0.02074 -2.57534 D70 1.58439 -0.00000 -0.00506 0.02399 0.01893 1.60333 D71 -0.53443 0.00085 0.00886 0.01190 0.02089 -0.51354 D72 0.54329 0.00042 -0.02152 0.06991 0.04828 0.59158 D73 -1.55942 0.00060 -0.01067 0.05719 0.04647 -1.51295 D74 2.60494 0.00145 0.00325 0.04509 0.04843 2.65337 D75 -3.07068 -0.00010 -0.00305 0.00481 0.00175 -3.06893 D76 1.13247 -0.00063 -0.01298 0.01567 0.00225 1.13472 D77 -0.99869 0.00063 0.01529 -0.01496 0.00069 -0.99800 D78 0.11764 0.00031 -0.00633 0.02444 0.01816 0.13581 D79 -1.96240 -0.00022 -0.01625 0.03531 0.01867 -1.94373 D80 2.18963 0.00104 0.01201 0.00467 0.01711 2.20674 D81 2.96360 0.00043 0.00125 0.01622 0.01736 2.98096 D82 0.88187 -0.00036 -0.01617 0.03317 0.01681 0.89868 D83 -1.21874 0.00059 0.00114 0.01645 0.01770 -1.20104 D84 -0.22539 0.00015 0.00485 -0.00366 0.00121 -0.22419 D85 -2.30713 -0.00064 -0.01257 0.01329 0.00066 -2.30647 D86 1.87545 0.00031 0.00475 -0.00344 0.00155 1.87700 Item Value Threshold Converged? Maximum Force 0.052759 0.000450 NO RMS Force 0.008544 0.000300 NO Maximum Displacement 0.366453 0.001800 NO RMS Displacement 0.076976 0.001200 NO Predicted change in Energy=-1.549073D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.014060 -4.817424 2.190097 2 6 0 7.080572 -5.390959 3.594260 3 8 0 7.243492 -5.797668 1.210410 4 7 0 2.960076 -0.874895 -0.036950 5 6 0 4.192656 -1.413757 0.286529 6 6 0 4.443714 -2.633130 0.964542 7 7 0 3.641906 -3.630434 1.497508 8 6 0 4.460107 -4.497557 2.001569 9 7 0 5.781650 -4.140728 1.855262 10 6 0 5.766971 -2.949160 1.171013 11 7 0 6.822850 -2.226598 0.808775 12 6 0 6.471432 -1.128554 0.200827 13 7 0 5.238513 -0.693432 -0.072819 14 1 0 7.750269 -4.034069 2.103729 15 1 0 8.090982 -5.748392 3.765066 16 1 0 6.871500 -4.628783 4.335334 17 7 0 4.152038 -5.688187 2.614191 18 1 0 6.391694 -6.208258 3.716356 19 1 0 8.105961 -6.179298 1.337714 20 6 0 2.912382 -5.950754 2.760847 21 1 0 7.264692 -0.476362 -0.124777 22 6 0 1.889764 -1.557576 0.080139 23 1 0 1.855456 -2.584729 0.418747 24 7 0 0.690874 -1.040931 -0.226718 25 6 0 0.608708 0.332451 -0.690706 26 6 0 -0.510161 -1.831885 -0.067826 27 1 0 -0.429019 0.576786 -0.863466 28 1 0 1.164671 0.464092 -1.609179 29 1 0 1.013477 1.016881 0.042198 30 1 0 -1.232493 -1.555082 -0.822210 31 1 0 -0.973523 -1.702223 0.906797 32 1 0 -0.287032 -2.881397 -0.202675 33 7 0 2.465365 -7.076342 3.322852 34 1 0 2.134119 -5.273126 2.430971 35 6 0 1.032053 -7.309220 3.391517 36 6 0 3.413647 -8.076846 3.782002 37 1 0 0.851816 -8.221355 3.936656 38 1 0 0.587816 -7.419076 2.408076 39 1 0 0.526113 -6.506999 3.915134 40 1 0 2.883383 -8.828496 4.345944 41 1 0 4.155893 -7.621865 4.420078 42 1 0 3.923556 -8.551662 2.952187 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518236 0.000000 3 O 1.404743 2.423777 0.000000 4 N 6.077669 7.110486 6.643587 0.000000 5 C 4.813403 5.924464 5.420317 1.383569 0.000000 6 C 3.588845 4.634011 4.232435 2.509095 1.417605 7 N 3.641435 4.395480 4.213164 3.226832 2.585237 8 C 2.580801 3.194005 3.172295 4.419201 3.538745 9 N 1.445291 2.504872 2.301796 4.712475 3.524514 10 C 2.466612 3.682398 3.208686 3.693293 2.370283 11 N 2.942277 4.223568 3.618120 4.178920 2.802030 12 C 4.226039 5.482202 4.839004 3.528527 2.298153 13 N 5.027989 6.237581 5.632037 2.285933 1.319779 14 H 1.078475 2.123989 2.040863 6.124446 4.777537 15 H 2.122967 1.085293 2.692014 8.033212 6.788684 16 H 2.158229 1.083427 3.357056 6.964754 5.822837 17 N 3.021466 3.102449 3.397010 5.622909 4.867280 18 H 2.156670 1.075843 2.678416 7.369401 6.291798 19 H 1.942551 2.600943 0.951683 7.517082 6.255344 20 C 4.293478 4.287395 4.602804 5.796058 5.324067 21 H 4.926082 6.165906 5.486299 4.323918 3.238100 22 C 6.429382 7.347677 6.922304 1.274885 2.316591 23 H 5.893539 6.727603 6.323024 2.085996 2.617472 24 N 7.751489 8.622694 8.223666 2.283168 3.558777 25 C 8.709120 9.643826 9.231086 2.722868 4.104743 26 C 8.403901 9.148612 8.802298 3.599907 4.734647 27 H 9.686133 10.577299 10.188329 3.778422 5.161843 28 H 8.748958 9.816073 9.171248 2.736470 4.035929 29 H 8.640577 9.512475 9.306765 2.715571 4.009348 30 H 9.366029 10.164950 9.693987 4.319366 5.539090 31 H 8.669073 9.257304 9.186086 4.128962 5.211271 32 H 7.923352 8.660035 8.198185 3.820632 4.739292 33 N 5.203506 4.920804 5.378468 7.070428 6.653394 34 H 4.907088 5.082768 5.279262 5.110507 4.871441 35 C 6.590665 6.348655 6.754554 7.541366 7.374744 36 C 5.110867 4.549239 5.145430 8.164449 7.564518 37 H 7.253307 6.850240 7.359361 8.614220 8.415939 38 H 6.936333 6.904793 6.954235 7.377809 7.318448 39 H 6.922708 6.656534 7.276116 7.298202 7.249237 40 H 6.148078 5.477051 6.166688 9.081597 8.554028 41 H 4.583320 3.769969 4.812788 8.174147 7.458430 42 H 4.906784 4.513209 4.651908 8.294335 7.624162 6 7 8 9 10 6 C 0.000000 7 N 1.386205 0.000000 8 C 2.133491 1.294385 0.000000 9 N 2.203703 2.228653 1.376666 0.000000 10 C 1.376050 2.255357 2.189806 1.374135 0.000000 11 N 2.418640 3.544505 3.487488 2.417257 1.329734 12 C 2.637926 3.993370 4.317208 3.505161 2.179939 13 N 2.338857 3.693381 4.402315 3.987023 2.629581 14 H 3.767451 4.172418 3.324218 1.987102 2.445498 15 H 5.554309 5.424191 4.225845 3.400727 4.468315 16 H 4.608581 4.413643 3.358348 2.752586 3.748873 17 N 3.484220 2.396156 1.373977 2.371969 3.491853 18 H 4.914127 4.373763 3.098067 2.847894 4.182197 19 H 5.111420 5.142959 4.069546 3.134652 3.991548 20 C 4.071648 2.740824 2.254714 3.511264 4.436870 21 H 3.714322 5.069967 5.343881 4.421262 3.168118 22 C 2.908891 3.061973 4.352246 4.997051 4.261367 23 H 2.645622 2.334229 3.598395 4.460909 3.999833 24 N 4.247117 4.288014 5.578588 6.313429 5.600156 25 C 5.122674 5.449131 6.738739 7.297302 6.390825 26 C 5.123344 4.787975 6.007642 6.972511 6.495029 27 H 6.114630 6.312474 7.606638 8.259470 7.413615 28 H 5.193164 5.705554 6.965297 7.383984 6.368746 29 H 5.093115 5.533904 6.791717 7.254213 6.292806 30 H 6.047644 5.783419 7.002684 7.940569 7.410053 31 H 5.496943 5.036777 6.207798 7.244188 6.859950 32 H 4.878933 4.346059 5.477773 6.530691 6.208265 33 N 5.405332 4.073133 3.517799 4.665768 5.706543 34 H 3.801871 2.417274 2.489199 3.862415 4.492875 35 C 6.276580 4.892042 4.646392 5.912537 6.808833 36 C 6.215558 5.004158 4.132351 4.981243 6.216796 37 H 7.277599 5.900051 5.534528 6.729560 7.720335 38 H 6.313241 4.950798 4.867767 6.166772 6.952274 39 H 6.249837 4.881364 4.814135 6.120701 6.903261 40 H 7.228490 5.975684 5.170994 6.048026 7.277490 41 H 6.075446 4.973642 3.962705 4.619489 5.914910 42 H 6.265008 5.139447 4.198491 4.910407 6.161071 11 12 13 14 15 11 N 0.000000 12 C 1.303379 0.000000 13 N 2.374432 1.335778 0.000000 14 H 2.409142 3.701146 4.712339 0.000000 15 H 4.769785 6.055547 6.958345 2.411437 0.000000 16 H 4.267258 5.431926 6.130698 2.471029 1.750961 17 N 4.730261 5.656339 5.774776 3.992987 4.104073 18 H 4.949095 6.178082 6.789771 3.028761 1.761088 19 H 4.189271 5.429016 6.348747 2.305494 2.465349 20 C 5.742098 6.517220 6.409367 5.245059 5.278949 21 H 2.032257 1.077327 2.038436 4.226027 6.603631 22 C 5.031286 4.603293 3.461829 6.676336 8.342466 23 H 4.995536 4.845118 3.906881 6.299887 7.751671 24 N 6.330811 5.797010 4.563492 8.014045 9.636188 25 C 6.885690 6.107446 4.782187 8.824809 10.621439 26 C 7.395760 7.022072 5.860320 8.820429 10.198516 27 H 7.952669 7.187289 5.861697 9.847080 11.576770 28 H 6.715750 5.828753 4.505158 8.797116 10.744824 29 H 6.697507 5.866628 4.559531 8.668700 10.474718 30 H 8.246186 7.783251 6.570993 9.767114 11.205094 31 H 7.814602 7.500323 6.369199 9.109045 10.329881 32 H 7.211256 6.993719 5.944384 8.440756 9.703285 33 N 6.987723 7.821240 7.743544 6.218673 5.797117 34 H 5.822118 6.400259 6.072877 5.760512 6.122900 35 C 8.126312 8.829949 8.571149 7.584158 7.239075 36 C 7.395143 8.393666 8.526698 6.161732 5.224887 37 H 9.020754 9.790012 9.591070 8.275364 7.651831 38 H 8.270141 8.891544 8.545063 7.927902 7.805774 39 H 8.223151 8.835756 8.479862 7.847612 7.604292 40 H 8.462625 9.452259 9.552559 7.190316 6.078120 41 H 7.018766 8.082505 8.328347 5.581872 4.407252 42 H 7.280561 8.316502 8.522415 5.980992 5.087881 16 17 18 19 20 16 H 0.000000 17 N 3.388236 0.000000 18 H 1.762977 2.549765 0.000000 19 H 3.593566 4.183789 2.932148 0.000000 20 C 4.461080 1.275616 3.617308 5.389879 0.000000 21 H 6.106538 6.659857 6.954931 5.947276 7.565607 22 C 7.235793 5.348014 7.424170 7.847478 5.247090 23 H 6.684199 4.441364 6.676949 7.268716 4.234696 24 N 8.478511 6.453480 8.645718 9.156078 6.161737 25 C 9.439147 7.728235 9.779877 10.135391 7.529860 26 C 9.038771 6.618185 9.006013 9.752594 6.056424 27 H 10.364510 8.504709 10.655220 11.105663 8.179816 28 H 9.687235 8.038144 10.010163 10.049891 7.956248 29 H 9.198966 7.837324 9.727655 10.186593 7.716529 30 H 10.085763 7.608191 10.018924 10.642150 7.024259 31 H 9.047874 6.713753 9.079890 10.132468 6.048783 32 H 8.653986 5.959710 8.428059 9.148293 5.332885 33 N 5.140982 2.296527 4.040355 6.046634 1.335148 34 H 5.146315 2.068295 4.544627 6.138343 1.083370 35 C 6.494203 3.600874 5.481185 7.452181 2.403916 36 C 4.914474 2.759473 3.516346 5.620768 2.411284 37 H 7.021547 4.365469 5.898418 7.971645 3.283914 38 H 7.140360 3.967636 6.071464 7.694493 2.772007 39 H 6.630853 3.938304 5.876547 8.012776 2.708518 40 H 5.791613 3.803944 4.423830 6.583541 3.285540 41 H 4.042306 2.645817 2.737209 5.213924 2.663077 42 H 5.098279 2.892393 3.488152 5.072193 2.797107 21 22 23 24 25 21 H 0.000000 22 C 5.486426 0.000000 23 H 5.830992 1.082070 0.000000 24 N 6.598804 1.341052 2.038673 0.000000 25 C 6.728787 2.409877 3.360834 1.451969 0.000000 26 C 7.892340 2.420078 2.529757 1.446838 2.514796 27 H 7.800511 3.289779 4.105859 2.067999 1.080011 28 H 6.348083 2.732526 3.726255 2.097803 1.081674 29 H 6.429257 2.719769 3.717837 2.100233 1.081402 30 H 8.593731 3.250035 3.483615 2.078053 2.640094 31 H 8.392561 2.983739 3.003354 2.119524 3.032387 32 H 7.925831 2.563382 2.250429 2.084273 3.371846 33 N 8.858861 6.426763 5.383344 7.223188 8.628211 34 H 7.474195 4.403571 3.369596 5.201706 6.595016 35 C 9.894346 6.691959 5.642355 7.245652 8.674037 36 C 9.373411 7.650287 6.625918 8.543268 9.929203 37 H 10.844591 7.768913 6.719712 8.301691 9.728267 38 H 9.959784 6.439840 5.379149 6.901702 8.347997 39 H 9.904440 6.408083 5.419971 6.860028 8.246130 40 H 10.437498 8.488266 7.447425 9.293143 10.698829 41 H 9.021006 7.793973 6.831939 8.769706 10.098206 42 H 9.265063 7.829573 6.804385 8.773070 10.158069 26 27 28 29 30 26 C 0.000000 27 H 2.537977 0.000000 28 H 3.233009 1.763132 0.000000 29 H 3.232498 1.759178 1.747994 0.000000 30 H 1.080499 2.278626 3.231529 3.522297 0.000000 31 H 1.086925 2.936699 3.949042 3.476956 1.754474 32 H 1.081409 3.523612 3.908707 4.116778 1.742651 33 N 6.917714 9.190924 9.103564 8.852735 7.831985 34 H 5.007828 7.186408 7.083666 6.821016 5.978387 35 C 6.659330 9.079026 9.243860 8.974533 7.482898 36 C 8.319674 10.546649 10.347481 10.121404 9.236817 37 H 7.662648 10.103910 10.309760 10.026861 8.451647 38 H 6.209053 8.698894 8.866535 8.771769 6.937917 39 H 6.228525 8.598100 8.917506 8.476198 7.075069 40 H 8.941480 11.250302 11.170034 10.906430 9.826128 41 H 8.685459 10.777529 10.520554 10.181774 9.660338 42 H 8.598472 10.808917 10.473841 10.416027 9.475392 31 32 33 34 35 31 H 0.000000 32 H 1.758593 0.000000 33 N 6.822347 6.132095 0.000000 34 H 4.973117 4.303305 2.038814 0.000000 35 C 6.452487 5.853531 1.453730 2.506567 0.000000 36 C 8.255294 7.520995 1.452951 3.365015 2.532532 37 H 7.416939 6.851729 2.071558 3.550133 1.077799 38 H 6.113430 5.307721 2.116476 2.645123 1.084699 39 H 5.863862 5.546400 2.106098 2.512144 1.083378 40 H 8.802683 8.130772 2.071594 4.107210 2.578091 41 H 8.584650 7.973798 2.087914 3.682484 3.303643 42 H 8.664862 7.735252 2.107199 3.771280 3.177651 36 37 38 39 40 36 C 0.000000 37 H 2.570561 0.000000 38 H 3.210242 1.746398 0.000000 39 H 3.289377 1.745154 1.762644 0.000000 40 H 1.078976 2.159491 3.318347 3.336416 0.000000 41 H 1.079387 3.392641 4.101274 3.830561 1.755203 42 H 1.083536 3.242510 3.564544 4.080507 1.761009 41 42 41 H 0.000000 42 H 1.753056 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.512714 -2.281951 0.009431 2 6 0 3.632171 -1.894403 -0.940128 3 8 0 2.938814 -2.292732 1.347947 4 7 0 -3.269891 -0.413723 -0.086820 5 6 0 -2.195837 -1.285654 -0.066614 6 6 0 -0.818732 -0.949249 -0.062516 7 7 0 -0.110465 0.242284 -0.075551 8 6 0 1.138064 -0.099142 -0.069416 9 7 0 1.324204 -1.463164 -0.067368 10 6 0 0.062149 -2.006241 -0.044310 11 7 0 -0.247626 -3.299379 -0.039156 12 6 0 -1.537333 -3.487377 -0.049511 13 7 0 -2.506587 -2.568323 -0.063259 14 1 0 2.150349 -3.259288 -0.267359 15 1 0 4.402901 -2.656256 -0.881680 16 1 0 3.279044 -1.861465 -1.963861 17 7 0 2.236033 0.726388 -0.041547 18 1 0 4.056874 -0.941723 -0.676560 19 1 0 3.649029 -2.917778 1.450964 20 6 0 2.008449 1.980731 -0.086535 21 1 0 -1.881093 -4.508386 -0.051639 22 6 0 -3.108895 0.836661 0.102792 23 1 0 -2.154058 1.305522 0.301114 24 7 0 -4.144118 1.688841 0.079944 25 6 0 -5.477813 1.177011 -0.179872 26 6 0 -3.931221 3.105784 0.280665 27 1 0 -6.170761 2.005405 -0.182971 28 1 0 -5.773835 0.466153 0.579779 29 1 0 -5.524134 0.676654 -1.137435 30 1 0 -4.786106 3.536384 0.781898 31 1 0 -3.779517 3.644639 -0.651015 32 1 0 -3.069209 3.268275 0.913103 33 7 0 2.975507 2.900585 -0.050634 34 1 0 1.005542 2.385148 -0.152224 35 6 0 2.610464 4.307735 -0.048487 36 6 0 4.362215 2.482223 0.063742 37 1 0 3.508634 4.901949 -0.091525 38 1 0 2.071140 4.589139 0.849573 39 1 0 2.006512 4.560508 -0.911653 40 1 0 4.999692 3.339863 -0.085475 41 1 0 4.591711 1.742699 -0.688265 42 1 0 4.568989 2.053078 1.036947 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3195608 0.1967608 0.1251607 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1823.6786053561 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.75D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999819 0.001454 -0.001290 -0.018934 Ang= 2.18 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37220403 A.U. after 14 cycles NFock= 14 Conv=0.58D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002072990 -0.000250534 -0.003562535 2 6 -0.000961121 0.000366591 -0.000090343 3 8 0.000741650 -0.000900610 0.002959674 4 7 0.001445541 0.000063443 0.001725584 5 6 -0.006967811 -0.010437750 0.003465111 6 6 -0.001733621 0.005767843 -0.003190387 7 7 0.001348387 -0.000819963 0.000882063 8 6 0.000830020 -0.000326671 -0.003635637 9 7 -0.001766043 0.002462751 0.000509978 10 6 0.007161595 0.002633446 0.000478519 11 7 -0.004804035 -0.010375403 0.005825409 12 6 -0.011855763 0.013733381 -0.007362089 13 7 0.013569090 -0.000457744 0.000688598 14 1 0.002791849 -0.000817524 -0.001057191 15 1 0.000856173 -0.000805743 0.000762149 16 1 -0.000616856 0.000823122 -0.000044004 17 7 -0.000836026 0.000187128 0.001298190 18 1 -0.001241778 -0.001507900 0.000198784 19 1 -0.004040323 0.002841033 -0.000136240 20 6 -0.003146408 0.000993228 -0.001899174 21 1 -0.000539473 -0.001669075 0.000504117 22 6 0.001433168 -0.004052514 0.001122125 23 1 0.001908919 0.002793295 -0.000814985 24 7 0.001573094 -0.000546571 -0.001799282 25 6 -0.001289118 0.000258659 0.001582673 26 6 0.000040321 0.000717865 0.000026014 27 1 -0.001055424 0.000441781 -0.000401148 28 1 0.000629200 -0.000715320 -0.000394598 29 1 0.000498975 -0.000093736 0.000903124 30 1 -0.000614242 0.000274878 -0.001283337 31 1 0.000323368 0.001138832 0.000460367 32 1 0.000744731 -0.000953776 0.000804374 33 7 -0.000370774 0.000877059 0.001385500 34 1 0.002948977 -0.000910099 0.000718958 35 6 0.001133380 -0.001482426 0.000040865 36 6 -0.000999483 0.000000192 -0.000760192 37 1 -0.000463318 -0.001053539 0.000940926 38 1 0.000520281 0.000282198 -0.000855122 39 1 0.000255079 0.001194287 -0.000197690 40 1 -0.000408489 -0.000945026 0.000478958 41 1 0.000822438 0.000853821 0.000451728 42 1 0.000060883 0.000417092 -0.000729833 ------------------------------------------------------------------- Cartesian Forces: Max 0.013733381 RMS 0.003094790 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.011161805 RMS 0.001967130 Search for a local minimum. Step number 4 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -1.45D-02 DEPred=-1.55D-02 R= 9.39D-01 TightC=F SS= 1.41D+00 RLast= 3.78D-01 DXNew= 8.4853D-01 1.1327D+00 Trust test= 9.39D-01 RLast= 3.78D-01 DXMaxT set to 8.49D-01 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00231 0.00919 0.01097 0.01184 0.01195 Eigenvalues --- 0.01200 0.01212 0.01264 0.01463 0.01499 Eigenvalues --- 0.01544 0.01754 0.02024 0.02145 0.02264 Eigenvalues --- 0.02271 0.02322 0.02327 0.02333 0.02596 Eigenvalues --- 0.02600 0.02695 0.02724 0.02839 0.02926 Eigenvalues --- 0.03296 0.03480 0.04541 0.05142 0.05377 Eigenvalues --- 0.05787 0.07251 0.07305 0.07522 0.07561 Eigenvalues --- 0.07628 0.07707 0.07761 0.07772 0.08476 Eigenvalues --- 0.15777 0.15951 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16004 0.16282 0.18783 Eigenvalues --- 0.20170 0.21892 0.22001 0.23480 0.23621 Eigenvalues --- 0.24613 0.24945 0.24962 0.24965 0.24988 Eigenvalues --- 0.24993 0.24993 0.24995 0.24998 0.24999 Eigenvalues --- 0.27120 0.27658 0.32702 0.33101 0.33234 Eigenvalues --- 0.33349 0.33445 0.33492 0.33551 0.33592 Eigenvalues --- 0.33604 0.33624 0.33659 0.33670 0.33690 Eigenvalues --- 0.33761 0.33793 0.33878 0.36026 0.37237 Eigenvalues --- 0.37531 0.38566 0.39040 0.39764 0.39878 Eigenvalues --- 0.40024 0.40276 0.40647 0.41066 0.42100 Eigenvalues --- 0.42617 0.47191 0.48452 0.50345 0.50892 Eigenvalues --- 0.54517 0.55191 0.59127 0.59322 0.66119 Eigenvalues --- 0.68730 0.71044 0.75054 0.76864 0.89445 RFO step: Lambda=-3.25386873D-03 EMin= 2.31277272D-03 Quartic linear search produced a step of 0.01290. Iteration 1 RMS(Cart)= 0.06986697 RMS(Int)= 0.00147467 Iteration 2 RMS(Cart)= 0.00236603 RMS(Int)= 0.00010217 Iteration 3 RMS(Cart)= 0.00000348 RMS(Int)= 0.00010216 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00010216 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86905 0.00110 0.00019 0.00465 0.00484 2.87389 R2 2.65458 -0.00386 0.00029 -0.00835 -0.00806 2.64652 R3 2.73120 -0.00045 0.00027 -0.00009 0.00018 2.73139 R4 2.03802 0.00140 0.00032 0.00572 0.00603 2.04406 R5 2.05091 0.00118 0.00015 0.00415 0.00431 2.05521 R6 2.04738 0.00067 0.00014 0.00258 0.00272 2.05010 R7 2.03305 0.00196 0.00032 0.00764 0.00796 2.04101 R8 1.79842 -0.00482 0.00106 -0.00491 -0.00385 1.79457 R9 2.61457 -0.00574 0.00083 -0.00846 -0.00764 2.60693 R10 2.40918 -0.00311 0.00020 -0.00287 -0.00268 2.40651 R11 2.67888 -0.00885 -0.00011 -0.02039 -0.02050 2.65839 R12 2.49402 0.00490 0.00028 0.00898 0.00926 2.50328 R13 2.61955 -0.00147 -0.00003 -0.00213 -0.00218 2.61737 R14 2.60036 -0.00000 -0.00020 0.00013 -0.00010 2.60026 R15 2.44603 -0.00346 -0.00021 -0.00500 -0.00520 2.44084 R16 2.60152 -0.00134 -0.00014 -0.00461 -0.00473 2.59679 R17 2.59644 0.00014 -0.00001 0.00247 0.00246 2.59890 R18 2.59674 -0.00046 0.00014 0.00062 0.00077 2.59751 R19 2.51283 -0.00702 0.00009 -0.01341 -0.01332 2.49951 R20 2.46303 0.00967 0.00030 0.01582 0.01612 2.47915 R21 2.52425 -0.01116 0.00099 -0.02360 -0.02260 2.50165 R22 2.03585 -0.00156 0.00010 -0.00348 -0.00338 2.03247 R23 2.41056 -0.00044 -0.00010 -0.00024 -0.00035 2.41022 R24 2.52306 0.00001 -0.00002 -0.00006 -0.00008 2.52298 R25 2.04727 -0.00291 -0.00025 -0.00856 -0.00881 2.03846 R26 2.04482 -0.00297 -0.00037 -0.00891 -0.00928 2.03554 R27 2.53422 -0.00054 0.00008 -0.00063 -0.00054 2.53368 R28 2.74382 -0.00057 -0.00015 -0.00190 -0.00205 2.74178 R29 2.73413 -0.00105 -0.00011 -0.00335 -0.00346 2.73067 R30 2.04092 0.00118 0.00024 0.00465 0.00489 2.04581 R31 2.04407 0.00057 0.00014 0.00232 0.00247 2.04654 R32 2.04355 0.00074 0.00017 0.00294 0.00311 2.04666 R33 2.04185 0.00138 0.00026 0.00537 0.00563 2.04748 R34 2.05399 0.00041 0.00012 0.00173 0.00185 2.05584 R35 2.04357 0.00098 0.00018 0.00372 0.00390 2.04747 R36 2.74715 -0.00126 -0.00020 -0.00403 -0.00423 2.74292 R37 2.74568 -0.00074 -0.00017 -0.00248 -0.00265 2.74303 R38 2.03675 0.00144 0.00034 0.00600 0.00633 2.04308 R39 2.04978 0.00053 0.00013 0.00217 0.00230 2.05209 R40 2.04729 0.00067 0.00015 0.00264 0.00279 2.05008 R41 2.03897 0.00111 0.00023 0.00438 0.00462 2.04359 R42 2.03975 0.00119 0.00022 0.00462 0.00484 2.04459 R43 2.04759 0.00040 0.00012 0.00172 0.00184 2.04943 A1 1.95439 0.00114 -0.00007 -0.00782 -0.00854 1.94584 A2 2.01362 -0.00369 -0.00050 -0.02946 -0.03028 1.98334 A3 1.89500 0.00071 -0.00006 0.01560 0.01584 1.91084 A4 1.88012 -0.00019 0.00065 -0.01250 -0.01253 1.86759 A5 1.91720 -0.00057 0.00003 0.00419 0.00432 1.92152 A6 1.79615 0.00276 -0.00002 0.03445 0.03468 1.83083 A7 1.88679 0.00129 -0.00002 0.00969 0.00968 1.89647 A8 1.93736 -0.00113 -0.00010 -0.00825 -0.00836 1.92900 A9 1.94324 -0.00010 0.00011 -0.00090 -0.00081 1.94243 A10 1.87936 0.00013 -0.00005 0.00252 0.00249 1.88185 A11 1.90506 -0.00046 -0.00002 -0.00155 -0.00157 1.90349 A12 1.91053 0.00029 0.00007 -0.00119 -0.00115 1.90938 A13 1.91192 -0.00178 0.00051 -0.00821 -0.00770 1.90422 A14 2.11518 -0.00774 0.00067 -0.02076 -0.02009 2.09509 A15 2.22007 -0.00306 -0.00002 -0.00619 -0.00625 2.21382 A16 2.01500 0.00126 0.00036 0.00307 0.00338 2.01838 A17 2.04806 0.00180 -0.00034 0.00297 0.00260 2.05067 A18 2.34661 -0.00234 -0.00021 -0.00641 -0.00661 2.33999 A19 2.02597 0.00136 0.00046 0.00457 0.00503 2.03100 A20 1.91060 0.00098 -0.00025 0.00183 0.00157 1.91217 A21 1.84010 -0.00026 0.00044 0.00124 0.00170 1.84181 A22 1.97336 0.00067 -0.00038 -0.00175 -0.00216 1.97120 A23 2.22991 -0.00078 -0.00015 0.00233 0.00208 2.23199 A24 2.07972 0.00012 0.00053 -0.00016 0.00027 2.07999 A25 2.30849 -0.00600 -0.00051 -0.02892 -0.02946 2.27903 A26 2.12995 0.00541 0.00029 0.02290 0.02307 2.15302 A27 1.84152 0.00056 0.00019 0.00461 0.00478 1.84630 A28 1.85891 -0.00195 -0.00001 -0.00580 -0.00579 1.85311 A29 2.21170 -0.00145 -0.00018 -0.00776 -0.00796 2.20374 A30 2.21225 0.00340 0.00019 0.01369 0.01387 2.22612 A31 1.95062 0.00083 0.00052 0.00704 0.00756 1.95818 A32 2.23806 -0.00082 -0.00091 -0.00564 -0.00655 2.23151 A33 2.04031 -0.00049 0.00004 -0.00518 -0.00516 2.03515 A34 2.00480 0.00131 0.00087 0.01087 0.01171 2.01651 A35 2.09193 -0.00172 0.00045 -0.00117 -0.00069 2.09123 A36 2.03479 0.00019 -0.00025 0.00855 0.00830 2.04309 A37 2.14992 -0.00145 -0.00023 -0.00851 -0.00875 2.14117 A38 2.13456 -0.00054 -0.00009 -0.00346 -0.00357 2.13099 A39 1.99870 0.00199 0.00032 0.01202 0.01232 2.01102 A40 2.16961 -0.00151 -0.00017 -0.00943 -0.00960 2.16001 A41 2.12143 -0.00070 0.00002 -0.00396 -0.00394 2.11749 A42 1.99211 0.00221 0.00015 0.01338 0.01354 2.00565 A43 2.08072 0.00001 0.00004 0.00004 -0.00007 2.08066 A44 2.10177 0.00078 0.00008 0.00336 0.00328 2.10505 A45 2.10042 -0.00080 -0.00012 -0.00409 -0.00435 2.09607 A46 1.89598 0.00082 0.00013 0.00681 0.00695 1.90293 A47 1.93625 -0.00120 -0.00024 -0.00927 -0.00954 1.92671 A48 1.94003 -0.00093 -0.00022 -0.00708 -0.00733 1.93270 A49 1.90763 0.00030 0.00005 0.00260 0.00266 1.91030 A50 1.90167 0.00033 0.00006 0.00356 0.00363 1.90530 A51 1.88186 0.00071 0.00024 0.00363 0.00381 1.88567 A52 1.91582 0.00009 -0.00000 0.00155 0.00154 1.91736 A53 1.96832 -0.00158 -0.00029 -0.01221 -0.01252 1.95580 A54 1.92365 -0.00016 -0.00006 -0.00099 -0.00107 1.92259 A55 1.88651 0.00063 0.00017 0.00410 0.00426 1.89077 A56 1.87496 0.00055 0.00003 0.00580 0.00583 1.88080 A57 1.89183 0.00058 0.00017 0.00270 0.00283 1.89466 A58 2.07720 0.00084 0.00014 0.00369 0.00376 2.08097 A59 2.08866 -0.00114 -0.00005 -0.00520 -0.00531 2.08335 A60 2.11561 0.00029 -0.00010 0.00039 0.00022 2.11583 A61 1.90111 0.00091 0.00002 0.00782 0.00786 1.90897 A62 1.95756 -0.00123 -0.00026 -0.00971 -0.01001 1.94755 A63 1.94406 -0.00102 -0.00019 -0.00819 -0.00842 1.93563 A64 1.88008 0.00050 0.00011 0.00535 0.00548 1.88556 A65 1.87980 0.00042 0.00007 0.00469 0.00477 1.88458 A66 1.89857 0.00053 0.00027 0.00107 0.00125 1.89982 A67 1.90088 0.00066 0.00008 0.00570 0.00578 1.90666 A68 1.92341 -0.00041 -0.00014 -0.00356 -0.00372 1.91969 A69 1.94645 -0.00107 -0.00026 -0.00861 -0.00889 1.93756 A70 1.89929 0.00024 0.00004 0.00327 0.00331 1.90260 A71 1.90316 0.00029 0.00010 0.00275 0.00285 1.90602 A72 1.89002 0.00032 0.00021 0.00073 0.00090 1.89092 D1 1.11445 0.00093 0.00044 0.02876 0.02908 1.14353 D2 -3.11117 0.00123 0.00030 0.03298 0.03314 -3.07803 D3 -0.97799 0.00074 0.00040 0.02501 0.02529 -0.95270 D4 -3.00993 -0.00133 0.00086 -0.01849 -0.01747 -3.02740 D5 -0.95236 -0.00104 0.00073 -0.01427 -0.01341 -0.96577 D6 1.18082 -0.00153 0.00082 -0.02224 -0.02126 1.15956 D7 -1.00539 0.00043 0.00048 0.01792 0.01840 -0.98699 D8 1.05218 0.00073 0.00035 0.02215 0.02247 1.07464 D9 -3.09782 0.00024 0.00044 0.01418 0.01461 -3.08321 D10 -1.04301 -0.00205 -0.00030 -0.04224 -0.04253 -1.08555 D11 3.00816 0.00206 -0.00009 0.01107 0.01097 3.01913 D12 1.06399 -0.00078 -0.00040 -0.02481 -0.02520 1.03879 D13 -0.84789 -0.00014 -0.00137 -0.05027 -0.05187 -0.89976 D14 2.39322 0.00012 -0.00083 -0.02917 -0.03028 2.36294 D15 1.34951 -0.00150 -0.00129 -0.09263 -0.09372 1.25580 D16 -1.69257 -0.00125 -0.00075 -0.07153 -0.07213 -1.76469 D17 -2.90846 -0.00093 -0.00100 -0.07693 -0.07784 -2.98629 D18 0.33265 -0.00068 -0.00047 -0.05583 -0.05625 0.27640 D19 -0.19121 -0.00053 -0.00065 -0.04404 -0.04466 -0.23587 D20 2.96197 -0.00023 -0.00065 -0.02777 -0.02844 2.93353 D21 -0.01352 0.00004 0.00004 0.00006 0.00011 -0.01341 D22 3.13732 0.00002 0.00010 0.00076 0.00085 3.13818 D23 0.00013 0.00025 0.00002 0.00892 0.00896 0.00909 D24 -3.13877 0.00033 -0.00000 0.01481 0.01477 -3.12399 D25 3.12994 -0.00006 0.00002 -0.00761 -0.00752 3.12242 D26 -0.00896 0.00002 0.00000 -0.00172 -0.00171 -0.01066 D27 3.13704 -0.00026 -0.00005 -0.01049 -0.01057 3.12647 D28 0.00584 0.00004 -0.00005 0.00415 0.00413 0.00997 D29 -3.13583 -0.00005 -0.00001 -0.00047 -0.00051 -3.13634 D30 0.00320 -0.00013 0.00001 -0.00607 -0.00603 -0.00284 D31 3.12342 0.00013 -0.00006 0.00321 0.00311 3.12653 D32 0.00829 -0.00011 0.00004 -0.00228 -0.00228 0.00601 D33 -0.01613 0.00020 -0.00007 0.00768 0.00755 -0.00857 D34 -3.13126 -0.00005 0.00003 0.00219 0.00217 -3.12909 D35 0.01147 0.00003 0.00006 0.00216 0.00219 0.01366 D36 -3.10854 -0.00067 0.00009 -0.02091 -0.02094 -3.12948 D37 -3.07560 0.00001 0.00036 0.01984 0.01990 -3.05570 D38 -0.02152 0.00007 -0.00011 0.00244 0.00236 -0.01916 D39 0.04645 0.00064 0.00033 0.04076 0.04083 0.08729 D40 3.10053 0.00069 -0.00014 0.02337 0.02330 3.12383 D41 -0.05934 0.00087 0.00015 0.03050 0.03070 -0.02863 D42 3.10500 0.00012 0.00018 0.00621 0.00634 3.11133 D43 3.08711 -0.00081 -0.00033 -0.02435 -0.02506 3.06205 D44 -0.08095 -0.00066 -0.00043 -0.01928 -0.02002 -0.10098 D45 0.02189 -0.00018 0.00011 -0.00607 -0.00594 0.01595 D46 3.13701 -0.00004 0.00000 -0.00100 -0.00090 3.13611 D47 -0.00351 0.00011 -0.00003 0.00336 0.00338 -0.00014 D48 -3.11344 -0.00008 0.00010 -0.00283 -0.00276 -3.11620 D49 -0.00050 -0.00001 -0.00003 -0.00056 -0.00061 -0.00111 D50 3.13606 0.00028 -0.00005 0.01142 0.01131 -3.13581 D51 -0.00097 -0.00005 0.00008 -0.00321 -0.00316 -0.00413 D52 -3.13762 -0.00033 0.00009 -0.01495 -0.01492 3.13064 D53 3.12671 0.00057 0.00010 0.01609 0.01616 -3.14032 D54 -0.00912 0.00025 0.00001 0.00554 0.00558 -0.00354 D55 -3.09504 0.00027 0.00037 0.01548 0.01582 -3.07922 D56 -0.01560 -0.00007 0.00016 -0.00479 -0.00465 -0.02025 D57 0.04119 0.00055 0.00045 0.02523 0.02569 0.06688 D58 3.12064 0.00021 0.00024 0.00496 0.00522 3.12586 D59 -0.01071 -0.00017 -0.00011 -0.01169 -0.01184 -0.02255 D60 -3.12726 0.00037 0.00024 0.01981 0.02010 -3.10717 D61 3.13926 -0.00016 -0.00005 -0.01096 -0.01105 3.12821 D62 0.02271 0.00037 0.00030 0.02054 0.02089 0.04359 D63 -3.11790 0.00012 0.00016 0.01040 0.01053 -3.10737 D64 1.06806 -0.00004 0.00016 0.00853 0.00869 1.07675 D65 -1.02572 0.00048 0.00017 0.01484 0.01495 -1.01076 D66 -0.00132 -0.00039 -0.00019 -0.02097 -0.02113 -0.02245 D67 -2.09855 -0.00055 -0.00019 -0.02284 -0.02297 -2.12152 D68 2.09086 -0.00003 -0.00018 -0.01653 -0.01671 2.07415 D69 -2.57534 0.00007 0.00027 0.02621 0.02648 -2.54886 D70 1.60333 0.00025 0.00024 0.02804 0.02829 1.63162 D71 -0.51354 0.00070 0.00027 0.03367 0.03392 -0.47962 D72 0.59158 0.00059 0.00062 0.05801 0.05863 0.65021 D73 -1.51295 0.00078 0.00060 0.05984 0.06045 -1.45249 D74 2.65337 0.00123 0.00062 0.06547 0.06608 2.71945 D75 -3.06893 0.00004 0.00002 0.00693 0.00692 -3.06200 D76 1.13472 -0.00042 0.00003 0.00115 0.00119 1.13591 D77 -0.99800 0.00052 0.00001 0.01271 0.01265 -0.98535 D78 0.13581 0.00044 0.00023 0.02773 0.02799 0.16380 D79 -1.94373 -0.00002 0.00024 0.02194 0.02225 -1.92148 D80 2.20674 0.00092 0.00022 0.03350 0.03371 2.24045 D81 2.98096 0.00033 0.00022 0.01605 0.01625 2.99721 D82 0.89868 -0.00012 0.00022 0.01068 0.01089 0.90957 D83 -1.20104 0.00046 0.00023 0.01781 0.01799 -1.18305 D84 -0.22419 0.00000 0.00002 -0.00456 -0.00452 -0.22870 D85 -2.30647 -0.00045 0.00001 -0.00993 -0.00988 -2.31634 D86 1.87700 0.00013 0.00002 -0.00280 -0.00278 1.87423 Item Value Threshold Converged? Maximum Force 0.011162 0.000450 NO RMS Force 0.001967 0.000300 NO Maximum Displacement 0.288272 0.001800 NO RMS Displacement 0.069972 0.001200 NO Predicted change in Energy=-1.726821D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.989064 -4.846684 2.162291 2 6 0 7.009328 -5.383143 3.585186 3 8 0 7.115079 -5.878085 1.223319 4 7 0 2.976245 -0.853264 -0.023320 5 6 0 4.209867 -1.389356 0.283077 6 6 0 4.460384 -2.603322 0.948279 7 7 0 3.652915 -3.599209 1.472270 8 6 0 4.462046 -4.473175 1.972080 9 7 0 5.783064 -4.120912 1.833706 10 6 0 5.781889 -2.921852 1.161675 11 7 0 6.828857 -2.195134 0.807793 12 6 0 6.479666 -1.084556 0.202991 13 7 0 5.256394 -0.656607 -0.067122 14 1 0 7.788607 -4.129231 2.035811 15 1 0 7.990296 -5.809285 3.782461 16 1 0 6.846830 -4.580435 4.296655 17 7 0 4.145740 -5.656832 2.596817 18 1 0 6.258214 -6.146108 3.727427 19 1 0 7.953414 -6.307566 1.344025 20 6 0 2.906944 -5.927738 2.733642 21 1 0 7.278146 -0.440923 -0.120967 22 6 0 1.929060 -1.572649 0.063919 23 1 0 1.937389 -2.608658 0.358697 24 7 0 0.716962 -1.077003 -0.223831 25 6 0 0.595769 0.314762 -0.615454 26 6 0 -0.465667 -1.894584 -0.078917 27 1 0 -0.449621 0.547020 -0.774308 28 1 0 1.148972 0.499562 -1.527957 29 1 0 0.991608 0.965610 0.154417 30 1 0 -1.189629 -1.632965 -0.841389 31 1 0 -0.933402 -1.767506 0.895050 32 1 0 -0.214306 -2.940705 -0.206849 33 7 0 2.474114 -7.044328 3.323891 34 1 0 2.132816 -5.263941 2.381925 35 6 0 1.048815 -7.314912 3.370108 36 6 0 3.439897 -8.011060 3.813472 37 1 0 0.872375 -8.210701 3.949174 38 1 0 0.639331 -7.470793 2.376508 39 1 0 0.515060 -6.498587 3.845114 40 1 0 2.924983 -8.771367 4.384667 41 1 0 4.163410 -7.520671 4.451174 42 1 0 3.971074 -8.480109 2.992493 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520799 0.000000 3 O 1.400477 2.415485 0.000000 4 N 6.068527 7.057399 6.628189 0.000000 5 C 4.817520 5.889927 5.428905 1.379528 0.000000 6 C 3.591756 4.601934 4.224586 2.491863 1.406757 7 N 3.627976 4.348832 4.152328 3.199201 2.570569 8 C 2.561544 3.149412 3.094026 4.392378 3.525091 9 N 1.445388 2.482868 2.287902 4.690875 3.512947 10 C 2.482636 3.665783 3.243533 3.681699 2.364685 11 N 2.981786 4.232008 3.717354 4.163410 2.789931 12 C 4.272230 5.495238 4.941937 3.518333 2.291572 13 N 5.052640 6.225133 5.690675 2.289033 1.324681 14 H 1.081668 2.140125 2.042614 6.175015 4.835946 15 H 2.134015 1.087572 2.705539 8.011668 6.787717 16 H 2.155604 1.084866 3.346826 6.894594 5.765880 17 N 2.988250 3.041695 3.279089 5.595275 4.854776 18 H 2.161549 1.080055 2.660190 7.270050 6.219804 19 H 1.932280 2.601665 0.949646 7.509411 6.271247 20 C 4.261317 4.225075 4.471235 5.775460 5.319755 21 H 4.970670 6.183314 5.603251 4.322721 3.236837 22 C 6.381701 7.261426 6.839283 1.273469 2.298631 23 H 5.812153 6.620616 6.184270 2.075227 2.580033 24 N 7.696969 8.523222 8.128994 2.279172 3.543290 25 C 8.673558 9.552237 9.177900 2.716905 4.095495 26 C 8.325317 9.026142 8.662090 3.596414 4.716663 27 H 9.646226 10.478928 10.124089 3.776418 5.155428 28 H 8.735385 9.751627 9.156328 2.726352 4.027025 29 H 8.589749 9.396265 9.245302 2.697901 3.989938 30 H 9.286608 10.043968 9.552604 4.316443 5.520718 31 H 8.593759 9.132175 9.043377 4.118808 5.193334 32 H 7.818831 8.516215 8.024555 3.817160 4.713811 33 N 5.154001 4.836938 5.226001 7.055865 6.651173 34 H 4.879086 5.024183 5.151940 5.094178 4.871520 35 C 6.545038 6.269426 6.593386 7.548724 7.391496 36 C 5.033513 4.438343 4.976488 8.134494 7.543441 37 H 7.205792 6.766813 7.200190 8.621999 8.432666 38 H 6.873931 6.811463 6.767708 7.417010 7.356293 39 H 6.890094 6.594489 7.128751 7.272681 7.241819 40 H 6.071149 5.366666 5.993506 9.062524 8.542134 41 H 4.513702 3.663087 4.672203 8.116944 7.414055 42 H 4.795756 4.378752 4.448064 8.261573 7.594520 6 7 8 9 10 6 C 0.000000 7 N 1.385050 0.000000 8 C 2.131788 1.291634 0.000000 9 N 2.199214 2.222689 1.374164 0.000000 10 C 1.375999 2.255618 2.192110 1.374544 0.000000 11 N 2.407492 3.535472 3.485231 2.419670 1.322685 12 C 2.634312 3.990623 4.322408 3.516240 2.186693 13 N 2.335459 3.687788 4.399492 3.986469 2.630100 14 H 3.819449 4.207428 3.344902 2.015718 2.499759 15 H 5.547167 5.388348 4.184641 3.394130 4.481389 16 H 4.562425 4.375049 3.332019 2.721925 3.703120 17 N 3.484336 2.396100 1.375278 2.371122 3.495244 18 H 4.848421 4.284858 3.017643 2.813071 4.147987 19 H 5.106788 5.083889 3.993631 3.119561 4.026391 20 C 4.080740 2.751287 2.261432 3.513769 4.446543 21 H 3.709318 5.065123 5.345121 4.427000 3.168432 22 C 2.872627 3.010328 4.297691 4.947640 4.227258 23 H 2.590973 2.272502 3.528926 4.387685 3.939929 24 N 4.209122 4.225885 5.511956 6.258133 5.565661 25 C 5.088785 5.387384 6.675910 7.251319 6.366294 26 C 5.081675 4.719602 5.927738 6.903717 6.451845 27 H 6.082772 6.250530 7.541185 8.212045 7.390049 28 H 5.169631 5.663128 6.924943 7.356927 6.356423 29 H 5.039831 5.445812 6.702851 7.186847 6.250897 30 H 6.005594 5.715712 6.922704 7.871751 7.367195 31 H 5.458420 4.972185 6.131191 7.178476 6.818998 32 H 4.827098 4.267138 5.381865 6.444006 6.150412 33 N 5.413995 4.084962 3.519957 4.660061 5.710636 34 H 3.814683 2.430947 2.493711 3.864113 4.504456 35 C 6.301043 4.918290 4.656189 5.913991 6.824818 36 C 6.204381 4.999103 4.117297 4.954105 6.198144 37 H 7.302183 5.927252 5.546507 6.731749 7.735981 38 H 6.350792 4.988837 4.874671 6.162331 6.972415 39 H 6.255424 4.887015 4.815522 6.119720 6.908934 40 H 7.225718 5.980231 5.163100 6.025178 7.264050 41 H 6.044732 4.950993 3.939838 4.586151 5.881276 42 H 6.241383 5.122058 4.163870 4.860936 6.125779 11 12 13 14 15 11 N 0.000000 12 C 1.311908 0.000000 13 N 2.367526 1.323819 0.000000 14 H 2.483924 3.787163 4.784720 0.000000 15 H 4.822829 6.116999 6.988820 2.431881 0.000000 16 H 4.226363 5.395745 6.080170 2.490370 1.755558 17 N 4.731076 5.664214 5.773419 3.989833 4.026115 18 H 4.945715 6.171710 6.748101 3.044908 1.765386 19 H 4.297007 5.545604 6.418613 2.291478 2.489099 20 C 5.746532 6.528779 6.414750 5.249022 5.191774 21 H 2.035119 1.075538 2.033938 4.303008 6.675568 22 C 4.994882 4.578820 3.453615 6.690199 8.277392 23 H 4.929416 4.793684 3.873966 6.273883 7.655316 24 N 6.298391 5.778494 4.561549 8.026845 9.557523 25 C 6.868522 6.103129 4.792249 8.860880 10.560523 26 C 7.354363 6.998090 5.854460 8.809016 10.086547 27 H 7.937171 7.185552 5.874302 9.880915 11.506474 28 H 6.706579 5.824251 4.510175 8.843694 10.714747 29 H 6.670133 5.858695 4.568267 8.700358 10.394399 30 H 8.205605 7.759483 6.565362 9.752864 11.094713 31 H 7.774519 7.476559 6.361874 9.107827 10.213007 32 H 7.154825 6.958629 5.930024 8.395757 9.563412 33 N 6.986360 7.829646 7.748744 6.196836 5.671321 34 H 5.826515 6.411717 6.081291 5.778870 6.047229 35 C 8.135507 8.851108 8.593677 7.573223 7.114851 36 C 7.371849 8.381660 8.511559 6.094256 5.055186 37 H 9.029673 9.811093 9.613251 8.255521 7.513946 38 H 8.282733 8.922875 8.586135 7.899003 7.666420 39 H 8.222473 8.840436 8.480246 7.860783 7.507211 40 H 8.442814 9.445065 9.544802 7.121896 5.898643 41 H 6.981417 8.052060 8.290053 5.520679 4.245124 42 H 7.241599 8.292681 8.498263 5.866766 4.889939 16 17 18 19 20 16 H 0.000000 17 N 3.368080 0.000000 18 H 1.766868 2.445448 0.000000 19 H 3.595210 4.060951 2.929228 0.000000 20 C 4.447577 1.275432 3.502328 5.248062 0.000000 21 H 6.069347 6.663634 6.956977 6.084380 7.573727 22 C 7.151733 5.292428 7.285561 7.768587 5.201008 23 H 6.595304 4.379197 6.521612 7.130592 4.194842 24 N 8.383562 6.378668 8.486091 9.065494 6.088703 25 C 9.336355 7.653817 9.626357 10.091071 7.451630 26 C 8.934877 6.525269 8.818973 9.611456 5.962493 27 H 10.258833 8.424346 10.490883 11.049148 8.092882 28 H 9.601982 7.993470 9.893854 10.044187 7.909607 29 H 9.066442 7.731145 9.543588 10.138095 7.605206 30 H 9.983574 7.515246 9.834272 10.498722 6.928769 31 H 8.945138 6.619709 8.883347 9.989455 5.952833 32 H 8.534044 5.852170 8.224759 8.969538 5.225999 33 N 5.112503 2.290877 3.910122 5.872429 1.335106 34 H 5.133742 2.062136 4.428036 6.003811 1.078706 35 C 6.477101 3.596965 5.350852 7.265896 2.404576 36 C 4.858996 2.742417 3.380585 5.419584 2.406304 37 H 6.999549 4.366467 5.772259 7.781377 3.290730 38 H 7.111552 3.953972 5.928879 7.477628 2.765977 39 H 6.631328 3.930476 5.755164 7.849907 2.698583 40 H 5.740431 3.793019 4.293528 6.371887 3.288227 41 H 3.983668 2.629229 2.607956 5.048775 2.658205 42 H 5.017796 2.856215 3.349433 4.826637 2.777404 21 22 23 24 25 21 H 0.000000 22 C 5.470623 0.000000 23 H 5.783843 1.077162 0.000000 24 N 6.592748 1.340763 2.043220 0.000000 25 C 6.743126 2.408637 3.360848 1.450885 0.000000 26 C 7.879184 2.420488 2.544815 1.445008 2.509129 27 H 7.818009 3.294502 4.115801 2.073980 1.082598 28 H 6.358530 2.727025 3.720497 2.091157 1.082980 29 H 6.447847 2.707353 3.702920 2.095416 1.083048 30 H 8.581562 3.247991 3.488614 2.079798 2.651855 31 H 8.379835 2.987044 3.039186 2.110068 2.992628 32 H 7.898932 2.557129 2.249420 2.083490 3.379533 33 N 8.862885 6.392478 5.362427 7.161206 8.555865 34 H 7.483341 4.363520 3.343976 5.130795 6.516803 35 C 9.911806 6.684257 5.657472 7.206804 8.619854 36 C 9.355155 7.602296 6.586270 8.473212 9.850064 37 H 10.861372 7.763731 6.738595 8.266061 9.674495 38 H 9.986506 6.465258 5.421888 6.902777 8.340779 39 H 9.907796 6.368806 5.413841 6.781640 8.144010 40 H 10.423391 8.454719 7.427164 9.236712 10.629402 41 H 8.984925 7.721353 6.769890 8.674937 9.989634 42 H 9.233573 7.775562 6.748829 8.702870 10.087602 26 27 28 29 30 26 C 0.000000 27 H 2.538751 0.000000 28 H 3.230900 1.767976 0.000000 29 H 3.218510 1.764904 1.752810 0.000000 30 H 1.083480 2.303139 3.238535 3.535819 0.000000 31 H 1.087905 2.894448 3.917504 3.424050 1.760390 32 H 1.083474 3.541413 3.929286 4.104148 1.750451 33 N 6.836759 9.108898 9.066792 8.740852 7.749543 34 H 4.915325 7.099159 7.033711 6.713527 5.883228 35 C 6.600710 9.012850 9.223181 8.883185 7.418345 36 C 8.235010 10.460249 10.305818 9.998169 9.153159 37 H 7.609810 10.037760 10.292918 9.930714 8.394519 38 H 6.192272 8.683247 8.889946 8.731247 6.912321 39 H 6.128351 8.479991 8.845667 8.340418 6.967320 40 H 8.871879 11.172973 11.138378 10.790814 9.756970 41 H 8.579215 10.661771 10.448013 10.026934 9.556742 42 H 8.513951 10.734076 10.441897 10.303081 9.392277 31 32 33 34 35 31 H 0.000000 32 H 1.762860 0.000000 33 N 6.734633 6.044291 0.000000 34 H 4.882371 4.196208 2.042930 0.000000 35 C 6.389742 5.789972 1.451492 2.521516 0.000000 36 C 8.162407 7.431331 1.451550 3.362209 2.529519 37 H 7.355492 6.798990 2.077732 3.567685 1.081151 38 H 6.098827 5.284329 2.108514 2.664718 1.085917 39 H 5.760560 5.441406 2.099381 2.506473 1.084856 40 H 8.724599 8.058150 2.076341 4.115889 2.582750 41 H 8.468909 7.863693 2.085999 3.673954 3.303293 42 H 8.573925 7.644488 2.100519 3.754427 3.168576 36 37 38 39 40 36 C 0.000000 37 H 2.578845 0.000000 38 H 3.193731 1.753582 0.000000 39 H 3.292909 1.752095 1.765625 0.000000 40 H 1.081420 2.171911 3.308836 3.356244 0.000000 41 H 1.081950 3.399861 4.089726 3.836981 1.761354 42 H 1.084510 3.254190 3.535345 4.073994 1.765584 41 42 41 H 0.000000 42 H 1.756492 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.481258 -2.292707 0.047795 2 6 0 3.566204 -1.893930 -0.940486 3 8 0 2.928718 -2.187987 1.370727 4 7 0 -3.274853 -0.376472 -0.101352 5 6 0 -2.225280 -1.271095 -0.067542 6 6 0 -0.853036 -0.961542 -0.058010 7 7 0 -0.132128 0.221064 -0.067858 8 6 0 1.110451 -0.131340 -0.056546 9 7 0 1.280512 -1.494940 -0.056717 10 6 0 0.014306 -2.029670 -0.044069 11 7 0 -0.320327 -3.309323 -0.045262 12 6 0 -1.620786 -3.481493 -0.061613 13 7 0 -2.563237 -2.551920 -0.074876 14 1 0 2.161072 -3.305365 -0.157166 15 1 0 4.379589 -2.612727 -0.873045 16 1 0 3.184057 -1.919208 -1.955503 17 7 0 2.219022 0.682516 -0.046654 18 1 0 3.948879 -0.907040 -0.725712 19 1 0 3.654318 -2.786468 1.501699 20 6 0 2.015184 1.941079 -0.081241 21 1 0 -1.972167 -4.498007 -0.058103 22 6 0 -3.067529 0.858533 0.129952 23 1 0 -2.100759 1.268553 0.369779 24 7 0 -4.067844 1.750789 0.100019 25 6 0 -5.407490 1.301885 -0.229984 26 6 0 -3.808469 3.154720 0.323064 27 1 0 -6.073295 2.155476 -0.240261 28 1 0 -5.755047 0.582183 0.500823 29 1 0 -5.423804 0.826483 -1.202978 30 1 0 -4.647179 3.606454 0.839234 31 1 0 -3.649287 3.693824 -0.608367 32 1 0 -2.931236 3.277801 0.946946 33 7 0 3.008939 2.832677 -0.077577 34 1 0 1.021900 2.359989 -0.120060 35 6 0 2.690891 4.248389 -0.039681 36 6 0 4.382200 2.367730 -0.007052 37 1 0 3.602758 4.823226 -0.123029 38 1 0 2.203822 4.523666 0.891019 39 1 0 2.045478 4.522405 -0.867491 40 1 0 5.050063 3.204252 -0.160864 41 1 0 4.561940 1.627351 -0.775263 42 1 0 4.591141 1.916939 0.956947 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3229170 0.1988289 0.1266437 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.0145245695 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.64D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999966 0.001446 -0.000727 0.008066 Ang= 0.94 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37382862 A.U. after 14 cycles NFock= 14 Conv=0.33D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.003285451 -0.003774834 -0.000123733 2 6 0.001922250 0.000236436 0.002025057 3 8 0.003228318 -0.001359988 -0.000160113 4 7 0.002039264 0.001325823 0.000437400 5 6 -0.003884338 -0.004198974 0.002902425 6 6 -0.002856013 0.002361045 -0.001067860 7 7 -0.002048240 -0.001510121 0.000379182 8 6 -0.000935639 -0.000635803 -0.000657865 9 7 0.004139278 0.004057921 0.000584567 10 6 0.005197995 0.001148851 -0.000063973 11 7 0.000968003 -0.005882446 0.003475152 12 6 -0.005712918 0.003006484 -0.003053828 13 7 0.005453895 0.001816285 -0.001159626 14 1 -0.001386555 0.000067180 -0.000646015 15 1 -0.000174471 0.000093615 0.000406643 16 1 0.000122382 -0.000174681 0.000009169 17 7 -0.000548615 0.001030545 -0.000905156 18 1 0.001704092 0.001690057 -0.001007661 19 1 -0.001971077 0.000965137 -0.000629757 20 6 0.000944015 0.000408437 -0.000340912 21 1 0.000203628 -0.000326569 0.000741437 22 6 -0.001489431 -0.000276754 -0.001077702 23 1 -0.000462341 0.000158777 -0.000371686 24 7 0.000656422 -0.001894060 -0.001797233 25 6 -0.000044795 0.000868330 0.001277305 26 6 -0.000693770 0.000394703 0.000577426 27 1 0.000724598 -0.000499582 0.000031816 28 1 -0.000215958 0.000427379 0.000481517 29 1 -0.000279936 0.000138148 -0.000570679 30 1 0.000559813 -0.000616359 0.000210361 31 1 -0.000686857 0.000034073 -0.000538521 32 1 0.000037553 0.000649919 0.000846960 33 7 -0.000534234 0.000641328 0.002021804 34 1 -0.000549527 0.000201390 -0.000315521 35 6 -0.000514381 -0.000489652 -0.000650005 36 6 0.000722779 -0.000509410 -0.000542580 37 1 0.000337970 0.001211799 -0.000343169 38 1 -0.000546208 -0.000304742 0.000515502 39 1 -0.000186487 -0.000347003 -0.000591030 40 1 0.000159136 0.000632807 -0.000514750 41 1 -0.000434911 -0.000695517 -0.000376345 42 1 0.000320762 -0.000069977 0.000581994 ------------------------------------------------------------------- Cartesian Forces: Max 0.005882446 RMS 0.001691196 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004534445 RMS 0.001167822 Search for a local minimum. Step number 5 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 5 DE= -1.62D-03 DEPred=-1.73D-03 R= 9.41D-01 TightC=F SS= 1.41D+00 RLast= 2.71D-01 DXNew= 1.4270D+00 8.1373D-01 Trust test= 9.41D-01 RLast= 2.71D-01 DXMaxT set to 8.49D-01 ITU= 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00231 0.00627 0.01055 0.01170 0.01191 Eigenvalues --- 0.01201 0.01212 0.01264 0.01442 0.01503 Eigenvalues --- 0.01544 0.01765 0.02021 0.02140 0.02251 Eigenvalues --- 0.02272 0.02321 0.02327 0.02372 0.02594 Eigenvalues --- 0.02596 0.02689 0.02720 0.02842 0.02929 Eigenvalues --- 0.03297 0.03475 0.05102 0.05408 0.05741 Eigenvalues --- 0.05762 0.07345 0.07423 0.07595 0.07628 Eigenvalues --- 0.07657 0.07687 0.07752 0.07760 0.08460 Eigenvalues --- 0.15667 0.15868 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16003 0.16158 0.16543 0.18274 Eigenvalues --- 0.20440 0.21960 0.22093 0.23488 0.23859 Eigenvalues --- 0.24308 0.24910 0.24938 0.24941 0.24963 Eigenvalues --- 0.24973 0.24990 0.24995 0.24999 0.26751 Eigenvalues --- 0.27567 0.30585 0.32782 0.33170 0.33301 Eigenvalues --- 0.33371 0.33491 0.33511 0.33566 0.33591 Eigenvalues --- 0.33624 0.33630 0.33659 0.33688 0.33697 Eigenvalues --- 0.33776 0.33794 0.35444 0.36189 0.37189 Eigenvalues --- 0.37625 0.38853 0.39070 0.39637 0.39867 Eigenvalues --- 0.39993 0.40266 0.40653 0.41810 0.42116 Eigenvalues --- 0.43905 0.47200 0.48564 0.49735 0.51574 Eigenvalues --- 0.54377 0.54822 0.59275 0.60427 0.66013 Eigenvalues --- 0.68543 0.71223 0.74529 0.76856 0.87962 RFO step: Lambda=-2.05512292D-03 EMin= 2.30526118D-03 Quartic linear search produced a step of -0.00549. Iteration 1 RMS(Cart)= 0.09371171 RMS(Int)= 0.00340202 Iteration 2 RMS(Cart)= 0.00544652 RMS(Int)= 0.00005114 Iteration 3 RMS(Cart)= 0.00001868 RMS(Int)= 0.00005044 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005044 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87389 0.00074 -0.00003 0.00587 0.00584 2.87973 R2 2.64652 0.00093 0.00004 -0.00122 -0.00118 2.64534 R3 2.73139 0.00124 -0.00000 0.00460 0.00460 2.73598 R4 2.04406 -0.00090 -0.00003 0.00238 0.00235 2.04640 R5 2.05521 -0.00012 -0.00002 0.00281 0.00279 2.05800 R6 2.05010 -0.00014 -0.00001 0.00175 0.00174 2.05184 R7 2.04101 -0.00251 -0.00004 -0.00045 -0.00049 2.04052 R8 1.79457 -0.00226 0.00002 -0.00096 -0.00094 1.79363 R9 2.60693 0.00026 0.00004 0.00154 0.00158 2.60851 R10 2.40651 0.00184 0.00001 0.00218 0.00219 2.40870 R11 2.65839 -0.00148 0.00011 -0.01475 -0.01464 2.64375 R12 2.50328 0.00364 -0.00005 0.01311 0.01306 2.51634 R13 2.61737 -0.00012 0.00001 -0.00065 -0.00068 2.61669 R14 2.60026 0.00407 0.00000 0.00664 0.00663 2.60689 R15 2.44084 -0.00003 0.00003 -0.00359 -0.00357 2.43726 R16 2.59679 0.00362 0.00003 0.00271 0.00276 2.59956 R17 2.59890 -0.00194 -0.00001 -0.00059 -0.00060 2.59830 R18 2.59751 -0.00166 -0.00000 -0.00121 -0.00119 2.59632 R19 2.49951 -0.00368 0.00007 -0.01446 -0.01438 2.48513 R20 2.47915 0.00371 -0.00009 0.01646 0.01637 2.49552 R21 2.50165 -0.00271 0.00012 -0.01527 -0.01515 2.48651 R22 2.03247 -0.00027 0.00002 -0.00171 -0.00169 2.03078 R23 2.41022 0.00007 0.00000 -0.00021 -0.00020 2.41001 R24 2.52298 0.00021 0.00000 0.00023 0.00023 2.52322 R25 2.03846 0.00062 0.00005 -0.00466 -0.00461 2.03385 R26 2.03554 -0.00026 0.00005 -0.00740 -0.00735 2.02820 R27 2.53368 -0.00035 0.00000 -0.00061 -0.00061 2.53306 R28 2.74178 0.00055 0.00001 -0.00039 -0.00037 2.74140 R29 2.73067 0.00049 0.00002 -0.00156 -0.00154 2.72913 R30 2.04581 -0.00081 -0.00003 0.00172 0.00169 2.04751 R31 2.04654 -0.00044 -0.00001 0.00080 0.00079 2.04733 R32 2.04666 -0.00042 -0.00002 0.00133 0.00131 2.04798 R33 2.04748 -0.00067 -0.00003 0.00264 0.00261 2.05009 R34 2.05584 -0.00018 -0.00001 0.00101 0.00100 2.05684 R35 2.04747 -0.00072 -0.00002 0.00109 0.00107 2.04854 R36 2.74292 0.00085 0.00002 -0.00141 -0.00139 2.74154 R37 2.74303 0.00065 0.00001 -0.00069 -0.00068 2.74235 R38 2.04308 -0.00124 -0.00003 0.00186 0.00183 2.04491 R39 2.05209 -0.00022 -0.00001 0.00125 0.00123 2.05332 R40 2.05008 -0.00043 -0.00002 0.00105 0.00103 2.05111 R41 2.04359 -0.00079 -0.00003 0.00159 0.00157 2.04516 R42 2.04459 -0.00083 -0.00003 0.00157 0.00154 2.04613 R43 2.04943 -0.00025 -0.00001 0.00084 0.00083 2.05025 A1 1.94584 0.00024 0.00005 0.00731 0.00732 1.95317 A2 1.98334 0.00316 0.00017 0.00042 0.00052 1.98386 A3 1.91084 -0.00117 -0.00009 -0.00685 -0.00694 1.90390 A4 1.86759 -0.00046 0.00007 0.00787 0.00790 1.87549 A5 1.92152 0.00011 -0.00002 -0.00440 -0.00439 1.91713 A6 1.83083 -0.00201 -0.00019 -0.00504 -0.00524 1.82559 A7 1.89647 0.00070 -0.00005 0.00977 0.00972 1.90620 A8 1.92900 0.00029 0.00005 -0.00342 -0.00339 1.92561 A9 1.94243 -0.00108 0.00000 -0.00631 -0.00631 1.93612 A10 1.88185 -0.00036 -0.00001 0.00008 0.00006 1.88192 A11 1.90349 0.00010 0.00001 -0.00103 -0.00101 1.90249 A12 1.90938 0.00037 0.00001 0.00118 0.00116 1.91054 A13 1.90422 0.00052 0.00004 0.00210 0.00214 1.90636 A14 2.09509 0.00203 0.00011 0.00452 0.00463 2.09972 A15 2.21382 0.00261 0.00003 0.01001 0.01004 2.22387 A16 2.01838 -0.00164 -0.00002 -0.00535 -0.00537 2.01302 A17 2.05067 -0.00096 -0.00001 -0.00464 -0.00465 2.04601 A18 2.33999 0.00009 0.00004 -0.00275 -0.00271 2.33728 A19 2.03100 0.00008 -0.00003 0.00518 0.00516 2.03616 A20 1.91217 -0.00017 -0.00001 -0.00244 -0.00246 1.90971 A21 1.84181 -0.00057 -0.00001 0.00254 0.00252 1.84433 A22 1.97120 0.00132 0.00001 0.00022 0.00028 1.97148 A23 2.23199 -0.00453 -0.00001 -0.01209 -0.01213 2.21986 A24 2.07999 0.00322 -0.00000 0.01188 0.01185 2.09183 A25 2.27903 0.00355 0.00016 -0.00843 -0.00845 2.27058 A26 2.15302 -0.00232 -0.00013 0.00548 0.00511 2.15813 A27 1.84630 -0.00127 -0.00003 -0.00017 -0.00028 1.84601 A28 1.85311 0.00069 0.00003 -0.00019 -0.00012 1.85300 A29 2.20374 0.00118 0.00004 -0.00066 -0.00063 2.20311 A30 2.22612 -0.00188 -0.00008 0.00082 0.00071 2.22683 A31 1.95818 -0.00163 -0.00004 -0.00001 -0.00003 1.95815 A32 2.23151 0.00151 0.00004 -0.00284 -0.00286 2.22865 A33 2.03515 -0.00138 0.00003 -0.00990 -0.00993 2.02522 A34 2.01651 -0.00012 -0.00006 0.01285 0.01273 2.02924 A35 2.09123 -0.00018 0.00000 0.00299 0.00300 2.09423 A36 2.04309 -0.00429 -0.00005 -0.00642 -0.00646 2.03663 A37 2.14117 0.00151 0.00005 -0.00045 -0.00041 2.14076 A38 2.13099 -0.00060 0.00002 -0.00373 -0.00372 2.12727 A39 2.01102 -0.00091 -0.00007 0.00420 0.00413 2.01515 A40 2.16001 0.00032 0.00005 -0.00339 -0.00334 2.15667 A41 2.11749 0.00035 0.00002 -0.00114 -0.00112 2.11637 A42 2.00565 -0.00068 -0.00007 0.00450 0.00443 2.01007 A43 2.08066 0.00008 0.00000 0.00006 -0.00018 2.08048 A44 2.10505 0.00043 -0.00002 0.00361 0.00335 2.10840 A45 2.09607 -0.00052 0.00002 -0.00568 -0.00588 2.09019 A46 1.90293 -0.00069 -0.00004 0.00050 0.00046 1.90339 A47 1.92671 0.00066 0.00005 -0.00302 -0.00297 1.92375 A48 1.93270 0.00071 0.00004 -0.00117 -0.00114 1.93156 A49 1.91030 -0.00010 -0.00001 0.00072 0.00070 1.91100 A50 1.90530 -0.00005 -0.00002 0.00184 0.00182 1.90713 A51 1.88567 -0.00054 -0.00002 0.00120 0.00118 1.88685 A52 1.91736 0.00011 -0.00001 0.00176 0.00175 1.91911 A53 1.95580 0.00085 0.00007 -0.00382 -0.00375 1.95205 A54 1.92259 -0.00030 0.00001 -0.00295 -0.00295 1.91963 A55 1.89077 -0.00040 -0.00002 0.00152 0.00150 1.89227 A56 1.88080 0.00004 -0.00003 0.00346 0.00343 1.88422 A57 1.89466 -0.00033 -0.00002 0.00037 0.00034 1.89501 A58 2.08097 -0.00047 -0.00002 0.00076 0.00062 2.08158 A59 2.08335 0.00030 0.00003 -0.00262 -0.00271 2.08064 A60 2.11583 0.00014 -0.00000 -0.00026 -0.00039 2.11544 A61 1.90897 -0.00053 -0.00004 0.00136 0.00131 1.91028 A62 1.94755 0.00106 0.00005 -0.00077 -0.00072 1.94683 A63 1.93563 0.00043 0.00005 -0.00355 -0.00351 1.93212 A64 1.88556 -0.00024 -0.00003 0.00240 0.00237 1.88793 A65 1.88458 -0.00012 -0.00003 0.00156 0.00153 1.88611 A66 1.89982 -0.00064 -0.00001 -0.00076 -0.00077 1.89904 A67 1.90666 -0.00060 -0.00003 0.00007 0.00004 1.90670 A68 1.91969 0.00042 0.00002 -0.00064 -0.00062 1.91907 A69 1.93756 0.00088 0.00005 -0.00122 -0.00117 1.93639 A70 1.90260 -0.00007 -0.00002 0.00092 0.00091 1.90351 A71 1.90602 -0.00013 -0.00002 0.00139 0.00138 1.90740 A72 1.89092 -0.00050 -0.00000 -0.00048 -0.00048 1.89043 D1 1.14353 -0.00081 -0.00016 0.00706 0.00689 1.15041 D2 -3.07803 -0.00065 -0.00018 0.01107 0.01087 -3.06716 D3 -0.95270 -0.00072 -0.00014 0.00591 0.00577 -0.94693 D4 -3.02740 0.00105 0.00010 0.02312 0.02321 -3.00419 D5 -0.96577 0.00120 0.00007 0.02713 0.02720 -0.93858 D6 1.15956 0.00114 0.00012 0.02197 0.02210 1.18166 D7 -0.98699 -0.00030 -0.00010 0.01246 0.01236 -0.97463 D8 1.07464 -0.00015 -0.00012 0.01647 0.01635 1.09099 D9 -3.08321 -0.00021 -0.00008 0.01131 0.01125 -3.07197 D10 -1.08555 0.00157 0.00023 -0.01231 -0.01204 -1.09759 D11 3.01913 -0.00222 -0.00006 -0.02300 -0.02309 2.99603 D12 1.03879 0.00033 0.00014 -0.01910 -0.01896 1.01983 D13 -0.89976 -0.00238 0.00028 -0.14883 -0.14853 -1.04829 D14 2.36294 -0.00180 0.00017 -0.10977 -0.10962 2.25332 D15 1.25580 -0.00034 0.00051 -0.13352 -0.13299 1.12281 D16 -1.76469 0.00024 0.00040 -0.09447 -0.09407 -1.85877 D17 -2.98629 -0.00139 0.00043 -0.13737 -0.13694 -3.12324 D18 0.27640 -0.00081 0.00031 -0.09832 -0.09803 0.17837 D19 -0.23587 -0.00084 0.00025 -0.08931 -0.08907 -0.32494 D20 2.93353 -0.00105 0.00016 -0.09026 -0.09010 2.84344 D21 -0.01341 -0.00025 -0.00000 -0.00767 -0.00767 -0.02108 D22 3.13818 -0.00020 -0.00000 -0.00469 -0.00470 3.13348 D23 0.00909 -0.00008 -0.00005 0.00237 0.00234 0.01143 D24 -3.12399 -0.00009 -0.00008 0.00342 0.00335 -3.12064 D25 3.12242 0.00014 0.00004 0.00332 0.00338 3.12580 D26 -0.01066 0.00012 0.00001 0.00438 0.00439 -0.00628 D27 3.12647 0.00025 0.00006 0.00212 0.00221 3.12868 D28 0.00997 -0.00000 -0.00002 0.00102 0.00104 0.01101 D29 -3.13634 0.00018 0.00000 0.00475 0.00475 -3.13159 D30 -0.00284 0.00020 0.00003 0.00378 0.00383 0.00099 D31 3.12653 -0.00022 -0.00002 -0.00554 -0.00555 3.12098 D32 0.00601 -0.00005 0.00001 -0.00371 -0.00373 0.00228 D33 -0.00857 -0.00023 -0.00004 -0.00473 -0.00477 -0.01335 D34 -3.12909 -0.00006 -0.00001 -0.00289 -0.00295 -3.13204 D35 0.01366 -0.00010 -0.00001 -0.00136 -0.00139 0.01227 D36 -3.12948 0.00049 0.00011 0.00452 0.00453 -3.12495 D37 -3.05570 0.00059 -0.00011 0.03192 0.03167 -3.02403 D38 -0.01916 -0.00004 -0.00001 -0.00153 -0.00154 -0.02070 D39 0.08729 0.00006 -0.00022 0.02662 0.02625 0.11354 D40 3.12383 -0.00057 -0.00013 -0.00683 -0.00696 3.11687 D41 -0.02863 0.00041 -0.00017 0.03376 0.03362 0.00499 D42 3.11133 0.00103 -0.00003 0.03996 0.03990 -3.13196 D43 3.06205 0.00001 0.00014 -0.02769 -0.02773 3.03431 D44 -0.10098 -0.00011 0.00011 -0.02958 -0.02961 -0.13059 D45 0.01595 0.00014 0.00003 0.00373 0.00377 0.01972 D46 3.13611 0.00002 0.00000 0.00185 0.00189 3.13800 D47 -0.00014 -0.00011 -0.00002 -0.00247 -0.00245 -0.00258 D48 -3.11620 0.00004 0.00002 -0.00023 -0.00022 -3.11642 D49 -0.00111 0.00026 0.00000 0.00903 0.00900 0.00790 D50 -3.13581 -0.00043 -0.00006 -0.01176 -0.01172 3.13566 D51 -0.00413 -0.00021 0.00002 -0.00864 -0.00863 -0.01276 D52 3.13064 0.00047 0.00008 0.01188 0.01206 -3.14049 D53 -3.14032 -0.00004 -0.00009 0.00791 0.00783 -3.13249 D54 -0.00354 0.00033 -0.00003 0.01179 0.01175 0.00821 D55 -3.07922 0.00051 -0.00009 0.02894 0.02885 -3.05037 D56 -0.02025 0.00019 0.00003 0.00014 0.00018 -0.02007 D57 0.06688 0.00016 -0.00014 0.02533 0.02518 0.09206 D58 3.12586 -0.00015 -0.00003 -0.00347 -0.00350 3.12236 D59 -0.02255 -0.00015 0.00007 -0.01601 -0.01601 -0.03856 D60 -3.10717 0.00027 -0.00011 0.02466 0.02461 -3.08256 D61 3.12821 -0.00011 0.00006 -0.01323 -0.01323 3.11498 D62 0.04359 0.00031 -0.00011 0.02744 0.02739 0.07098 D63 -3.10737 0.00005 -0.00006 0.00958 0.00948 -3.09789 D64 1.07675 0.00020 -0.00005 0.01024 0.01015 1.08690 D65 -1.01076 -0.00001 -0.00008 0.01145 0.01132 -0.99945 D66 -0.02245 -0.00033 0.00012 -0.03056 -0.03040 -0.05286 D67 -2.12152 -0.00019 0.00013 -0.02990 -0.02973 -2.15125 D68 2.07415 -0.00040 0.00009 -0.02870 -0.02856 2.04559 D69 -2.54886 0.00047 -0.00015 0.04659 0.04645 -2.50241 D70 1.63162 0.00035 -0.00016 0.04598 0.04583 1.67745 D71 -0.47962 0.00041 -0.00019 0.05012 0.04993 -0.42969 D72 0.65021 0.00088 -0.00032 0.08743 0.08710 0.73731 D73 -1.45249 0.00075 -0.00033 0.08681 0.08648 -1.36601 D74 2.71945 0.00081 -0.00036 0.09095 0.09058 2.81003 D75 -3.06200 0.00024 -0.00004 0.01675 0.01670 -3.04530 D76 1.13591 0.00022 -0.00001 0.01336 0.01334 1.14926 D77 -0.98535 0.00002 -0.00007 0.01735 0.01727 -0.96809 D78 0.16380 0.00055 -0.00015 0.04622 0.04608 0.20987 D79 -1.92148 0.00054 -0.00012 0.04283 0.04272 -1.87876 D80 2.24045 0.00033 -0.00019 0.04682 0.04664 2.28709 D81 2.99721 0.00022 -0.00009 0.02409 0.02399 3.02119 D82 0.90957 0.00042 -0.00006 0.02330 0.02323 0.93279 D83 -1.18305 0.00022 -0.00010 0.02510 0.02498 -1.15806 D84 -0.22870 -0.00014 0.00002 -0.00526 -0.00522 -0.23392 D85 -2.31634 0.00007 0.00005 -0.00604 -0.00598 -2.32232 D86 1.87423 -0.00014 0.00002 -0.00425 -0.00422 1.87001 Item Value Threshold Converged? Maximum Force 0.004534 0.000450 NO RMS Force 0.001168 0.000300 NO Maximum Displacement 0.366995 0.001800 NO RMS Displacement 0.094662 0.001200 NO Predicted change in Energy=-1.196136D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.996793 -4.882764 2.135775 2 6 0 7.130803 -5.280864 3.600629 3 8 0 7.011753 -5.996816 1.288276 4 7 0 2.962820 -0.864538 0.018981 5 6 0 4.196927 -1.410578 0.309202 6 6 0 4.459227 -2.616090 0.968880 7 7 0 3.659528 -3.609925 1.507531 8 6 0 4.471955 -4.481259 2.001676 9 7 0 5.793317 -4.132142 1.845266 10 6 0 5.786118 -2.938443 1.165066 11 7 0 6.823474 -2.220505 0.793748 12 6 0 6.465691 -1.106420 0.181612 13 7 0 5.245504 -0.679325 -0.063476 14 1 0 7.806256 -4.212100 1.875631 15 1 0 8.116155 -5.714331 3.765584 16 1 0 7.041036 -4.406987 4.238759 17 7 0 4.145200 -5.660380 2.628905 18 1 0 6.377870 -6.004951 3.874033 19 1 0 7.849317 -6.436684 1.365007 20 6 0 2.902817 -5.929431 2.731609 21 1 0 7.267120 -0.468739 -0.143862 22 6 0 1.918289 -1.594994 0.027182 23 1 0 1.932185 -2.648096 0.233829 24 7 0 0.709272 -1.082910 -0.242683 25 6 0 0.584656 0.338970 -0.501953 26 6 0 -0.476540 -1.903086 -0.159861 27 1 0 -0.460417 0.580337 -0.655320 28 1 0 1.151527 0.609790 -1.384599 29 1 0 0.965948 0.914961 0.333122 30 1 0 -1.173882 -1.625976 -0.943343 31 1 0 -0.977456 -1.795013 0.800396 32 1 0 -0.215949 -2.946239 -0.297954 33 7 0 2.452151 -7.036305 3.327062 34 1 0 2.144770 -5.272706 2.341193 35 6 0 1.030856 -7.326195 3.302832 36 6 0 3.405278 -7.991228 3.861504 37 1 0 0.830890 -8.199831 3.909259 38 1 0 0.681735 -7.527082 2.293677 39 1 0 0.462926 -6.496077 3.710823 40 1 0 2.873127 -8.757496 4.410059 41 1 0 4.093908 -7.490912 4.530727 42 1 0 3.979048 -8.453640 3.065216 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523889 0.000000 3 O 1.399853 2.423579 0.000000 4 N 6.074529 7.050123 6.659223 0.000000 5 C 4.819927 5.866876 5.469498 1.380365 0.000000 6 C 3.597040 4.600483 4.248142 2.491883 1.399012 7 N 3.626589 4.384387 4.121011 3.199740 2.561624 8 C 2.560078 3.203981 3.042438 4.391952 3.516985 9 N 1.447820 2.487916 2.296047 4.693002 3.509254 10 C 2.487649 3.636906 3.297121 3.685865 2.364826 11 N 2.986420 4.163992 3.813205 4.164560 2.790970 12 C 4.285044 5.436731 5.043695 3.514977 2.292615 13 N 5.056938 6.176907 5.763903 2.291669 1.331591 14 H 1.082911 2.138717 2.039959 6.173507 4.830060 15 H 2.144936 1.089046 2.727005 8.007146 6.769727 16 H 2.156586 1.085786 3.351681 6.854730 5.701652 17 N 2.996573 3.162611 3.182390 5.586576 4.841953 18 H 2.159609 1.079796 2.662333 7.276527 6.210700 19 H 1.932756 2.617286 0.949149 7.532493 6.302096 20 C 4.267454 4.364825 4.355583 5.745877 5.287987 21 H 4.975283 6.098881 5.716281 4.325526 3.243211 22 C 6.406778 7.316110 6.849071 1.274629 2.303418 23 H 5.853324 6.729966 6.174771 2.071098 2.581896 24 N 7.721973 8.580788 8.137049 2.279174 3.546220 25 C 8.679840 9.553311 9.200798 2.715781 4.094801 26 C 8.366549 9.133583 8.656227 3.597189 4.722698 27 H 9.656380 10.492540 10.142477 3.776360 5.156055 28 H 8.759471 9.762379 9.226795 2.724786 4.028066 29 H 8.557703 9.331146 9.232375 2.693102 3.980946 30 H 9.319204 10.147595 9.544055 4.314876 5.519135 31 H 8.654831 9.259391 9.039947 4.123369 5.211842 32 H 7.854732 8.638529 8.003863 3.812939 4.711727 33 N 5.168237 5.004618 5.101682 7.021033 6.618197 34 H 4.871999 5.142642 5.031947 5.049141 4.822485 35 C 6.551701 6.440607 6.449559 7.501279 7.347132 36 C 5.053678 4.614505 4.858585 8.108666 7.520007 37 H 7.222641 6.950146 7.065826 8.572394 8.389551 38 H 6.848161 6.952992 6.589513 7.400479 7.328460 39 H 6.911945 6.778604 7.000367 7.182856 7.167712 40 H 6.098404 5.556073 5.873254 9.032630 8.517433 41 H 4.578752 3.869384 4.610817 8.095928 7.402860 42 H 4.766739 4.504079 4.288450 8.240555 7.566227 6 7 8 9 10 6 C 0.000000 7 N 1.384692 0.000000 8 C 2.132061 1.289744 0.000000 9 N 2.201423 2.222574 1.375626 0.000000 10 C 1.379507 2.256226 2.192538 1.373915 0.000000 11 N 2.403503 3.528531 3.478468 2.412731 1.315074 12 C 2.631501 3.987500 4.321708 3.517787 2.187535 13 N 2.331319 3.683992 4.395217 3.983132 2.627773 14 H 3.817335 4.206360 3.347521 2.014755 2.491598 15 H 5.549214 5.421148 4.232261 3.403897 4.460642 16 H 4.534883 4.419220 3.407380 2.713144 3.630294 17 N 3.481665 2.386990 1.374959 2.380314 3.499197 18 H 4.858547 4.327339 3.075691 2.822235 4.134265 19 H 5.123140 5.056205 3.954189 3.125492 4.066259 20 C 4.062986 2.729668 2.256590 3.517221 4.439988 21 H 3.705884 5.060521 5.340094 4.421453 3.163241 22 C 2.895824 3.046850 4.330169 4.975781 4.249675 23 H 2.631970 2.351839 3.596693 4.439310 3.975463 24 N 4.228556 4.260641 5.544700 6.285289 5.585617 25 C 5.089993 5.393203 6.679360 7.254684 6.369897 26 C 5.113142 4.774993 5.983880 6.949845 6.484465 27 H 6.087534 6.261802 7.550342 8.220072 7.396946 28 H 5.185176 5.697410 6.957792 7.379984 6.369472 29 H 5.007545 5.395295 6.647958 7.145861 6.226949 30 H 6.030658 5.771021 6.978628 7.911958 7.389827 31 H 5.500916 5.029470 6.193147 7.238598 6.869232 32 H 4.855011 4.326613 5.442520 6.489302 6.177807 33 N 5.397006 4.063069 3.516322 4.668327 5.708068 34 H 3.781211 2.398817 2.481420 3.854702 4.482351 35 C 6.275838 4.893228 4.650573 5.916715 6.814318 36 C 6.194367 4.980125 4.112984 4.965933 6.202404 37 H 7.279342 5.902265 5.542924 6.740315 7.730918 38 H 6.335800 4.982910 4.871146 6.152639 6.955868 39 H 6.208299 4.837627 4.801353 6.122220 6.890140 40 H 7.216251 5.961591 5.161662 6.041488 7.271649 41 H 6.048479 4.938670 3.949308 4.623963 5.908996 42 H 6.221107 5.098043 4.141725 4.843057 6.106838 11 12 13 14 15 11 N 0.000000 12 C 1.320570 0.000000 13 N 2.366444 1.315802 0.000000 14 H 2.470381 3.783129 4.774733 0.000000 15 H 4.765465 6.066443 6.946482 2.434062 0.000000 16 H 4.086091 5.261674 5.968972 2.491569 1.757533 17 N 4.730084 5.666787 5.768057 4.008524 4.130791 18 H 4.899873 6.134924 6.719265 3.041088 1.765745 19 H 4.376626 5.632634 6.478240 2.282842 2.521065 20 C 5.734369 6.515980 6.392519 5.265514 5.319235 21 H 2.035834 1.074643 2.034144 4.287397 6.597034 22 C 5.003971 4.576180 3.452105 6.703295 8.328153 23 H 4.941766 4.788755 3.865557 6.296533 7.753488 24 N 6.304901 5.772083 4.557675 8.040290 9.611356 25 C 6.866775 6.094505 4.790897 8.860962 10.563039 26 C 7.368876 6.996132 5.852236 8.836259 10.186713 27 H 7.937228 7.177505 5.873208 9.884890 11.520626 28 H 6.702742 5.799891 4.490861 8.841105 10.724968 29 H 6.659875 5.861409 4.584064 8.686535 10.337058 30 H 8.205404 7.739414 6.548193 9.761020 11.188986 31 H 7.812528 7.500500 6.380930 9.173442 10.336690 32 H 7.160446 6.946887 5.917884 8.407297 9.674638 33 N 6.979834 7.820864 7.727209 6.224888 5.832740 34 H 5.796619 6.379035 6.041203 5.778759 6.154783 35 C 8.118990 8.829782 8.560150 7.592136 7.281051 36 C 7.375394 8.385005 8.500342 6.131403 5.233146 37 H 9.020522 9.796062 9.582769 8.288147 7.698925 38 H 8.254121 8.896059 8.560136 7.869096 7.792508 39 H 8.200392 8.805506 8.423360 7.906262 7.693247 40 H 8.450751 9.451203 9.534019 7.170754 6.096355 41 H 7.013754 8.080959 8.296420 5.619758 4.463200 42 H 7.218192 8.275277 8.475411 5.835520 5.010986 16 17 18 19 20 16 H 0.000000 17 N 3.542385 0.000000 18 H 1.768135 2.579514 0.000000 19 H 3.609909 3.990059 2.940538 0.000000 20 C 4.659849 1.275324 3.658801 5.156817 0.000000 21 H 5.896464 6.662414 6.898108 6.183204 7.558746 22 C 7.203279 5.315586 7.357571 7.772312 5.202939 23 H 6.725587 4.439333 6.654598 7.116559 4.236531 24 N 8.439434 6.403502 8.561941 9.067955 6.094819 25 C 9.310387 7.646694 9.641365 10.107934 7.424463 26 C 9.062634 6.576849 8.948773 9.602012 5.999343 27 H 10.251693 8.422849 10.518708 11.062187 8.072157 28 H 9.564336 8.024046 9.935928 10.103144 7.922853 29 H 8.971278 7.655937 9.471649 10.123845 7.506658 30 H 10.103122 7.571657 9.970531 10.482820 6.974559 31 H 9.107193 6.672789 9.015078 9.988784 5.989952 32 H 8.682130 5.912079 8.380909 8.944113 5.272987 33 N 5.366784 2.290635 4.095624 5.773959 1.335228 34 H 5.321996 2.057860 4.561240 5.903358 1.076266 35 C 6.746850 3.595588 5.537374 7.144074 2.404472 36 C 5.119359 2.738547 3.575158 5.329032 2.404191 37 H 7.284240 4.367238 5.965545 7.670738 3.291574 38 H 7.345682 3.948739 6.104127 7.309283 2.770826 39 H 6.922033 3.927860 5.937542 7.750171 2.689428 40 H 6.027249 3.792467 4.488546 6.278612 3.288772 41 H 4.275676 2.640153 2.802822 5.023572 2.663408 42 H 5.208490 2.832009 3.522018 4.683781 2.764271 21 22 23 24 25 21 H 0.000000 22 C 5.468794 0.000000 23 H 5.775273 1.073275 0.000000 24 N 6.587287 1.340440 2.042641 0.000000 25 C 6.740620 2.408065 3.358537 1.450687 0.000000 26 C 7.875397 2.421799 2.551859 1.444195 2.503992 27 H 7.815177 3.294862 4.115569 2.074809 1.083493 28 H 6.332704 2.728025 3.720558 2.089209 1.083398 29 H 6.468919 2.701930 3.693081 2.094976 1.083743 30 H 8.557387 3.241049 3.475358 2.081372 2.673628 31 H 8.403789 3.003865 3.084600 2.107168 2.947912 32 H 7.884040 2.546871 2.232972 2.081126 3.387504 33 N 8.852354 6.386086 5.393963 7.157068 8.517252 34 H 7.449300 4.351035 3.372648 5.127520 6.481384 35 C 9.889156 6.660638 5.667080 7.186982 8.569145 36 C 9.356528 7.604273 6.624130 8.475710 9.817732 37 H 10.845397 7.738013 6.748586 8.240387 9.614081 38 H 9.956360 6.469601 5.441609 6.925404 8.348637 39 H 9.873423 6.301422 5.390285 6.707703 8.029955 40 H 10.428272 8.451199 7.459962 9.231984 10.588231 41 H 9.012879 7.731564 6.825632 8.677770 9.947350 42 H 9.212396 7.779293 6.775747 8.715577 10.077528 26 27 28 29 30 26 C 0.000000 27 H 2.532416 0.000000 28 H 3.234985 1.769486 0.000000 29 H 3.203934 1.767345 1.754461 0.000000 30 H 1.084859 2.336622 3.255899 3.558735 0.000000 31 H 1.088434 2.833500 3.884565 3.367361 1.762890 32 H 1.084041 3.553057 3.961834 4.087054 1.754211 33 N 6.861910 9.075002 9.074918 8.625260 7.788205 34 H 4.947816 7.072779 7.033621 6.611293 5.924548 35 C 6.608525 8.966834 9.217724 8.760140 7.442001 36 C 8.264706 10.431540 10.323686 9.885343 9.196287 37 H 7.610264 9.979690 10.282858 9.792162 8.413230 38 H 6.244260 8.702375 8.941985 8.671369 6.981738 39 H 6.079503 8.366087 8.771023 8.159987 6.932409 40 H 8.893108 11.133988 11.148453 10.668419 9.792638 41 H 8.608972 10.619888 10.453232 9.902662 9.597527 42 H 8.553545 10.731447 10.485298 10.213412 9.446598 31 32 33 34 35 31 H 0.000000 32 H 1.763969 0.000000 33 N 6.754065 6.081788 0.000000 34 H 4.921047 4.236808 2.043698 0.000000 35 C 6.394489 5.805532 1.450759 2.526336 0.000000 36 C 8.183631 7.474375 1.451192 3.360147 2.528292 37 H 7.345532 6.811515 2.078758 3.571159 1.082118 38 H 6.151375 5.339148 2.107871 2.687925 1.086570 39 H 5.713606 5.397454 2.096696 2.490206 1.085402 40 H 8.736866 8.091877 2.076680 4.117580 2.582350 41 H 8.489839 7.908544 2.085867 3.676089 3.304109 42 H 8.604281 7.696776 2.099717 3.742609 3.165347 36 37 38 39 40 36 C 0.000000 37 H 2.583268 0.000000 38 H 3.176665 1.756401 0.000000 39 H 3.303879 1.754295 1.766112 0.000000 40 H 1.082249 2.175436 3.285603 3.378167 0.000000 41 H 1.082767 3.396479 4.080272 3.853047 1.763264 42 H 1.084947 3.269208 3.510848 4.075779 1.767481 41 42 41 H 0.000000 42 H 1.757202 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.521844 -2.268022 0.102592 2 6 0 3.555621 -2.010097 -0.986911 3 8 0 3.031315 -2.003189 1.379265 4 7 0 -3.255108 -0.404168 -0.127145 5 6 0 -2.193545 -1.284628 -0.069842 6 6 0 -0.829803 -0.972578 -0.061679 7 7 0 -0.115720 0.213388 -0.092363 8 6 0 1.127865 -0.128175 -0.075942 9 7 0 1.309554 -1.491521 -0.050968 10 6 0 0.048338 -2.035856 -0.024940 11 7 0 -0.274923 -3.310324 0.000598 12 6 0 -1.582682 -3.493540 -0.009529 13 7 0 -2.523519 -2.574519 -0.049011 14 1 0 2.195054 -3.298771 0.043762 15 1 0 4.370989 -2.724631 -0.883776 16 1 0 3.112593 -2.150677 -1.968183 17 7 0 2.219432 0.707883 -0.076255 18 1 0 3.953643 -1.009145 -0.911849 19 1 0 3.752521 -2.594155 1.556765 20 6 0 1.981391 1.960728 -0.089109 21 1 0 -1.916003 -4.515089 0.004395 22 6 0 -3.089107 0.823784 0.171612 23 1 0 -2.151484 1.234559 0.494174 24 7 0 -4.104346 1.697121 0.113713 25 6 0 -5.403869 1.242490 -0.343500 26 6 0 -3.889851 3.099481 0.384038 27 1 0 -6.085011 2.084766 -0.367462 28 1 0 -5.791424 0.483060 0.324945 29 1 0 -5.331466 0.812720 -1.335747 30 1 0 -4.745049 3.510173 0.910239 31 1 0 -3.742379 3.670356 -0.530863 32 1 0 -3.017144 3.226049 1.014521 33 7 0 2.951307 2.878308 -0.101190 34 1 0 0.977463 2.348633 -0.091732 35 6 0 2.600584 4.282400 -0.000100 36 6 0 4.336171 2.445423 -0.074365 37 1 0 3.490397 4.885829 -0.122923 38 1 0 2.163635 4.515921 0.966946 39 1 0 1.896278 4.558962 -0.778281 40 1 0 4.980946 3.303758 -0.211446 41 1 0 4.517144 1.736161 -0.872225 42 1 0 4.574296 1.965396 0.869023 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3219413 0.1985487 0.1266535 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1828.6914877766 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.59D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999968 0.003728 -0.000780 -0.007034 Ang= 0.92 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37496626 A.U. after 13 cycles NFock= 13 Conv=0.98D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000514767 -0.000537249 0.000704867 2 6 0.000350232 0.001125364 0.000041899 3 8 0.001536094 -0.001013858 -0.000272902 4 7 0.000372117 -0.000850106 0.001452281 5 6 -0.000190183 0.000076426 -0.001315461 6 6 -0.004423517 -0.000687738 0.000697872 7 7 -0.003677620 0.001369467 -0.000367836 8 6 -0.002773355 -0.001110421 -0.001341250 9 7 0.003956688 -0.000985834 0.000616093 10 6 0.002601452 0.000426518 0.000740149 11 7 0.003544298 0.000272023 -0.000756768 12 6 -0.001218024 -0.002820371 0.003169933 13 7 -0.000077500 0.002461459 -0.001926574 14 1 -0.002195725 0.000007049 -0.000044533 15 1 -0.001405992 0.000303217 -0.000396238 16 1 0.000258652 -0.000850773 -0.000509391 17 7 0.003243344 0.001122525 0.001136965 18 1 0.000042212 0.000518510 -0.000343521 19 1 -0.001621172 0.001034467 -0.000014727 20 6 0.002114175 -0.001152029 0.000151816 21 1 -0.000056429 0.000311634 -0.000733535 22 6 0.002766315 0.004311774 -0.000991972 23 1 -0.000708576 -0.003261395 0.000316978 24 7 -0.000186370 -0.002063903 -0.001401942 25 6 0.000368607 0.000850314 0.000997934 26 6 -0.000784590 0.000099247 0.000464350 27 1 0.001316102 -0.000715799 0.000061832 28 1 -0.000508814 0.000588602 0.000918593 29 1 -0.000587489 0.000224239 -0.000975881 30 1 0.000910813 -0.000951343 0.000765808 31 1 -0.000708459 -0.000240577 -0.000960857 32 1 -0.000409619 0.001154940 0.000758922 33 7 -0.000121996 0.000791007 0.002166624 34 1 -0.002087818 0.000861967 -0.000677420 35 6 -0.000914946 -0.000126088 -0.000772892 36 6 0.001124335 -0.000965260 -0.000343256 37 1 0.000433875 0.001844608 -0.000691499 38 1 -0.000742027 -0.000554505 0.000922363 39 1 -0.000091785 -0.000903590 -0.000708663 40 1 0.000468069 0.001041028 -0.000766946 41 1 -0.000582256 -0.000941226 -0.000787551 42 1 0.000152113 -0.000064322 0.001016336 ------------------------------------------------------------------- Cartesian Forces: Max 0.004423517 RMS 0.001383107 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004233403 RMS 0.000994101 Search for a local minimum. Step number 6 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 5 6 DE= -1.14D-03 DEPred=-1.20D-03 R= 9.51D-01 TightC=F SS= 1.41D+00 RLast= 4.04D-01 DXNew= 1.4270D+00 1.2126D+00 Trust test= 9.51D-01 RLast= 4.04D-01 DXMaxT set to 1.21D+00 ITU= 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00233 0.00486 0.01070 0.01163 0.01199 Eigenvalues --- 0.01203 0.01213 0.01266 0.01450 0.01525 Eigenvalues --- 0.01554 0.01774 0.02026 0.02138 0.02232 Eigenvalues --- 0.02274 0.02321 0.02327 0.02461 0.02597 Eigenvalues --- 0.02598 0.02689 0.02723 0.02844 0.02931 Eigenvalues --- 0.03295 0.03472 0.05143 0.05453 0.05669 Eigenvalues --- 0.05709 0.07379 0.07449 0.07605 0.07633 Eigenvalues --- 0.07674 0.07687 0.07752 0.07767 0.08404 Eigenvalues --- 0.15693 0.15855 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16003 0.16011 0.16123 0.16670 0.18390 Eigenvalues --- 0.20582 0.22026 0.22081 0.23548 0.23997 Eigenvalues --- 0.24530 0.24859 0.24881 0.24889 0.24902 Eigenvalues --- 0.24970 0.24983 0.24996 0.25213 0.27009 Eigenvalues --- 0.27602 0.32761 0.33090 0.33161 0.33301 Eigenvalues --- 0.33389 0.33491 0.33520 0.33586 0.33613 Eigenvalues --- 0.33624 0.33647 0.33676 0.33687 0.33749 Eigenvalues --- 0.33792 0.34258 0.35663 0.35925 0.37381 Eigenvalues --- 0.37741 0.39032 0.39221 0.39823 0.39988 Eigenvalues --- 0.40173 0.40623 0.40683 0.42061 0.42731 Eigenvalues --- 0.45863 0.47230 0.48671 0.50138 0.52252 Eigenvalues --- 0.54094 0.54615 0.59272 0.59547 0.66408 Eigenvalues --- 0.67083 0.71108 0.75203 0.77801 0.87684 RFO step: Lambda=-1.23474000D-03 EMin= 2.32681780D-03 Quartic linear search produced a step of 0.11102. Iteration 1 RMS(Cart)= 0.07958489 RMS(Int)= 0.00236095 Iteration 2 RMS(Cart)= 0.00384789 RMS(Int)= 0.00004404 Iteration 3 RMS(Cart)= 0.00000703 RMS(Int)= 0.00004392 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004392 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87973 -0.00151 0.00065 -0.00318 -0.00253 2.87720 R2 2.64534 0.00016 -0.00013 0.00057 0.00044 2.64578 R3 2.73598 -0.00257 0.00051 -0.00409 -0.00358 2.73241 R4 2.04640 -0.00163 0.00026 -0.00346 -0.00320 2.04320 R5 2.05800 -0.00145 0.00031 -0.00303 -0.00272 2.05528 R6 2.05184 -0.00101 0.00019 -0.00216 -0.00197 2.04987 R7 2.04052 -0.00046 -0.00005 -0.00064 -0.00070 2.03982 R8 1.79363 -0.00191 -0.00010 -0.00117 -0.00128 1.79236 R9 2.60851 -0.00228 0.00018 -0.00250 -0.00232 2.60619 R10 2.40870 -0.00120 0.00024 0.00017 0.00042 2.40912 R11 2.64375 -0.00040 -0.00162 -0.00752 -0.00915 2.63460 R12 2.51634 0.00074 0.00145 0.00959 0.01104 2.52739 R13 2.61669 0.00095 -0.00008 0.00271 0.00262 2.61931 R14 2.60689 0.00379 0.00074 0.01097 0.01168 2.61857 R15 2.43726 0.00216 -0.00040 0.00106 0.00067 2.43793 R16 2.59956 0.00119 0.00031 0.00207 0.00239 2.60195 R17 2.59830 -0.00124 -0.00007 -0.00253 -0.00260 2.59569 R18 2.59632 -0.00123 -0.00013 -0.00231 -0.00244 2.59388 R19 2.48513 0.00118 -0.00160 -0.00398 -0.00558 2.47955 R20 2.49552 -0.00048 0.00182 0.00822 0.01004 2.50555 R21 2.48651 0.00132 -0.00168 -0.00135 -0.00302 2.48348 R22 2.03078 0.00037 -0.00019 0.00123 0.00104 2.03182 R23 2.41001 0.00024 -0.00002 -0.00017 -0.00019 2.40982 R24 2.52322 0.00001 0.00003 0.00014 0.00017 2.52338 R25 2.03385 0.00224 -0.00051 0.00390 0.00339 2.03723 R26 2.02820 0.00325 -0.00082 0.00478 0.00397 2.03216 R27 2.53306 0.00000 -0.00007 -0.00019 -0.00026 2.53281 R28 2.74140 0.00070 -0.00004 0.00150 0.00146 2.74286 R29 2.72913 0.00084 -0.00017 0.00108 0.00091 2.73004 R30 2.04751 -0.00144 0.00019 -0.00318 -0.00299 2.04452 R31 2.04733 -0.00087 0.00009 -0.00213 -0.00204 2.04528 R32 2.04798 -0.00084 0.00015 -0.00177 -0.00163 2.04635 R33 2.05009 -0.00138 0.00029 -0.00258 -0.00229 2.04780 R34 2.05684 -0.00055 0.00011 -0.00116 -0.00105 2.05579 R35 2.04854 -0.00131 0.00012 -0.00320 -0.00309 2.04546 R36 2.74154 0.00126 -0.00015 0.00215 0.00200 2.74354 R37 2.74235 0.00105 -0.00008 0.00209 0.00201 2.74437 R38 2.04491 -0.00196 0.00020 -0.00445 -0.00424 2.04066 R39 2.05332 -0.00052 0.00014 -0.00091 -0.00077 2.05255 R40 2.05111 -0.00091 0.00011 -0.00215 -0.00203 2.04908 R41 2.04516 -0.00136 0.00017 -0.00296 -0.00279 2.04237 R42 2.04613 -0.00129 0.00017 -0.00285 -0.00268 2.04345 R43 2.05025 -0.00064 0.00009 -0.00149 -0.00140 2.04886 A1 1.95317 0.00041 0.00081 0.00615 0.00696 1.96013 A2 1.98386 -0.00094 0.00006 -0.00835 -0.00833 1.97553 A3 1.90390 0.00068 -0.00077 0.00345 0.00259 1.90649 A4 1.87549 0.00040 0.00088 0.00710 0.00800 1.88350 A5 1.91713 -0.00010 -0.00049 0.00228 0.00180 1.91893 A6 1.82559 -0.00053 -0.00058 -0.01156 -0.01216 1.81343 A7 1.90620 -0.00010 0.00108 0.00341 0.00449 1.91068 A8 1.92561 0.00029 -0.00038 0.00054 0.00015 1.92577 A9 1.93612 -0.00050 -0.00070 -0.00569 -0.00639 1.92973 A10 1.88192 0.00004 0.00001 0.00125 0.00125 1.88317 A11 1.90249 0.00021 -0.00011 0.00006 -0.00005 1.90244 A12 1.91054 0.00008 0.00013 0.00064 0.00076 1.91130 A13 1.90636 -0.00038 0.00024 0.00159 0.00183 1.90819 A14 2.09972 -0.00333 0.00051 -0.00748 -0.00696 2.09275 A15 2.22387 -0.00270 0.00112 -0.00548 -0.00439 2.21948 A16 2.01302 0.00154 -0.00060 0.00431 0.00370 2.01671 A17 2.04601 0.00116 -0.00052 0.00093 0.00040 2.04641 A18 2.33728 -0.00002 -0.00030 -0.00193 -0.00223 2.33505 A19 2.03616 -0.00146 0.00057 -0.00226 -0.00169 2.03447 A20 1.90971 0.00148 -0.00027 0.00417 0.00389 1.91360 A21 1.84433 -0.00251 0.00028 -0.00609 -0.00579 1.83854 A22 1.97148 0.00165 0.00003 0.00499 0.00499 1.97647 A23 2.21986 0.00259 -0.00135 0.00731 0.00588 2.22574 A24 2.09183 -0.00423 0.00132 -0.01221 -0.01098 2.08086 A25 2.27058 -0.00075 -0.00094 -0.00788 -0.00886 2.26172 A26 2.15813 0.00043 0.00057 0.00509 0.00558 2.16370 A27 1.84601 0.00033 -0.00003 0.00182 0.00179 1.84780 A28 1.85300 -0.00094 -0.00001 -0.00478 -0.00479 1.84821 A29 2.20311 0.00123 -0.00007 0.00635 0.00627 2.20938 A30 2.22683 -0.00029 0.00008 -0.00147 -0.00140 2.22543 A31 1.95815 -0.00200 -0.00000 -0.00739 -0.00737 1.95077 A32 2.22865 0.00224 -0.00032 0.00465 0.00425 2.23290 A33 2.02522 -0.00060 -0.00110 -0.00583 -0.00705 2.01817 A34 2.02924 -0.00163 0.00141 0.00151 0.00280 2.03204 A35 2.09423 -0.00117 0.00033 -0.00222 -0.00186 2.09237 A36 2.03663 -0.00047 -0.00072 -0.00449 -0.00521 2.03142 A37 2.14076 0.00057 -0.00005 0.00176 0.00171 2.14247 A38 2.12727 0.00045 -0.00041 0.00207 0.00165 2.12892 A39 2.01515 -0.00102 0.00046 -0.00383 -0.00337 2.01179 A40 2.15667 0.00007 -0.00037 0.00013 -0.00025 2.15642 A41 2.11637 0.00145 -0.00012 0.00671 0.00657 2.12294 A42 2.01007 -0.00152 0.00049 -0.00693 -0.00645 2.00362 A43 2.08048 0.00002 -0.00002 -0.00035 -0.00059 2.07989 A44 2.10840 0.00035 0.00037 0.00285 0.00300 2.11140 A45 2.09019 -0.00038 -0.00065 -0.00518 -0.00604 2.08415 A46 1.90339 -0.00099 0.00005 -0.00640 -0.00634 1.89705 A47 1.92375 0.00112 -0.00033 0.00522 0.00488 1.92863 A48 1.93156 0.00110 -0.00013 0.00611 0.00597 1.93754 A49 1.91100 -0.00022 0.00008 -0.00172 -0.00164 1.90936 A50 1.90713 -0.00020 0.00020 -0.00096 -0.00075 1.90638 A51 1.88685 -0.00082 0.00013 -0.00227 -0.00216 1.88469 A52 1.91911 0.00020 0.00019 0.00205 0.00224 1.92135 A53 1.95205 0.00128 -0.00042 0.00599 0.00557 1.95762 A54 1.91963 -0.00007 -0.00033 -0.00227 -0.00259 1.91704 A55 1.89227 -0.00064 0.00017 -0.00217 -0.00202 1.89025 A56 1.88422 -0.00026 0.00038 -0.00112 -0.00074 1.88348 A57 1.89501 -0.00058 0.00004 -0.00276 -0.00272 1.89229 A58 2.08158 -0.00051 0.00007 -0.00197 -0.00205 2.07954 A59 2.08064 0.00027 -0.00030 -0.00058 -0.00103 2.07961 A60 2.11544 0.00021 -0.00004 -0.00013 -0.00032 2.11512 A61 1.91028 -0.00071 0.00015 -0.00490 -0.00475 1.90553 A62 1.94683 0.00155 -0.00008 0.00945 0.00937 1.95620 A63 1.93212 0.00072 -0.00039 0.00248 0.00207 1.93420 A64 1.88793 -0.00049 0.00026 -0.00206 -0.00179 1.88614 A65 1.88611 -0.00033 0.00017 -0.00296 -0.00279 1.88331 A66 1.89904 -0.00081 -0.00009 -0.00247 -0.00258 1.89646 A67 1.90670 -0.00063 0.00000 -0.00407 -0.00407 1.90263 A68 1.91907 0.00046 -0.00007 0.00196 0.00189 1.92096 A69 1.93639 0.00116 -0.00013 0.00622 0.00609 1.94247 A70 1.90351 -0.00007 0.00010 -0.00065 -0.00055 1.90296 A71 1.90740 -0.00026 0.00015 -0.00064 -0.00049 1.90691 A72 1.89043 -0.00067 -0.00005 -0.00289 -0.00295 1.88748 D1 1.15041 -0.00010 0.00076 -0.04463 -0.04385 1.10656 D2 -3.06716 0.00006 0.00121 -0.04071 -0.03949 -3.10665 D3 -0.94693 0.00002 0.00064 -0.04334 -0.04268 -0.98961 D4 -3.00419 0.00005 0.00258 -0.03675 -0.03418 -3.03837 D5 -0.93858 0.00021 0.00302 -0.03283 -0.02981 -0.96839 D6 1.18166 0.00017 0.00245 -0.03546 -0.03300 1.14865 D7 -0.97463 -0.00072 0.00137 -0.05391 -0.05256 -1.02718 D8 1.09099 -0.00056 0.00181 -0.04999 -0.04819 1.04280 D9 -3.07197 -0.00060 0.00125 -0.05262 -0.05138 -3.12335 D10 -1.09759 -0.00057 -0.00134 -0.01155 -0.01286 -1.11044 D11 2.99603 0.00005 -0.00256 -0.01018 -0.01277 2.98326 D12 1.01983 0.00051 -0.00210 -0.00149 -0.00360 1.01623 D13 -1.04829 -0.00005 -0.01649 -0.05653 -0.07297 -1.12126 D14 2.25332 -0.00019 -0.01217 -0.04764 -0.05977 2.19355 D15 1.12281 0.00014 -0.01476 -0.04899 -0.06375 1.05906 D16 -1.85877 0.00000 -0.01044 -0.04011 -0.05054 -1.90931 D17 -3.12324 -0.00004 -0.01520 -0.04878 -0.06403 3.09591 D18 0.17837 -0.00018 -0.01088 -0.03989 -0.05083 0.12754 D19 -0.32494 -0.00055 -0.00989 -0.07910 -0.08899 -0.41394 D20 2.84344 -0.00036 -0.01000 -0.06776 -0.07776 2.76567 D21 -0.02108 -0.00020 -0.00085 -0.01028 -0.01114 -0.03223 D22 3.13348 -0.00000 -0.00052 -0.00099 -0.00150 3.13198 D23 0.01143 0.00011 0.00026 0.00539 0.00563 0.01706 D24 -3.12064 0.00013 0.00037 0.00875 0.00910 -3.11155 D25 3.12580 -0.00008 0.00038 -0.00610 -0.00572 3.12008 D26 -0.00628 -0.00006 0.00049 -0.00274 -0.00226 -0.00853 D27 3.12868 -0.00029 0.00025 -0.00982 -0.00960 3.11907 D28 0.01101 -0.00006 0.00012 0.00042 0.00055 0.01156 D29 -3.13159 0.00000 0.00053 0.00215 0.00267 -3.12892 D30 0.00099 -0.00002 0.00042 -0.00106 -0.00064 0.00034 D31 3.12098 0.00005 -0.00062 0.00114 0.00052 3.12150 D32 0.00228 -0.00003 -0.00041 -0.00320 -0.00365 -0.00137 D33 -0.01335 0.00007 -0.00053 0.00373 0.00320 -0.01014 D34 -3.13204 -0.00002 -0.00033 -0.00061 -0.00097 -3.13301 D35 0.01227 -0.00004 -0.00015 -0.00211 -0.00225 0.01002 D36 -3.12495 -0.00058 0.00050 -0.02331 -0.02296 3.13528 D37 -3.02403 -0.00009 0.00352 0.01162 0.01509 -3.00894 D38 -0.02070 0.00006 -0.00017 0.00436 0.00419 -0.01651 D39 0.11354 0.00043 0.00291 0.03114 0.03395 0.14749 D40 3.11687 0.00057 -0.00077 0.02388 0.02305 3.13992 D41 0.00499 0.00094 0.00373 0.05421 0.05794 0.06293 D42 -3.13196 0.00035 0.00443 0.03167 0.03610 -3.09585 D43 3.03431 -0.00009 -0.00308 -0.01275 -0.01591 3.01840 D44 -0.13059 0.00003 -0.00329 -0.00819 -0.01156 -0.14215 D45 0.01972 -0.00010 0.00042 -0.00481 -0.00437 0.01534 D46 3.13800 0.00001 0.00021 -0.00025 -0.00002 3.13798 D47 -0.00258 0.00023 -0.00027 0.01049 0.01021 0.00762 D48 -3.11642 0.00012 -0.00002 0.00523 0.00516 -3.11127 D49 0.00790 -0.00036 0.00100 -0.01344 -0.01244 -0.00454 D50 3.13566 0.00042 -0.00130 0.01655 0.01521 -3.13232 D51 -0.01276 0.00029 -0.00096 0.00858 0.00764 -0.00511 D52 -3.14049 -0.00050 0.00134 -0.02142 -0.02012 3.12257 D53 -3.13249 0.00026 0.00087 0.01206 0.01293 -3.11957 D54 0.00821 0.00024 0.00131 0.01127 0.01258 0.02079 D55 -3.05037 0.00012 0.00320 0.01901 0.02220 -3.02817 D56 -0.02007 -0.00012 0.00002 -0.00789 -0.00786 -0.02793 D57 0.09206 0.00014 0.00280 0.01974 0.02253 0.11459 D58 3.12236 -0.00009 -0.00039 -0.00716 -0.00753 3.11482 D59 -0.03856 -0.00022 -0.00178 -0.01805 -0.01988 -0.05844 D60 -3.08256 0.00005 0.00273 0.01395 0.01675 -3.06581 D61 3.11498 -0.00004 -0.00147 -0.00953 -0.01106 3.10391 D62 0.07098 0.00022 0.00304 0.02246 0.02556 0.09654 D63 -3.09789 -0.00007 0.00105 -0.00164 -0.00063 -3.09853 D64 1.08690 0.00014 0.00113 0.00129 0.00238 1.08928 D65 -0.99945 -0.00026 0.00126 -0.00313 -0.00193 -1.00138 D66 -0.05286 -0.00029 -0.00338 -0.03284 -0.03617 -0.08903 D67 -2.15125 -0.00008 -0.00330 -0.02992 -0.03316 -2.18441 D68 2.04559 -0.00048 -0.00317 -0.03433 -0.03747 2.00812 D69 -2.50241 0.00056 0.00516 0.05699 0.06215 -2.44026 D70 1.67745 0.00039 0.00509 0.05440 0.05949 1.73694 D71 -0.42969 0.00032 0.00554 0.05547 0.06102 -0.36867 D72 0.73731 0.00080 0.00967 0.08889 0.09856 0.83587 D73 -1.36601 0.00063 0.00960 0.08630 0.09590 -1.27011 D74 2.81003 0.00056 0.01006 0.08738 0.09743 2.90746 D75 -3.04530 0.00040 0.00185 0.03192 0.03377 -3.01153 D76 1.14926 0.00049 0.00148 0.03173 0.03323 1.18249 D77 -0.96809 -0.00002 0.00192 0.02671 0.02862 -0.93946 D78 0.20987 0.00063 0.00512 0.05941 0.06451 0.27439 D79 -1.87876 0.00073 0.00474 0.05922 0.06397 -1.81478 D80 2.28709 0.00021 0.00518 0.05420 0.05937 2.34645 D81 3.02119 0.00011 0.00266 0.01852 0.02119 3.04238 D82 0.93279 0.00031 0.00258 0.02064 0.02322 0.95602 D83 -1.15806 0.00010 0.00277 0.01900 0.02177 -1.13629 D84 -0.23392 -0.00018 -0.00058 -0.00904 -0.00962 -0.24354 D85 -2.32232 0.00002 -0.00066 -0.00692 -0.00759 -2.32991 D86 1.87001 -0.00018 -0.00047 -0.00856 -0.00904 1.86097 Item Value Threshold Converged? Maximum Force 0.004233 0.000450 NO RMS Force 0.000994 0.000300 NO Maximum Displacement 0.344303 0.001800 NO RMS Displacement 0.080066 0.001200 NO Predicted change in Energy=-6.953236D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.976781 -4.916665 2.101357 2 6 0 7.156235 -5.249252 3.576258 3 8 0 6.930211 -6.063638 1.299777 4 7 0 2.968198 -0.845622 0.057986 5 6 0 4.201326 -1.401923 0.326198 6 6 0 4.457656 -2.608880 0.975248 7 7 0 3.650487 -3.597602 1.515729 8 6 0 4.463137 -4.474802 1.999952 9 7 0 5.787917 -4.138401 1.833748 10 6 0 5.789835 -2.941626 1.161570 11 7 0 6.831644 -2.236867 0.787917 12 6 0 6.473542 -1.109116 0.189666 13 7 0 5.257348 -0.671491 -0.047993 14 1 0 7.785291 -4.274707 1.780061 15 1 0 8.115068 -5.741192 3.722966 16 1 0 7.152775 -4.341772 4.170512 17 7 0 4.144100 -5.642952 2.648311 18 1 0 6.369061 -5.905319 3.915518 19 1 0 7.761171 -6.517815 1.352973 20 6 0 2.903412 -5.927069 2.726800 21 1 0 7.281234 -0.486359 -0.150703 22 6 0 1.936642 -1.591232 -0.014112 23 1 0 1.967285 -2.660535 0.095802 24 7 0 0.720125 -1.086211 -0.262010 25 6 0 0.561766 0.351727 -0.380318 26 6 0 -0.452176 -1.930378 -0.248786 27 1 0 -0.485714 0.573608 -0.535520 28 1 0 1.136785 0.728930 -1.216071 29 1 0 0.904011 0.855053 0.515319 30 1 0 -1.118402 -1.654729 -1.057769 31 1 0 -1.001676 -1.854960 0.687079 32 1 0 -0.162675 -2.963314 -0.393145 33 7 0 2.449976 -7.017522 3.349999 34 1 0 2.144722 -5.296802 2.291642 35 6 0 1.036799 -7.340804 3.271303 36 6 0 3.401712 -7.943684 3.937770 37 1 0 0.824837 -8.168239 3.932021 38 1 0 0.738703 -7.626914 2.266799 39 1 0 0.430654 -6.498771 3.586471 40 1 0 2.861595 -8.705928 4.481212 41 1 0 4.055543 -7.419676 4.621316 42 1 0 4.015057 -8.413551 3.177150 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522548 0.000000 3 O 1.400088 2.428308 0.000000 4 N 6.067743 7.022098 6.668379 0.000000 5 C 4.817442 5.839205 5.488738 1.379135 0.000000 6 C 3.597219 4.584664 4.260774 2.483734 1.394172 7 N 3.625896 4.389077 4.109082 3.188092 2.557227 8 C 2.554199 3.215166 3.016803 4.379158 3.508929 9 N 1.445927 2.478432 2.301411 4.684714 3.504039 10 C 2.488537 3.608726 3.326637 3.684124 2.364718 11 N 2.987893 4.117605 3.862110 4.170681 2.798015 12 C 4.290133 5.392198 5.097860 3.517700 2.295070 13 N 5.059412 6.139777 5.804325 2.298209 1.337435 14 H 1.081217 2.138171 2.040125 6.158616 4.817822 15 H 2.145964 1.087608 2.716561 7.993057 6.759043 16 H 2.154734 1.084744 3.354918 6.829834 5.668555 17 N 2.975018 3.176325 3.123769 5.577357 4.835474 18 H 2.153588 1.079427 2.679936 7.214358 6.153281 19 H 1.933657 2.630247 0.948474 7.538127 6.316575 20 C 4.243163 4.389478 4.274360 5.740024 5.284356 21 H 4.979165 6.049051 5.773487 4.333001 3.248311 22 C 6.398181 7.315465 6.831138 1.274849 2.297922 23 H 5.848711 6.763152 6.136879 2.072961 2.574514 24 N 7.707375 8.572440 8.110433 2.283443 3.544633 25 C 8.664126 9.513805 9.194385 2.723356 4.101323 26 C 8.344489 9.139683 8.601251 3.601356 4.718575 27 H 9.632500 10.450445 10.120142 3.781001 5.158839 28 H 8.774031 9.743657 9.275356 2.730660 4.038630 29 H 8.526827 9.258628 9.208623 2.713359 4.000249 30 H 9.281825 10.142209 9.475054 4.312755 5.502615 31 H 8.661985 9.296240 9.000177 4.144203 5.235141 32 H 7.810886 8.634125 7.923826 3.806639 4.690405 33 N 5.144382 5.032578 5.018546 7.014147 6.614042 34 H 4.850722 5.173756 4.946992 5.047805 4.823139 35 C 6.521396 6.474185 6.344318 7.499540 7.345623 36 C 5.031538 4.635417 4.789977 8.100812 7.515149 37 H 7.195170 6.980949 6.973782 8.557036 8.377688 38 H 6.803414 6.967975 6.458617 7.472311 7.382831 39 H 6.896405 6.840675 6.903806 7.130738 7.129179 40 H 6.079225 5.586723 5.801453 9.020017 8.509260 41 H 4.598792 3.926471 4.597301 8.076168 7.394771 42 H 4.707159 4.476502 4.188644 8.252191 7.571363 6 7 8 9 10 6 C 0.000000 7 N 1.386078 0.000000 8 C 2.128782 1.290098 0.000000 9 N 2.201375 2.227602 1.376892 0.000000 10 C 1.385690 2.265512 2.194001 1.372625 0.000000 11 N 2.410250 3.535685 3.476667 2.408104 1.312123 12 C 2.632532 3.990068 4.318183 3.514208 2.184066 13 N 2.332381 3.686374 4.392041 3.980191 2.626803 14 H 3.807342 4.198208 3.335431 2.002739 2.478201 15 H 5.544186 5.422118 4.231918 3.399075 4.450284 16 H 4.525074 4.457319 3.458784 2.713791 3.587722 17 N 3.478944 2.389530 1.373582 2.372618 3.495140 18 H 4.813020 4.298278 3.057502 2.791682 4.086956 19 H 5.131828 5.044984 3.933130 3.128336 4.088023 20 C 4.061280 2.729695 2.251695 3.509593 4.437821 21 H 3.707486 5.063512 5.336166 4.416499 3.158270 22 C 2.893088 3.050115 4.330659 4.973428 4.248870 23 H 2.641598 2.393210 3.625827 4.449918 3.978286 24 N 4.221193 4.249054 5.532555 6.276192 5.583109 25 C 5.077471 5.360260 6.646936 7.237126 6.368383 26 C 5.105397 4.767074 5.974213 6.939098 6.478768 27 H 6.070219 6.222119 7.510405 8.196030 7.390501 28 H 5.193364 5.700903 6.963206 7.390896 6.385689 29 H 4.983850 5.326358 6.578668 7.108121 6.221229 30 H 6.011321 5.756730 6.961037 7.888393 7.369213 31 H 5.518672 5.036474 6.200918 7.254483 6.894244 32 H 4.831726 4.311185 5.423065 6.461379 6.152234 33 N 5.395030 4.062219 3.512957 4.661566 5.705857 34 H 3.782523 2.399302 2.477057 3.850250 4.484502 35 C 6.274172 4.891315 4.644361 5.907204 6.811394 36 C 6.192874 4.981627 4.112773 4.959945 6.199274 37 H 7.269550 5.891815 5.532774 6.728633 7.722958 38 H 6.378039 5.027718 4.886555 6.152383 6.977635 39 H 6.177903 4.803340 4.782719 6.110945 6.874172 40 H 7.212017 5.959147 5.159846 6.036118 7.267860 41 H 6.049733 4.941355 3.963580 4.640950 5.918660 42 H 6.224024 5.107504 4.135252 4.819197 6.095437 11 12 13 14 15 11 N 0.000000 12 C 1.325882 0.000000 13 N 2.372246 1.314201 0.000000 14 H 2.458980 3.777698 4.766071 0.000000 15 H 4.747840 6.052681 6.934592 2.456464 0.000000 16 H 3.996961 5.172867 5.904184 2.473627 1.756326 17 N 4.720739 5.659232 5.764096 3.985501 4.114987 18 H 4.842872 6.074245 6.658699 3.037232 1.764244 19 H 4.416993 5.680255 6.512399 2.283533 2.518979 20 C 5.727815 6.511187 6.392307 5.240168 5.309261 21 H 2.036521 1.075195 2.034929 4.281764 6.581327 22 C 5.002114 4.566994 3.445891 6.680329 8.328318 23 H 4.931582 4.766767 3.847270 6.268290 7.774445 24 N 6.306902 5.771165 4.561161 8.015805 9.603857 25 C 6.883092 6.116212 4.817251 8.845928 10.536270 26 C 7.363608 6.988011 5.850110 8.801589 10.183064 27 H 7.949464 7.196437 5.896670 9.862940 11.488466 28 H 6.726316 5.816828 4.506065 8.843970 10.721613 29 H 6.691122 5.914701 4.647494 8.675599 10.285854 30 H 8.182216 7.713067 6.529670 9.705323 11.171910 31 H 7.843272 7.528784 6.412200 9.179355 10.365058 32 H 7.130436 6.914990 5.894763 8.343424 9.652979 33 N 6.972657 7.815756 7.726564 6.201074 5.819054 34 H 5.795828 6.379161 6.046142 5.755207 6.155583 35 C 8.111572 8.825451 8.562154 7.560879 7.270808 36 C 7.365716 8.378290 8.497910 6.110062 5.206999 37 H 9.008234 9.784902 9.575431 8.260656 7.686464 38 H 8.268230 8.926620 8.611290 7.818478 7.751589 39 H 8.183422 8.780840 8.394253 7.893051 7.722873 40 H 8.440999 9.443256 9.529192 7.153651 6.079767 41 H 7.018774 8.081423 8.293659 5.645757 4.483758 42 H 7.196737 8.265832 8.478462 5.770316 4.924379 16 17 18 19 20 16 H 0.000000 17 N 3.614179 0.000000 18 H 1.767458 2.573927 0.000000 19 H 3.611625 3.940366 2.979893 0.000000 20 C 4.759681 1.275222 3.663911 5.082736 0.000000 21 H 5.792548 6.653311 6.836033 6.234569 7.552925 22 C 7.230809 5.327083 7.328007 7.750180 5.219840 23 H 6.805816 4.488723 6.670418 7.073061 4.297526 24 N 8.463151 6.399802 8.519743 9.038076 6.093738 25 C 9.283340 7.611958 9.556647 10.100809 7.386527 26 C 9.120324 6.580436 8.925854 9.543023 6.007298 27 H 10.230065 8.379593 10.429582 11.039284 8.024196 28 H 9.535168 8.036061 9.885503 10.148782 7.935334 29 H 8.911480 7.567821 9.334385 10.103539 7.408471 30 H 10.147290 7.571980 9.942997 10.407117 6.982180 31 H 9.209430 6.683886 9.008661 9.948523 5.999354 32 H 8.731719 5.914324 8.359638 8.858371 5.283824 33 N 5.472586 2.291695 4.112910 5.696192 1.335316 34 H 5.433491 2.060229 4.566432 5.823784 1.078058 35 C 6.870803 3.595294 5.559554 7.040914 2.404032 36 C 5.205614 2.739929 3.600081 5.264898 2.404472 37 H 7.398752 4.363770 5.988280 7.582091 3.285707 38 H 7.453630 3.959594 6.114172 7.168000 2.790526 39 H 7.083831 3.924570 5.977050 7.663247 2.679628 40 H 6.128346 3.792910 4.523907 6.211244 3.286604 41 H 4.389711 2.656565 2.853733 5.022658 2.672914 42 H 5.235592 2.823568 3.518203 4.577641 2.760645 21 22 23 24 25 21 H 0.000000 22 C 5.459310 0.000000 23 H 5.746813 1.075374 0.000000 24 N 6.589412 1.340303 2.040082 0.000000 25 C 6.775423 2.408211 3.357961 1.451461 0.000000 26 C 7.867683 2.424158 2.550621 1.444674 2.500677 27 H 7.848381 3.290320 4.107975 2.069747 1.081912 28 H 6.353438 2.732696 3.728165 2.092504 1.082317 29 H 6.550720 2.707570 3.696743 2.099181 1.082883 30 H 8.528876 3.229015 3.444392 2.082456 2.703289 31 H 8.436915 3.032314 3.132617 2.111006 2.907431 32 H 7.848940 2.536415 2.206235 2.078473 3.393299 33 N 8.846019 6.405106 5.459498 7.156777 8.472688 34 H 7.449105 4.369331 3.435564 5.126373 6.446007 35 C 9.883648 6.682907 5.731886 7.190586 8.528484 36 C 9.347620 7.623480 6.688046 8.476674 9.773691 37 H 10.833512 7.750167 6.808565 8.231402 9.552764 38 H 9.981811 6.562551 5.557658 7.012562 8.408166 39 H 9.851193 6.270258 5.410920 6.647587 7.917192 40 H 10.418693 8.466545 7.521860 9.227359 10.533984 41 H 9.013775 7.742590 6.891336 8.665141 9.880159 42 H 9.196896 7.813322 6.839975 8.739240 10.070298 26 27 28 29 30 26 C 0.000000 27 H 2.520572 0.000000 28 H 3.245359 1.766289 0.000000 29 H 3.190882 1.764883 1.751514 0.000000 30 H 1.083647 2.374557 3.285233 3.586610 0.000000 31 H 1.087880 2.767473 3.856356 3.317426 1.760174 32 H 1.082408 3.554496 3.999808 4.067316 1.751438 33 N 6.874066 9.018913 9.087408 8.508987 7.805209 34 H 4.952825 7.026646 7.044816 6.522271 5.927160 35 C 6.624258 8.913353 9.234020 8.647841 7.464396 36 C 8.278863 10.376255 10.339546 9.765729 9.216170 37 H 7.617140 9.904360 10.283957 9.648830 8.432081 38 H 6.340102 8.752185 9.061400 8.662493 7.082978 39 H 6.029826 8.237056 8.706474 7.983406 6.887183 40 H 8.902924 11.067153 11.155741 10.534363 9.810204 41 H 8.612191 10.540805 10.440020 9.760252 9.605016 42 H 8.586312 10.714937 10.543708 10.132669 9.485178 31 32 33 34 35 31 H 0.000000 32 H 1.760471 0.000000 33 N 6.757003 6.105217 0.000000 34 H 4.931604 4.239968 2.043080 0.000000 35 C 6.397505 5.833467 1.451817 2.522929 0.000000 36 C 8.187147 7.501051 1.452258 3.360914 2.529912 37 H 7.329617 6.839114 2.074603 3.560630 1.079872 38 H 6.232165 5.443983 2.114979 2.721567 1.086163 39 H 5.658889 5.356197 2.098257 2.461573 1.084326 40 H 8.732472 8.116846 2.073593 4.114640 2.580179 41 H 8.486445 7.924477 2.087060 3.685812 3.307804 42 H 8.624568 7.739866 2.104341 3.741176 3.166965 36 37 38 39 40 36 C 0.000000 37 H 2.586647 0.000000 38 H 3.159764 1.753116 0.000000 39 H 3.322405 1.749831 1.763274 0.000000 40 H 1.080774 2.176948 3.251856 3.403172 0.000000 41 H 1.081348 3.387172 4.072852 3.880566 1.760564 42 H 1.084209 3.287478 3.490277 4.084344 1.765372 41 42 41 H 0.000000 42 H 1.753580 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.519933 -2.250007 0.151207 2 6 0 3.523739 -2.059835 -0.977669 3 8 0 3.053567 -1.909110 1.399914 4 7 0 -3.251923 -0.405066 -0.164033 5 6 0 -2.194392 -1.286540 -0.082511 6 6 0 -0.836004 -0.973125 -0.066159 7 7 0 -0.125599 0.216483 -0.103189 8 6 0 1.117534 -0.127367 -0.075981 9 7 0 1.303349 -1.491042 -0.034817 10 6 0 0.045790 -2.040821 -0.015164 11 7 0 -0.268994 -3.314123 0.020632 12 6 0 -1.581905 -3.497078 -0.006830 13 7 0 -2.524215 -2.582435 -0.057885 14 1 0 2.185703 -3.278219 0.161179 15 1 0 4.365426 -2.732989 -0.831667 16 1 0 3.067363 -2.298912 -1.932254 17 7 0 2.214811 0.698498 -0.101685 18 1 0 3.885865 -1.043125 -0.995792 19 1 0 3.771774 -2.493803 1.604646 20 6 0 1.981234 1.952062 -0.087232 21 1 0 -1.909774 -4.520436 0.029010 22 6 0 -3.102014 0.803974 0.211454 23 1 0 -2.187334 1.188535 0.626066 24 7 0 -4.102829 1.692386 0.137242 25 6 0 -5.366301 1.287166 -0.451125 26 6 0 -3.891972 3.080152 0.478896 27 1 0 -6.031878 2.140020 -0.464629 28 1 0 -5.815288 0.489908 0.126976 29 1 0 -5.225998 0.928248 -1.463117 30 1 0 -4.743731 3.461346 1.029793 31 1 0 -3.748476 3.702403 -0.401840 32 1 0 -3.017854 3.174292 1.110294 33 7 0 2.951481 2.868329 -0.133533 34 1 0 0.978765 2.345501 -0.037519 35 6 0 2.609157 4.269659 0.030361 36 6 0 4.336043 2.431466 -0.168057 37 1 0 3.483086 4.873431 -0.164147 38 1 0 2.264042 4.490742 1.036227 39 1 0 1.838016 4.562893 -0.673285 40 1 0 4.973862 3.293240 -0.304457 41 1 0 4.488430 1.746263 -0.990607 42 1 0 4.611853 1.924103 0.749560 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3225169 0.1987049 0.1271103 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1829.5592404286 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.64D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999999 0.001468 -0.000378 0.000389 Ang= 0.18 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37576207 A.U. after 13 cycles NFock= 13 Conv=0.76D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002120265 0.001589568 0.000841265 2 6 -0.000255711 -0.000522568 -0.000545953 3 8 0.000017258 0.000048128 0.000091350 4 7 -0.001953354 -0.001593221 0.000803485 5 6 0.003397596 0.003323882 -0.001823802 6 6 -0.001199265 -0.001574235 0.001023538 7 7 -0.000363540 0.001133049 -0.000120015 8 6 -0.001098025 0.000024387 0.000323627 9 7 0.000178401 -0.002278341 -0.000782433 10 6 -0.002027294 -0.001823261 0.000902113 11 7 0.000985490 0.004829521 -0.001956844 12 6 0.000771581 -0.005523871 0.000495782 13 7 -0.001937663 0.000415335 0.000042622 14 1 0.000173188 -0.000430218 0.000030551 15 1 -0.000437087 0.000030379 -0.000225858 16 1 0.000024881 -0.000198447 -0.000369118 17 7 0.000652634 0.000418254 0.000516196 18 1 0.000042878 0.000011398 0.000331872 19 1 -0.000944109 0.001074686 0.000359096 20 6 0.000517892 -0.000930246 -0.000060119 21 1 -0.000735977 0.001121005 0.000362881 22 6 0.003573704 0.002459574 -0.000964871 23 1 -0.000055180 -0.001754768 0.000170995 24 7 -0.000365949 -0.000132942 0.000011340 25 6 -0.000252266 -0.000184010 0.000535278 26 6 0.000046233 0.000186395 0.000015649 27 1 0.000188196 0.000115299 -0.000225837 28 1 0.000042939 -0.000071010 0.000265083 29 1 -0.000248583 0.000012920 0.000082095 30 1 0.000135629 -0.000339211 -0.000134627 31 1 0.000049008 0.000382222 -0.000277353 32 1 -0.000087580 0.000166780 0.000503834 33 7 -0.000302392 0.000881515 0.001048909 34 1 -0.000793281 0.000333350 -0.000272567 35 6 0.000100199 -0.000530868 -0.000235775 36 6 -0.000074787 -0.000756160 -0.000600038 37 1 -0.000234538 0.000425509 0.000353504 38 1 0.000117592 -0.000480110 0.000140604 39 1 0.000345012 0.000005248 -0.000475678 40 1 0.000169796 0.000094492 -0.000074081 41 1 -0.000141279 -0.000009553 -0.000137460 42 1 -0.000142513 0.000050146 0.000030761 ------------------------------------------------------------------- Cartesian Forces: Max 0.005523871 RMS 0.001136834 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002958699 RMS 0.000668618 Search for a local minimum. Step number 7 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 6 7 DE= -7.96D-04 DEPred=-6.95D-04 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 3.56D-01 DXNew= 2.0394D+00 1.0675D+00 Trust test= 1.14D+00 RLast= 3.56D-01 DXMaxT set to 1.21D+00 ITU= 1 1 1 1 0 1 0 Eigenvalues --- 0.00221 0.00347 0.01016 0.01156 0.01196 Eigenvalues --- 0.01204 0.01213 0.01262 0.01469 0.01534 Eigenvalues --- 0.01558 0.01791 0.02079 0.02129 0.02193 Eigenvalues --- 0.02296 0.02323 0.02327 0.02595 0.02597 Eigenvalues --- 0.02623 0.02702 0.02777 0.02888 0.02932 Eigenvalues --- 0.03294 0.03466 0.05275 0.05498 0.05682 Eigenvalues --- 0.05803 0.07341 0.07398 0.07566 0.07615 Eigenvalues --- 0.07666 0.07700 0.07769 0.07786 0.08407 Eigenvalues --- 0.15754 0.15881 0.15957 0.15999 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16003 0.16009 0.16190 0.17182 0.18436 Eigenvalues --- 0.20772 0.22064 0.22134 0.23536 0.23757 Eigenvalues --- 0.24525 0.24759 0.24799 0.24823 0.24851 Eigenvalues --- 0.24933 0.24974 0.24995 0.26307 0.27269 Eigenvalues --- 0.27581 0.32776 0.32921 0.33175 0.33308 Eigenvalues --- 0.33371 0.33490 0.33528 0.33578 0.33600 Eigenvalues --- 0.33622 0.33651 0.33659 0.33688 0.33748 Eigenvalues --- 0.33792 0.34115 0.35649 0.35964 0.37304 Eigenvalues --- 0.37697 0.39072 0.39429 0.39867 0.39984 Eigenvalues --- 0.40156 0.40449 0.41007 0.42028 0.42228 Eigenvalues --- 0.47141 0.47278 0.48594 0.50014 0.51122 Eigenvalues --- 0.53657 0.54684 0.59272 0.60079 0.65777 Eigenvalues --- 0.67802 0.71137 0.74890 0.77813 0.87776 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 7 6 RFO step: Lambda=-9.55301767D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.26480 -1.26480 Iteration 1 RMS(Cart)= 0.10831241 RMS(Int)= 0.00467425 Iteration 2 RMS(Cart)= 0.00738124 RMS(Int)= 0.00012942 Iteration 3 RMS(Cart)= 0.00002733 RMS(Int)= 0.00012848 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00012848 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87720 -0.00071 -0.00321 -0.00042 -0.00363 2.87357 R2 2.64578 -0.00115 0.00056 -0.00296 -0.00240 2.64338 R3 2.73241 -0.00016 -0.00452 0.00325 -0.00127 2.73114 R4 2.04320 -0.00014 -0.00405 0.00214 -0.00191 2.04129 R5 2.05528 -0.00043 -0.00344 0.00052 -0.00292 2.05236 R6 2.04987 -0.00037 -0.00249 0.00020 -0.00229 2.04758 R7 2.03982 0.00007 -0.00088 0.00068 -0.00020 2.03962 R8 1.79236 -0.00132 -0.00162 -0.00057 -0.00218 1.79017 R9 2.60619 -0.00142 -0.00294 -0.00047 -0.00341 2.60278 R10 2.40912 -0.00294 0.00053 -0.00442 -0.00390 2.40522 R11 2.63460 0.00132 -0.01157 0.00705 -0.00457 2.63003 R12 2.52739 -0.00269 0.01397 -0.00797 0.00600 2.53339 R13 2.61931 0.00009 0.00331 -0.00138 0.00191 2.62122 R14 2.61857 -0.00061 0.01478 -0.00628 0.00840 2.62698 R15 2.43793 0.00100 0.00085 0.00054 0.00140 2.43934 R16 2.60195 0.00097 0.00303 0.00261 0.00567 2.60762 R17 2.59569 0.00048 -0.00329 0.00202 -0.00127 2.59442 R18 2.59388 0.00006 -0.00308 0.00134 -0.00174 2.59214 R19 2.47955 0.00272 -0.00705 0.00808 0.00102 2.48057 R20 2.50555 -0.00296 0.01270 -0.00777 0.00499 2.51054 R21 2.48348 -0.00006 -0.00383 0.00150 -0.00226 2.48122 R22 2.03182 -0.00002 0.00132 -0.00055 0.00077 2.03259 R23 2.40982 0.00061 -0.00024 0.00080 0.00055 2.41037 R24 2.52338 0.00034 0.00021 0.00070 0.00091 2.52429 R25 2.03723 0.00086 0.00428 -0.00003 0.00425 2.04149 R26 2.03216 0.00176 0.00502 0.00144 0.00645 2.03862 R27 2.53281 0.00035 -0.00033 0.00112 0.00079 2.53360 R28 2.74286 -0.00015 0.00185 -0.00162 0.00023 2.74309 R29 2.73004 -0.00035 0.00115 -0.00208 -0.00094 2.72910 R30 2.04452 -0.00013 -0.00378 0.00179 -0.00199 2.04253 R31 2.04528 -0.00021 -0.00258 0.00068 -0.00191 2.04338 R32 2.04635 -0.00000 -0.00206 0.00140 -0.00066 2.04569 R33 2.04780 -0.00007 -0.00290 0.00186 -0.00103 2.04676 R34 2.05579 -0.00024 -0.00133 0.00004 -0.00129 2.05451 R35 2.04546 -0.00025 -0.00390 0.00111 -0.00279 2.04266 R36 2.74354 -0.00018 0.00253 -0.00222 0.00031 2.74385 R37 2.74437 -0.00004 0.00255 -0.00165 0.00090 2.74527 R38 2.04066 -0.00006 -0.00537 0.00290 -0.00247 2.03819 R39 2.05255 -0.00004 -0.00097 0.00077 -0.00021 2.05234 R40 2.04908 -0.00033 -0.00257 0.00023 -0.00234 2.04674 R41 2.04237 -0.00019 -0.00353 0.00140 -0.00212 2.04024 R42 2.04345 -0.00018 -0.00339 0.00134 -0.00205 2.04140 R43 2.04886 -0.00012 -0.00176 0.00066 -0.00110 2.04776 A1 1.96013 -0.00003 0.00881 -0.00738 0.00142 1.96156 A2 1.97553 0.00037 -0.01054 0.00617 -0.00442 1.97111 A3 1.90649 0.00001 0.00328 0.00157 0.00472 1.91121 A4 1.88350 -0.00081 0.01012 -0.01147 -0.00131 1.88219 A5 1.91893 0.00006 0.00228 -0.00279 -0.00052 1.91840 A6 1.81343 0.00043 -0.01538 0.01535 -0.00005 1.81338 A7 1.91068 -0.00025 0.00568 -0.00302 0.00266 1.91334 A8 1.92577 -0.00033 0.00019 -0.00355 -0.00337 1.92240 A9 1.92973 0.00055 -0.00809 0.00712 -0.00096 1.92876 A10 1.88317 0.00022 0.00158 0.00032 0.00190 1.88506 A11 1.90244 -0.00013 -0.00006 -0.00091 -0.00096 1.90148 A12 1.91130 -0.00007 0.00096 -0.00012 0.00083 1.91213 A13 1.90819 -0.00117 0.00231 -0.00819 -0.00588 1.90231 A14 2.09275 -0.00227 -0.00881 -0.00410 -0.01291 2.07984 A15 2.21948 -0.00245 -0.00555 -0.00803 -0.01360 2.20588 A16 2.01671 0.00079 0.00468 0.00214 0.00680 2.02351 A17 2.04641 0.00166 0.00050 0.00625 0.00673 2.05314 A18 2.33505 0.00059 -0.00282 0.00301 0.00023 2.33528 A19 2.03447 -0.00104 -0.00213 -0.00096 -0.00316 2.03131 A20 1.91360 0.00045 0.00492 -0.00208 0.00285 1.91645 A21 1.83854 -0.00033 -0.00732 0.00375 -0.00356 1.83498 A22 1.97647 -0.00019 0.00632 -0.00361 0.00266 1.97913 A23 2.22574 0.00133 0.00744 -0.00051 0.00680 2.23254 A24 2.08086 -0.00114 -0.01388 0.00432 -0.00968 2.07118 A25 2.26172 0.00074 -0.01120 0.00812 -0.00312 2.25861 A26 2.16370 -0.00046 0.00705 -0.00523 0.00174 2.16545 A27 1.84780 -0.00026 0.00226 -0.00183 0.00044 1.84824 A28 1.84821 0.00033 -0.00605 0.00365 -0.00240 1.84581 A29 2.20938 -0.00104 0.00793 -0.00756 0.00035 2.20973 A30 2.22543 0.00071 -0.00177 0.00380 0.00203 2.22746 A31 1.95077 0.00028 -0.00933 0.00665 -0.00253 1.94824 A32 2.23290 0.00115 0.00537 0.00058 0.00543 2.23833 A33 2.01817 0.00055 -0.00892 0.00901 -0.00068 2.01749 A34 2.03204 -0.00169 0.00355 -0.00850 -0.00571 2.02633 A35 2.09237 -0.00100 -0.00236 -0.00483 -0.00701 2.08536 A36 2.03142 0.00160 -0.00659 0.00789 0.00130 2.03272 A37 2.14247 -0.00004 0.00217 -0.00118 0.00098 2.14345 A38 2.12892 0.00029 0.00209 0.00028 0.00236 2.13129 A39 2.01179 -0.00025 -0.00426 0.00090 -0.00337 2.00842 A40 2.15642 0.00015 -0.00032 0.00054 0.00021 2.15663 A41 2.12294 -0.00008 0.00831 -0.00392 0.00437 2.12731 A42 2.00362 -0.00007 -0.00816 0.00357 -0.00461 1.99901 A43 2.07989 0.00004 -0.00074 0.00034 -0.00088 2.07901 A44 2.11140 0.00037 0.00379 0.00087 0.00414 2.11554 A45 2.08415 -0.00042 -0.00764 -0.00063 -0.00872 2.07543 A46 1.89705 0.00023 -0.00802 0.00563 -0.00238 1.89467 A47 1.92863 -0.00009 0.00617 -0.00440 0.00176 1.93039 A48 1.93754 0.00003 0.00755 -0.00346 0.00409 1.94162 A49 1.90936 -0.00009 -0.00207 0.00034 -0.00172 1.90764 A50 1.90638 -0.00010 -0.00095 0.00035 -0.00058 1.90579 A51 1.88469 0.00001 -0.00274 0.00153 -0.00124 1.88345 A52 1.92135 0.00024 0.00284 0.00153 0.00436 1.92571 A53 1.95762 -0.00036 0.00704 -0.00769 -0.00065 1.95696 A54 1.91704 0.00012 -0.00328 0.00175 -0.00153 1.91551 A55 1.89025 0.00003 -0.00255 0.00161 -0.00096 1.88929 A56 1.88348 -0.00005 -0.00094 0.00204 0.00111 1.88459 A57 1.89229 0.00002 -0.00344 0.00108 -0.00236 1.88994 A58 2.07954 0.00029 -0.00259 0.00229 -0.00076 2.07877 A59 2.07961 0.00021 -0.00130 0.00068 -0.00109 2.07852 A60 2.11512 -0.00053 -0.00041 -0.00369 -0.00456 2.11056 A61 1.90553 0.00026 -0.00601 0.00506 -0.00095 1.90458 A62 1.95620 0.00005 0.01185 -0.00493 0.00691 1.96310 A63 1.93420 -0.00037 0.00262 -0.00564 -0.00304 1.93116 A64 1.88614 -0.00004 -0.00226 0.00229 0.00003 1.88617 A65 1.88331 -0.00002 -0.00353 0.00152 -0.00202 1.88129 A66 1.89646 0.00013 -0.00326 0.00210 -0.00119 1.89528 A67 1.90263 0.00017 -0.00514 0.00370 -0.00144 1.90119 A68 1.92096 -0.00013 0.00239 -0.00243 -0.00005 1.92091 A69 1.94247 -0.00011 0.00770 -0.00497 0.00272 1.94520 A70 1.90296 0.00001 -0.00069 0.00097 0.00028 1.90324 A71 1.90691 -0.00003 -0.00061 0.00054 -0.00007 1.90684 A72 1.88748 0.00009 -0.00373 0.00228 -0.00147 1.88601 D1 1.10656 0.00026 -0.05546 0.00455 -0.05090 1.05566 D2 -3.10665 0.00018 -0.04994 0.00094 -0.04898 3.12756 D3 -0.98961 0.00024 -0.05398 0.00315 -0.05080 -1.04041 D4 -3.03837 -0.00056 -0.04323 -0.01165 -0.05489 -3.09325 D5 -0.96839 -0.00064 -0.03770 -0.01526 -0.05297 -1.02136 D6 1.14865 -0.00059 -0.04174 -0.01305 -0.05479 1.09387 D7 -1.02718 0.00020 -0.06647 0.01195 -0.05455 -1.08173 D8 1.04280 0.00012 -0.06095 0.00834 -0.05263 0.99017 D9 -3.12335 0.00018 -0.06499 0.01055 -0.05445 3.10539 D10 -1.11044 -0.00004 -0.01626 0.00361 -0.01261 -1.12305 D11 2.98326 0.00010 -0.01615 0.00920 -0.00697 2.97629 D12 1.01623 -0.00001 -0.00456 -0.00139 -0.00596 1.01027 D13 -1.12126 0.00049 -0.09230 0.04321 -0.04904 -1.17030 D14 2.19355 0.00040 -0.07560 0.03430 -0.04124 2.15231 D15 1.05906 0.00010 -0.08063 0.02939 -0.05123 1.00784 D16 -1.90931 0.00001 -0.06393 0.02048 -0.04343 -1.95274 D17 3.09591 0.00002 -0.08099 0.02864 -0.05242 3.04349 D18 0.12754 -0.00007 -0.06429 0.01973 -0.04462 0.08292 D19 -0.41394 -0.00038 -0.11256 -0.01298 -0.12553 -0.53947 D20 2.76567 -0.00046 -0.09836 -0.02488 -0.12325 2.64242 D21 -0.03223 -0.00012 -0.01409 -0.00018 -0.01428 -0.04651 D22 3.13198 -0.00024 -0.00190 -0.01056 -0.01245 3.11953 D23 0.01706 -0.00003 0.00712 -0.00334 0.00376 0.02082 D24 -3.11155 0.00006 0.01151 -0.00030 0.01116 -3.10039 D25 3.12008 0.00003 -0.00724 0.00866 0.00144 3.12151 D26 -0.00853 0.00011 -0.00285 0.01169 0.00883 0.00030 D27 3.11907 0.00011 -0.01215 0.01338 0.00114 3.12021 D28 0.01156 0.00013 0.00069 0.00303 0.00368 0.01524 D29 -3.12892 0.00008 0.00338 0.00445 0.00780 -3.12112 D30 0.00034 -0.00001 -0.00082 0.00157 0.00072 0.00107 D31 3.12150 -0.00010 0.00066 -0.00731 -0.00663 3.11486 D32 -0.00137 -0.00007 -0.00462 -0.00142 -0.00606 -0.00742 D33 -0.01014 -0.00004 0.00405 -0.00502 -0.00095 -0.01110 D34 -3.13301 -0.00000 -0.00123 0.00088 -0.00037 -3.13338 D35 0.01002 0.00004 -0.00285 0.00261 -0.00022 0.00979 D36 3.13528 0.00004 -0.02903 0.01697 -0.01232 3.12297 D37 -3.00894 -0.00010 0.01908 -0.01292 0.00612 -3.00282 D38 -0.01651 -0.00006 0.00530 -0.00572 -0.00040 -0.01691 D39 0.14749 -0.00012 0.04294 -0.02593 0.01684 0.16433 D40 3.13992 -0.00009 0.02916 -0.01873 0.01031 -3.13295 D41 0.06293 0.00070 0.07328 0.01539 0.08866 0.15158 D42 -3.09585 0.00071 0.04566 0.03044 0.07612 -3.01974 D43 3.01840 0.00022 -0.02013 0.01438 -0.00585 3.01255 D44 -0.14215 0.00016 -0.01462 0.00825 -0.00646 -0.14861 D45 0.01534 0.00006 -0.00553 0.00628 0.00075 0.01609 D46 3.13798 -0.00000 -0.00002 0.00015 0.00014 3.13812 D47 0.00762 -0.00022 0.01291 -0.02210 -0.00915 -0.00153 D48 -3.11127 -0.00018 0.00652 -0.01491 -0.00840 -3.11966 D49 -0.00454 0.00051 -0.01573 0.04017 0.02450 0.01996 D50 -3.13232 -0.00075 0.01924 -0.05951 -0.04039 3.11048 D51 -0.00511 -0.00049 0.00967 -0.03241 -0.02273 -0.02784 D52 3.12257 0.00080 -0.02545 0.06807 0.04248 -3.11814 D53 -3.11957 0.00034 0.01635 0.00747 0.02383 -3.09574 D54 0.02079 0.00017 0.01591 0.00146 0.01736 0.03815 D55 -3.02817 0.00005 0.02808 -0.00143 0.02667 -3.00150 D56 -0.02793 -0.00020 -0.00994 -0.00746 -0.01741 -0.04534 D57 0.11459 0.00020 0.02849 0.00421 0.03271 0.14730 D58 3.11482 -0.00005 -0.00953 -0.00182 -0.01137 3.10346 D59 -0.05844 -0.00001 -0.02514 0.00594 -0.01935 -0.07779 D60 -3.06581 0.00010 0.02118 0.00094 0.02228 -3.04354 D61 3.10391 -0.00013 -0.01399 -0.00357 -0.01772 3.08620 D62 0.09654 -0.00001 0.03233 -0.00856 0.02391 0.12045 D63 -3.09853 -0.00021 -0.00080 -0.01696 -0.01788 -3.11641 D64 1.08928 -0.00019 0.00301 -0.01825 -0.01534 1.07394 D65 -1.00138 -0.00017 -0.00245 -0.01503 -0.01762 -1.01900 D66 -0.08903 -0.00027 -0.04575 -0.01192 -0.05755 -0.14658 D67 -2.18441 -0.00025 -0.04194 -0.01321 -0.05501 -2.23942 D68 2.00812 -0.00023 -0.04739 -0.01000 -0.05729 1.95083 D69 -2.44026 0.00028 0.07861 0.01410 0.09272 -2.34754 D70 1.73694 0.00031 0.07524 0.01612 0.09136 1.82830 D71 -0.36867 0.00044 0.07718 0.01863 0.09581 -0.27286 D72 0.83587 0.00036 0.12466 0.00902 0.13368 0.96955 D73 -1.27011 0.00039 0.12129 0.01104 0.13231 -1.13780 D74 2.90746 0.00052 0.12323 0.01354 0.13676 3.04422 D75 -3.01153 0.00047 0.04271 0.03005 0.07278 -2.93875 D76 1.18249 0.00032 0.04203 0.02694 0.06900 1.25149 D77 -0.93946 0.00039 0.03620 0.03167 0.06788 -0.87158 D78 0.27439 0.00066 0.08160 0.03583 0.11740 0.39179 D79 -1.81478 0.00052 0.08092 0.03271 0.11362 -1.70116 D80 2.34645 0.00058 0.07509 0.03745 0.11250 2.45896 D81 3.04238 0.00008 0.02680 -0.00033 0.02646 3.06885 D82 0.95602 0.00005 0.02937 -0.00233 0.02703 0.98305 D83 -1.13629 0.00009 0.02754 -0.00037 0.02715 -1.10914 D84 -0.24354 -0.00010 -0.01217 -0.00598 -0.01812 -0.26166 D85 -2.32991 -0.00014 -0.00960 -0.00797 -0.01755 -2.34746 D86 1.86097 -0.00010 -0.01143 -0.00601 -0.01744 1.84353 Item Value Threshold Converged? Maximum Force 0.002959 0.000450 NO RMS Force 0.000669 0.000300 NO Maximum Displacement 0.488608 0.001800 NO RMS Displacement 0.109605 0.001200 NO Predicted change in Energy=-5.698281D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.951507 -4.944472 2.071450 2 6 0 7.179055 -5.219830 3.549526 3 8 0 6.834649 -6.119982 1.322311 4 7 0 2.977550 -0.818757 0.100841 5 6 0 4.210439 -1.387420 0.332456 6 6 0 4.453968 -2.596749 0.976808 7 7 0 3.636934 -3.568549 1.535451 8 6 0 4.445070 -4.455384 2.011594 9 7 0 5.775545 -4.142024 1.822541 10 6 0 5.788025 -2.950432 1.143187 11 7 0 6.834938 -2.264238 0.747980 12 6 0 6.480702 -1.138150 0.138548 13 7 0 5.270821 -0.672598 -0.069863 14 1 0 7.762301 -4.342644 1.687705 15 1 0 8.098993 -5.782542 3.678366 16 1 0 7.278206 -4.287096 4.091942 17 7 0 4.129417 -5.609892 2.684170 18 1 0 6.359130 -5.790239 3.958539 19 1 0 7.656318 -6.590214 1.356274 20 6 0 2.895097 -5.929857 2.716027 21 1 0 7.291660 -0.510411 -0.185813 22 6 0 1.968631 -1.574827 -0.073595 23 1 0 2.026540 -2.651900 -0.092211 24 7 0 0.739555 -1.079757 -0.278076 25 6 0 0.534888 0.355441 -0.204526 26 6 0 -0.413126 -1.946417 -0.354757 27 1 0 -0.513059 0.562357 -0.369601 28 1 0 1.122250 0.862637 -0.957510 29 1 0 0.826343 0.744201 0.762842 30 1 0 -1.038209 -1.667959 -1.194304 31 1 0 -1.017389 -1.904961 0.548098 32 1 0 -0.092724 -2.968246 -0.501788 33 7 0 2.441063 -6.997956 3.377365 34 1 0 2.137651 -5.347455 2.211894 35 6 0 1.051871 -7.389210 3.218262 36 6 0 3.390381 -7.870191 4.047015 37 1 0 0.805209 -8.128102 3.964249 38 1 0 0.850397 -7.817230 2.240654 39 1 0 0.396567 -6.539409 3.364859 40 1 0 2.846705 -8.631452 4.586035 41 1 0 3.987007 -7.301733 4.745483 42 1 0 4.061124 -8.343349 3.339575 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520628 0.000000 3 O 1.398817 2.426803 0.000000 4 N 6.057818 6.993962 6.668747 0.000000 5 C 4.815618 5.818040 5.501221 1.377329 0.000000 6 C 3.598298 4.574444 4.266168 2.471514 1.391751 7 N 3.628616 4.396572 4.096416 3.170843 2.556057 8 C 2.554412 3.228667 2.992672 4.362298 3.505276 9 N 1.445256 2.472647 2.298749 4.673021 3.501108 10 C 2.488284 3.588259 3.342686 3.678218 2.364121 11 N 2.991457 4.086881 3.898284 4.169850 2.798119 12 C 4.294864 5.364940 5.132760 3.517883 2.292124 13 N 5.065455 6.117079 5.835897 2.304256 1.340613 14 H 1.080206 2.139160 2.037887 6.150590 4.815161 15 H 2.145056 1.086062 2.695075 7.979162 6.755225 16 H 2.149712 1.083531 3.350682 6.815710 5.652703 17 N 2.963512 3.193944 3.071340 5.563754 4.833879 18 H 2.151124 1.079321 2.698990 7.143706 6.095093 19 H 1.927875 2.629845 0.947319 7.535031 6.323872 20 C 4.223852 4.421669 4.183140 5.741894 5.295779 21 H 4.987167 6.011993 5.826713 4.334604 3.245254 22 C 6.386296 7.318577 6.803317 1.272787 2.285979 23 H 5.847445 6.812116 6.094782 2.074151 2.559036 24 N 7.684051 8.559083 8.069404 2.284803 3.537576 25 C 8.627986 9.451006 9.162386 2.727378 4.103119 26 C 8.313401 9.143297 8.530032 3.602204 4.707663 27 H 9.591854 10.390470 10.074971 3.783272 5.158096 28 H 8.767973 9.695085 9.305163 2.718333 4.032825 29 H 8.461152 9.148346 9.139462 2.740215 4.022580 30 H 9.232348 10.131295 9.388064 4.304053 5.473390 31 H 8.663864 9.336949 8.945407 4.164063 5.257807 32 H 7.755527 8.623314 7.826191 3.796057 4.659633 33 N 5.125067 5.063589 4.929268 7.014693 6.624218 34 H 4.832735 5.217404 4.842514 5.066664 4.848775 35 C 6.488268 6.508327 6.216598 7.523125 7.370611 36 C 5.014410 4.650372 4.727602 8.091072 7.516433 37 H 7.176013 7.018258 6.882334 8.548188 8.379875 38 H 6.745733 6.965023 6.287708 7.621168 7.501570 39 H 6.869059 6.912129 6.767335 7.073977 7.091127 40 H 6.063526 5.610951 5.732632 9.009566 8.510505 41 H 4.636312 3.994221 4.606919 8.038699 7.382671 42 H 4.638407 4.418364 4.087194 8.263354 7.579578 6 7 8 9 10 6 C 0.000000 7 N 1.387091 0.000000 8 C 2.127295 1.290841 0.000000 9 N 2.202205 2.232701 1.379892 0.000000 10 C 1.390137 2.272252 2.196028 1.371703 0.000000 11 N 2.414942 3.542396 3.479843 2.408957 1.312661 12 C 2.633978 3.993143 4.319276 3.515159 2.184827 13 N 2.337761 3.692310 4.395884 3.984075 2.632018 14 H 3.807702 4.200126 3.334912 2.001407 2.476393 15 H 5.543817 5.422529 4.229732 3.396144 4.448433 16 H 4.531849 4.506752 3.518925 2.725659 3.564052 17 N 3.478426 2.393569 1.372910 2.367863 3.492611 18 H 4.766418 4.268209 3.039088 2.760375 4.039414 19 H 5.132914 5.031701 3.911402 3.122234 4.096820 20 C 4.069960 2.742236 2.252269 3.505945 4.440702 21 H 3.709042 5.066752 5.338022 4.418224 3.159250 22 C 2.885233 3.057318 4.333401 4.967739 4.237996 23 H 2.652970 2.466353 3.678020 4.465622 3.970402 24 N 4.203910 4.228212 5.510743 6.257098 5.568344 25 C 5.046797 5.296028 6.583673 7.197269 6.351423 26 C 5.087691 4.754702 5.957902 6.918162 6.458030 27 H 6.038553 6.157602 7.445190 8.153726 7.371016 28 H 5.177768 5.672204 6.938159 7.377566 6.381370 29 H 4.936334 5.205398 6.456799 7.035110 6.197844 30 H 5.978326 5.737662 6.936416 7.851726 7.328442 31 H 5.531556 5.040349 6.203623 7.264476 6.910919 32 H 4.795483 4.291976 5.396317 6.420034 6.106509 33 N 5.402322 4.072295 3.513694 4.657531 5.707552 34 H 3.802256 2.422794 2.481953 3.852134 4.495896 35 C 6.290156 4.910382 4.645124 5.899606 6.814678 36 C 6.194077 4.987271 4.112933 4.953435 6.195558 37 H 7.268708 5.891286 5.527233 6.721605 7.719786 38 H 6.468111 5.129658 4.927083 6.159468 7.019282 39 H 6.140836 4.761588 4.750249 6.087660 6.847218 40 H 7.213006 5.963514 5.159657 6.030751 7.264884 41 H 6.046308 4.935941 3.973119 4.661139 5.929083 42 H 6.225786 5.121867 4.126405 4.784534 6.073702 11 12 13 14 15 11 N 0.000000 12 C 1.328521 0.000000 13 N 2.376688 1.313006 0.000000 14 H 2.462287 3.783011 4.771347 0.000000 15 H 4.750101 6.059667 6.939691 2.479798 0.000000 16 H 3.933258 5.116756 5.866414 2.453118 1.755305 17 N 4.718270 5.657314 5.767527 3.974507 4.095823 18 H 4.792364 6.020718 6.603233 3.036627 1.762294 19 H 4.445082 5.708760 6.537786 2.274346 2.498081 20 C 5.729949 6.516166 6.406561 5.221721 5.294179 21 H 2.038743 1.075602 2.030650 4.291571 6.586276 22 C 4.983093 4.538113 3.423228 6.658048 8.328470 23 H 4.896621 4.710015 3.800460 6.239044 7.803388 24 N 6.293607 5.756540 4.554284 7.989349 9.588063 25 C 6.889167 6.140132 4.848099 8.825420 10.486533 26 C 7.338356 6.958556 5.831898 8.760774 10.170453 27 H 7.951836 7.215444 5.921844 9.837334 11.437274 28 H 6.732076 5.823873 4.511708 8.842081 10.692273 29 H 6.719684 5.992059 4.738577 8.650947 10.197554 30 H 8.131080 7.654490 6.485289 9.638926 11.142763 31 H 7.863083 7.548318 6.437561 9.182808 10.389545 32 H 7.074606 6.853408 5.850143 8.269478 9.617597 33 N 6.973369 7.819587 7.739578 6.182330 5.794826 34 H 5.806357 6.393677 6.072682 5.737692 6.154465 35 C 8.112428 8.833606 8.586279 7.526888 7.242582 36 C 7.360388 8.375356 8.502358 6.092915 5.163836 37 H 9.004827 9.782977 9.581247 8.240963 7.666985 38 H 8.299309 8.984948 8.713461 7.755831 7.664797 39 H 8.159520 8.752107 8.365115 7.867189 7.745870 40 H 8.436710 9.441168 9.533996 7.138436 6.043730 41 H 7.033285 8.089012 8.293441 5.688502 4.511663 42 H 7.167007 8.247171 8.481041 5.695000 4.793422 16 17 18 19 20 16 H 0.000000 17 N 3.694115 0.000000 18 H 1.766900 2.574521 0.000000 19 H 3.595998 3.894018 3.015699 0.000000 20 C 4.878878 1.275515 3.682777 4.995421 0.000000 21 H 5.706375 6.651412 6.776566 6.282914 7.557833 22 C 7.273217 5.343782 7.300978 7.716762 5.254201 23 H 6.910933 4.569474 6.710371 7.021597 4.402908 24 N 8.493411 6.386563 8.468599 8.993212 6.093808 25 C 9.245817 7.539920 9.435162 10.069409 7.321557 26 C 9.187410 6.579576 8.901850 9.466172 6.020121 27 H 10.204233 8.305105 10.310929 10.994392 7.955218 28 H 9.482221 8.012398 9.790465 10.178047 7.923121 29 H 8.833086 7.414600 9.139098 10.039640 7.255187 30 H 10.196423 7.568735 9.912901 10.311588 6.994667 31 H 9.330075 6.691706 9.007748 9.891307 6.017247 32 H 8.784778 5.912283 8.335740 8.753211 5.296466 33 N 5.590826 2.292985 4.140965 5.608026 1.335795 34 H 5.575325 2.063747 4.589958 5.721209 1.080309 35 C 7.010968 3.594790 5.592111 6.908264 2.404045 36 C 5.287322 2.740890 3.625948 5.203523 2.404523 37 H 7.527903 4.362378 6.025916 7.490282 3.279934 38 H 7.563455 3.977565 6.116041 6.971963 2.822934 39 H 7.277260 3.906598 6.038697 7.532661 2.652393 40 H 6.225412 3.793714 4.561071 6.142507 3.286013 41 H 4.510781 2.670509 2.920764 5.045478 2.681977 42 H 5.231526 2.811763 3.490318 4.464570 2.751976 21 22 23 24 25 21 H 0.000000 22 C 5.429568 0.000000 23 H 5.684736 1.078789 0.000000 24 N 6.577442 1.340722 2.040223 0.000000 25 C 6.812050 2.408048 3.358830 1.451582 0.000000 26 C 7.839285 2.426911 2.553157 1.444179 2.493962 27 H 7.880245 3.288459 4.105845 2.067355 1.080860 28 H 6.367291 2.727434 3.730745 2.093080 1.081309 29 H 6.653896 2.717047 3.702039 2.101872 1.082535 30 H 8.470165 3.210257 3.402269 2.084682 2.747443 31 H 8.457168 3.067867 3.198972 2.109592 2.843488 32 H 7.789089 2.524708 2.181538 2.075843 3.395461 33 N 8.849450 6.445358 5.576557 7.161177 8.398564 34 H 7.463900 4.414154 3.547853 5.134965 6.397731 35 C 9.891439 6.744170 5.861000 7.220188 8.483064 36 C 9.343617 7.657180 6.798810 8.476042 9.689709 37 H 10.831725 7.784803 6.923533 8.226834 9.456335 38 H 10.038287 6.750837 5.788455 7.193736 8.536451 39 H 9.823360 6.240307 5.451686 6.572398 7.765218 40 H 10.415347 8.501712 7.636340 9.226470 10.443094 41 H 9.020004 7.752084 6.990541 8.631053 9.749463 42 H 9.177126 7.863915 6.950488 8.768124 10.033142 26 27 28 29 30 26 C 0.000000 27 H 2.510807 0.000000 28 H 3.257526 1.763531 0.000000 29 H 3.166186 1.763375 1.749629 0.000000 30 H 1.083101 2.435206 3.335802 3.622912 0.000000 31 H 1.087198 2.680333 3.808480 3.234737 1.758570 32 H 1.080931 3.557993 4.044689 4.028180 1.750505 33 N 6.898780 8.940074 9.073000 8.329709 7.836731 34 H 4.966006 6.972537 7.045666 6.397465 5.935231 35 C 6.673581 8.862799 9.248514 8.498961 7.521429 36 C 8.302612 10.288402 10.317557 9.569109 9.249407 37 H 7.638808 9.800213 10.254639 9.432244 8.470084 38 H 6.542102 8.882001 9.254310 8.688073 7.292414 39 H 5.965461 8.075191 8.602313 7.746366 6.824631 40 H 8.929032 10.971439 11.128448 10.324802 9.848609 41 H 8.605407 10.404740 10.362814 9.517788 9.605898 42 H 8.636420 10.676739 10.576016 9.984335 9.545685 31 32 33 34 35 31 H 0.000000 32 H 1.757226 0.000000 33 N 6.775266 6.140559 0.000000 34 H 4.957142 4.242555 2.043167 0.000000 35 C 6.441164 5.890144 1.451980 2.521995 0.000000 36 C 8.200904 7.540072 1.452732 3.361726 2.527212 37 H 7.329354 6.883014 2.073085 3.546568 1.078564 38 H 6.427153 5.650054 2.119798 2.785254 1.086053 39 H 5.604598 5.286168 2.095324 2.404466 1.083086 40 H 8.745389 8.160764 2.072134 4.113871 2.575926 41 H 8.472731 7.934555 2.086617 3.695727 3.309845 42 H 8.662360 7.803990 2.106208 3.734541 3.159225 36 37 38 39 40 36 C 0.000000 37 H 2.599323 0.000000 38 H 3.117253 1.751989 0.000000 39 H 3.346526 1.746483 1.761427 0.000000 40 H 1.079650 2.192642 3.185752 3.445444 0.000000 41 H 1.080261 3.378912 4.047003 3.921545 1.758938 42 H 1.083626 3.322278 3.434123 4.084583 1.763938 41 42 41 H 0.000000 42 H 1.751295 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.501371 -2.246145 0.186533 2 6 0 3.481649 -2.126287 -0.969753 3 8 0 3.056637 -1.829972 1.401098 4 7 0 -3.251290 -0.390567 -0.214559 5 6 0 -2.208305 -1.282405 -0.096897 6 6 0 -0.852491 -0.968967 -0.074560 7 7 0 -0.140915 0.220273 -0.132776 8 6 0 1.101448 -0.128068 -0.094509 9 7 0 1.285681 -1.493860 -0.025432 10 6 0 0.028406 -2.041673 0.001615 11 7 0 -0.290379 -3.313599 0.062087 12 6 0 -1.607053 -3.489742 0.044490 13 7 0 -2.547961 -2.578170 -0.043331 14 1 0 2.162883 -3.268717 0.267873 15 1 0 4.350713 -2.748531 -0.777214 16 1 0 3.019976 -2.470491 -1.887588 17 7 0 2.207271 0.683996 -0.145405 18 1 0 3.802878 -1.102759 -1.088647 19 1 0 3.770144 -2.410046 1.628773 20 6 0 1.994632 1.939373 -0.069563 21 1 0 -1.939268 -4.512614 0.061344 22 6 0 -3.120208 0.783256 0.259724 23 1 0 -2.243798 1.116586 0.793187 24 7 0 -4.090477 1.702412 0.153581 25 6 0 -5.286088 1.383034 -0.605105 26 6 0 -3.882787 3.063564 0.589222 27 1 0 -5.936899 2.245986 -0.600881 28 1 0 -5.803862 0.542758 -0.163433 29 1 0 -5.044179 1.124713 -1.628155 30 1 0 -4.731404 3.407183 1.167913 31 1 0 -3.742807 3.744259 -0.246875 32 1 0 -3.006112 3.115665 1.219410 33 7 0 2.972009 2.845664 -0.157408 34 1 0 1.003107 2.346849 0.064263 35 6 0 2.669145 4.239547 0.113904 36 6 0 4.345774 2.392295 -0.290295 37 1 0 3.502596 4.849303 -0.197317 38 1 0 2.489243 4.427754 1.168288 39 1 0 1.798869 4.557464 -0.447009 40 1 0 4.986927 3.251056 -0.421043 41 1 0 4.441277 1.746698 -1.151137 42 1 0 4.666076 1.836921 0.583325 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3230508 0.1988575 0.1277011 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.5487959494 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.76D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999993 0.000953 -0.000165 0.003499 Ang= 0.42 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37634466 A.U. after 14 cycles NFock= 14 Conv=0.51D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000987708 0.001575724 0.000347102 2 6 -0.000840167 -0.000680347 -0.000380386 3 8 -0.000122485 -0.000152142 -0.000352037 4 7 -0.002557649 -0.001802735 0.000333736 5 6 0.005315098 0.003794190 -0.003859787 6 6 0.002427525 -0.001883752 0.000864300 7 7 0.001896805 0.000163389 0.000818851 8 6 0.000871631 0.001021940 0.000731293 9 7 -0.002035701 -0.000738178 -0.001654201 10 6 -0.004381434 -0.001700116 0.000424956 11 7 -0.001634752 0.004552714 -0.004335760 12 6 0.003059411 -0.001305846 0.007404156 13 7 -0.004123878 -0.003057994 0.000547274 14 1 0.001086080 -0.000033079 0.000200768 15 1 0.000629345 -0.000251780 -0.000003240 16 1 -0.000039148 0.000447949 0.000330729 17 7 -0.002022777 0.000004131 0.000093211 18 1 0.000004904 -0.000252481 0.000442000 19 1 -0.000007050 -0.000058652 0.000046687 20 6 -0.000144242 0.000820092 0.000001972 21 1 -0.000464389 -0.000884615 -0.002186984 22 6 0.001818495 0.000435084 -0.000099549 23 1 0.000414416 0.000556152 0.000017149 24 7 -0.001151876 0.000939975 0.001182098 25 6 -0.000038307 -0.000643058 -0.000352040 26 6 0.000515857 0.000195652 -0.000266168 27 1 -0.000655271 0.000437753 -0.000368108 28 1 0.000465401 -0.000210736 -0.000263294 29 1 -0.000073949 -0.000205577 0.000820808 30 1 -0.000522024 0.000127944 -0.000733810 31 1 0.000422110 0.000536873 0.000316042 32 1 0.000140009 -0.000727443 0.000119939 33 7 -0.000492151 0.000517627 0.000013000 34 1 0.000734717 -0.000242472 0.000200963 35 6 0.000851135 -0.000626768 -0.000074068 36 6 -0.000519579 -0.000357123 -0.001077737 37 1 -0.000605437 -0.000337821 0.001245967 38 1 0.000596902 -0.000588095 -0.000275787 39 1 0.000373032 0.000658000 -0.000467159 40 1 -0.000258140 -0.000524942 0.000447608 41 1 0.000224046 0.000592736 0.000375411 42 1 -0.000144221 -0.000112176 -0.000575905 ------------------------------------------------------------------- Cartesian Forces: Max 0.007404156 RMS 0.001511197 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004766591 RMS 0.000797353 Search for a local minimum. Step number 8 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 DE= -5.83D-04 DEPred=-5.70D-04 R= 1.02D+00 TightC=F SS= 1.41D+00 RLast= 4.94D-01 DXNew= 2.0394D+00 1.4807D+00 Trust test= 1.02D+00 RLast= 4.94D-01 DXMaxT set to 1.48D+00 ITU= 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00165 0.00268 0.00933 0.01150 0.01193 Eigenvalues --- 0.01205 0.01213 0.01258 0.01491 0.01534 Eigenvalues --- 0.01573 0.01815 0.02121 0.02143 0.02200 Eigenvalues --- 0.02320 0.02327 0.02439 0.02595 0.02597 Eigenvalues --- 0.02684 0.02720 0.02805 0.02933 0.03280 Eigenvalues --- 0.03464 0.04756 0.05361 0.05513 0.05680 Eigenvalues --- 0.05803 0.07342 0.07361 0.07551 0.07589 Eigenvalues --- 0.07639 0.07712 0.07773 0.07792 0.08409 Eigenvalues --- 0.15597 0.15867 0.15945 0.15999 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16002 Eigenvalues --- 0.16009 0.16037 0.16241 0.17183 0.18367 Eigenvalues --- 0.20707 0.22097 0.22123 0.23138 0.23551 Eigenvalues --- 0.24456 0.24605 0.24665 0.24723 0.24800 Eigenvalues --- 0.24928 0.24969 0.25046 0.26006 0.27273 Eigenvalues --- 0.27685 0.32777 0.32866 0.33171 0.33310 Eigenvalues --- 0.33380 0.33495 0.33526 0.33586 0.33598 Eigenvalues --- 0.33622 0.33650 0.33678 0.33688 0.33748 Eigenvalues --- 0.33792 0.34726 0.35722 0.35954 0.37300 Eigenvalues --- 0.37657 0.39069 0.39342 0.39770 0.39984 Eigenvalues --- 0.40250 0.40532 0.41167 0.42004 0.42452 Eigenvalues --- 0.47180 0.47868 0.48478 0.50221 0.51539 Eigenvalues --- 0.54259 0.55539 0.59282 0.60052 0.65278 Eigenvalues --- 0.68992 0.71269 0.74490 0.76488 0.87873 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 6 RFO step: Lambda=-1.12630018D-03. DidBck=F Rises=F RFO-DIIS coefs: 1.36744 0.48989 -0.85733 Iteration 1 RMS(Cart)= 0.10806197 RMS(Int)= 0.00532253 Iteration 2 RMS(Cart)= 0.00818391 RMS(Int)= 0.00016892 Iteration 3 RMS(Cart)= 0.00004068 RMS(Int)= 0.00016666 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00016666 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87357 0.00047 -0.00351 0.00163 -0.00188 2.87169 R2 2.64338 0.00035 -0.00050 -0.00059 -0.00110 2.64228 R3 2.73114 0.00116 -0.00353 0.00459 0.00105 2.73219 R4 2.04129 0.00073 -0.00345 0.00296 -0.00049 2.04081 R5 2.05236 0.00066 -0.00340 0.00202 -0.00139 2.05097 R6 2.04758 0.00055 -0.00253 0.00156 -0.00097 2.04661 R7 2.03962 0.00030 -0.00067 0.00025 -0.00042 2.03920 R8 1.79017 0.00002 -0.00190 -0.00092 -0.00281 1.78736 R9 2.60278 0.00083 -0.00325 0.00180 -0.00145 2.60133 R10 2.40522 -0.00197 -0.00108 -0.00460 -0.00567 2.39954 R11 2.63003 0.00128 -0.00952 0.00914 -0.00040 2.62963 R12 2.53339 -0.00477 0.01168 -0.01283 -0.00114 2.53225 R13 2.62122 -0.00091 0.00295 -0.00291 0.00001 2.62124 R14 2.62698 -0.00373 0.01310 -0.01053 0.00251 2.62949 R15 2.43934 -0.00119 0.00109 -0.00054 0.00056 2.43990 R16 2.60762 -0.00035 0.00413 0.00194 0.00610 2.61372 R17 2.59442 0.00044 -0.00270 0.00213 -0.00057 2.59386 R18 2.59214 -0.00004 -0.00273 0.00058 -0.00214 2.59000 R19 2.48057 0.00145 -0.00441 0.00817 0.00375 2.48432 R20 2.51054 -0.00462 0.01044 -0.01245 -0.00199 2.50855 R21 2.48122 0.00051 -0.00342 0.00316 -0.00024 2.48099 R22 2.03259 -0.00021 0.00118 -0.00119 -0.00001 2.03258 R23 2.41037 -0.00055 0.00004 0.00020 0.00024 2.41061 R24 2.52429 0.00042 0.00047 0.00089 0.00136 2.52565 R25 2.04149 -0.00074 0.00447 -0.00186 0.00260 2.04409 R26 2.03862 -0.00053 0.00577 -0.00084 0.00493 2.04355 R27 2.53360 0.00092 0.00007 0.00200 0.00207 2.53566 R28 2.74309 -0.00058 0.00134 -0.00215 -0.00081 2.74228 R29 2.72910 -0.00049 0.00043 -0.00190 -0.00146 2.72764 R30 2.04253 0.00078 -0.00329 0.00286 -0.00044 2.04209 R31 2.04338 0.00034 -0.00245 0.00135 -0.00110 2.04227 R32 2.04569 0.00064 -0.00164 0.00233 0.00070 2.04639 R33 2.04676 0.00090 -0.00234 0.00306 0.00072 2.04748 R34 2.05451 0.00005 -0.00137 0.00027 -0.00110 2.05340 R35 2.04266 0.00071 -0.00367 0.00244 -0.00123 2.04143 R36 2.74385 -0.00097 0.00183 -0.00301 -0.00119 2.74266 R37 2.74527 -0.00060 0.00206 -0.00215 -0.00010 2.74517 R38 2.03819 0.00123 -0.00455 0.00453 -0.00002 2.03817 R39 2.05234 0.00037 -0.00074 0.00132 0.00058 2.05293 R40 2.04674 0.00023 -0.00260 0.00083 -0.00178 2.04496 R41 2.04024 0.00072 -0.00317 0.00249 -0.00068 2.03956 R42 2.04140 0.00068 -0.00305 0.00236 -0.00070 2.04070 R43 2.04776 0.00034 -0.00160 0.00131 -0.00029 2.04746 A1 1.96156 -0.00016 0.00649 -0.00618 0.00031 1.96187 A2 1.97111 0.00034 -0.00877 0.00913 0.00034 1.97145 A3 1.91121 -0.00024 0.00396 -0.00179 0.00206 1.91327 A4 1.88219 -0.00036 0.00638 -0.00957 -0.00315 1.87904 A5 1.91840 0.00005 0.00135 -0.00357 -0.00225 1.91616 A6 1.81338 0.00041 -0.01045 0.01315 0.00269 1.81607 A7 1.91334 -0.00025 0.00483 -0.00392 0.00091 1.91425 A8 1.92240 -0.00001 -0.00111 -0.00162 -0.00274 1.91967 A9 1.92876 0.00061 -0.00584 0.00751 0.00167 1.93043 A10 1.88506 0.00003 0.00177 -0.00055 0.00122 1.88628 A11 1.90148 -0.00016 -0.00039 -0.00103 -0.00141 1.90007 A12 1.91213 -0.00023 0.00096 -0.00058 0.00036 1.91249 A13 1.90231 0.00003 -0.00059 -0.00533 -0.00593 1.89639 A14 2.07984 0.00051 -0.01071 0.00134 -0.00937 2.07047 A15 2.20588 -0.00137 -0.00876 -0.00726 -0.01607 2.18980 A16 2.02351 0.00097 0.00567 0.00239 0.00799 2.03150 A17 2.05314 0.00039 0.00281 0.00467 0.00744 2.06057 A18 2.33528 0.00019 -0.00183 0.00287 0.00105 2.33634 A19 2.03131 -0.00000 -0.00261 0.00023 -0.00241 2.02890 A20 1.91645 -0.00018 0.00438 -0.00308 0.00129 1.91774 A21 1.83498 0.00077 -0.00627 0.00490 -0.00134 1.83364 A22 1.97913 -0.00086 0.00526 -0.00442 0.00079 1.97992 A23 2.23254 -0.00088 0.00754 -0.00529 0.00209 2.23463 A24 2.07118 0.00174 -0.01297 0.01016 -0.00295 2.06823 A25 2.25861 0.00123 -0.00874 0.01223 0.00344 2.26205 A26 2.16545 -0.00064 0.00542 -0.00701 -0.00169 2.16376 A27 1.84824 -0.00055 0.00169 -0.00307 -0.00136 1.84687 A28 1.84581 0.00082 -0.00498 0.00564 0.00067 1.84648 A29 2.20973 -0.00134 0.00551 -0.00867 -0.00318 2.20655 A30 2.22746 0.00051 -0.00045 0.00299 0.00254 2.23000 A31 1.94824 0.00114 -0.00725 0.00773 0.00054 1.94878 A32 2.23833 -0.00025 0.00564 -0.00006 0.00535 2.24369 A33 2.01749 0.00067 -0.00629 0.01002 0.00340 2.02089 A34 2.02633 -0.00027 0.00031 -0.00771 -0.00773 2.01860 A35 2.08536 0.00008 -0.00417 -0.00357 -0.00764 2.07771 A36 2.03272 0.00082 -0.00399 0.00765 0.00366 2.03638 A37 2.14345 -0.00041 0.00183 -0.00160 0.00023 2.14368 A38 2.13129 -0.00010 0.00229 -0.00094 0.00135 2.13264 A39 2.00842 0.00051 -0.00412 0.00254 -0.00158 2.00684 A40 2.15663 -0.00041 -0.00014 -0.00108 -0.00124 2.15539 A41 2.12731 -0.00009 0.00724 -0.00373 0.00348 2.13080 A42 1.99901 0.00049 -0.00723 0.00483 -0.00242 1.99659 A43 2.07901 -0.00011 -0.00083 0.00039 -0.00120 2.07781 A44 2.11554 0.00014 0.00409 0.00060 0.00386 2.11940 A45 2.07543 -0.00001 -0.00838 0.00134 -0.00774 2.06769 A46 1.89467 0.00060 -0.00631 0.00665 0.00035 1.89502 A47 1.93039 -0.00061 0.00483 -0.00534 -0.00052 1.92986 A48 1.94162 -0.00056 0.00662 -0.00488 0.00173 1.94335 A49 1.90764 0.00004 -0.00204 0.00062 -0.00141 1.90623 A50 1.90579 0.00004 -0.00086 0.00058 -0.00027 1.90553 A51 1.88345 0.00049 -0.00231 0.00241 0.00005 1.88351 A52 1.92571 0.00033 0.00352 0.00234 0.00585 1.93156 A53 1.95696 -0.00121 0.00453 -0.01049 -0.00597 1.95099 A54 1.91551 0.00031 -0.00278 0.00305 0.00026 1.91578 A55 1.88929 0.00035 -0.00208 0.00197 -0.00013 1.88916 A56 1.88459 -0.00001 -0.00023 0.00240 0.00216 1.88675 A57 1.88994 0.00027 -0.00320 0.00114 -0.00206 1.88787 A58 2.07877 0.00096 -0.00203 0.00385 0.00088 2.07966 A59 2.07852 0.00004 -0.00129 0.00056 -0.00165 2.07687 A60 2.11056 -0.00102 -0.00195 -0.00534 -0.00818 2.10238 A61 1.90458 0.00052 -0.00442 0.00608 0.00165 1.90623 A62 1.96310 -0.00071 0.01057 -0.00672 0.00383 1.96694 A63 1.93116 -0.00081 0.00066 -0.00700 -0.00636 1.92480 A64 1.88617 0.00027 -0.00152 0.00324 0.00171 1.88788 A65 1.88129 0.00020 -0.00314 0.00224 -0.00092 1.88037 A66 1.89528 0.00059 -0.00265 0.00273 0.00005 1.89533 A67 1.90119 0.00034 -0.00402 0.00391 -0.00010 1.90109 A68 1.92091 -0.00032 0.00160 -0.00256 -0.00097 1.91994 A69 1.94520 -0.00063 0.00622 -0.00593 0.00029 1.94548 A70 1.90324 0.00006 -0.00037 0.00104 0.00068 1.90392 A71 1.90684 0.00010 -0.00044 0.00044 0.00000 1.90685 A72 1.88601 0.00045 -0.00307 0.00321 0.00013 1.88614 D1 1.05566 0.00016 -0.05630 0.02375 -0.03252 1.02314 D2 3.12756 0.00003 -0.05185 0.01969 -0.03214 3.09542 D3 -1.04041 0.00013 -0.05525 0.02281 -0.03241 -1.07281 D4 -3.09325 -0.00018 -0.04947 0.01328 -0.03619 -3.12944 D5 -1.02136 -0.00031 -0.04502 0.00922 -0.03580 -1.05716 D6 1.09387 -0.00021 -0.04842 0.01234 -0.03607 1.05780 D7 -1.08173 0.00038 -0.06510 0.03380 -0.03133 -1.11306 D8 0.99017 0.00025 -0.06065 0.02974 -0.03095 0.95922 D9 3.10539 0.00035 -0.06406 0.03286 -0.03122 3.07417 D10 -1.12305 0.00019 -0.01566 0.00937 -0.00626 -1.12931 D11 2.97629 0.00012 -0.01351 0.00891 -0.00462 2.97167 D12 1.01027 -0.00020 -0.00528 0.00028 -0.00501 1.00526 D13 -1.17030 0.00062 -0.08058 0.06213 -0.01841 -1.18871 D14 2.15231 0.00040 -0.06640 0.04488 -0.02146 2.13085 D15 1.00784 0.00038 -0.07348 0.05338 -0.02010 0.98774 D16 -1.95274 0.00016 -0.05929 0.03613 -0.02314 -1.97588 D17 3.04349 0.00048 -0.07416 0.05149 -0.02273 3.02076 D18 0.08292 0.00026 -0.05997 0.03424 -0.02578 0.05714 D19 -0.53947 -0.00023 -0.12242 -0.00494 -0.12734 -0.66681 D20 2.64242 0.00016 -0.11196 0.00077 -0.11121 2.53121 D21 -0.04651 -0.00000 -0.01480 0.00052 -0.01430 -0.06081 D22 3.11953 0.00023 -0.00586 -0.00047 -0.00631 3.11322 D23 0.02082 0.00005 0.00621 -0.00148 0.00464 0.02546 D24 -3.10039 0.00001 0.01190 -0.00269 0.00910 -3.09129 D25 3.12151 -0.00033 -0.00438 -0.00733 -0.01174 3.10977 D26 0.00030 -0.00037 0.00131 -0.00854 -0.00728 -0.00698 D27 3.12021 -0.00064 -0.00781 -0.00580 -0.01386 3.10636 D28 0.01524 -0.00025 0.00182 -0.00032 0.00161 0.01684 D29 -3.12112 -0.00019 0.00515 -0.00278 0.00237 -3.11875 D30 0.00107 -0.00016 -0.00029 -0.00162 -0.00192 -0.00085 D31 3.11486 0.00021 -0.00199 0.00129 -0.00070 3.11417 D32 -0.00742 0.00017 -0.00536 0.00338 -0.00204 -0.00947 D33 -0.01110 0.00017 0.00240 0.00031 0.00272 -0.00838 D34 -3.13338 0.00014 -0.00097 0.00240 0.00137 -3.13202 D35 0.00979 0.00007 -0.00201 0.00233 0.00033 0.01012 D36 3.12297 0.00030 -0.02421 0.02205 -0.00249 3.12047 D37 -3.00282 -0.00009 0.01519 -0.01630 -0.00114 -3.00396 D38 -0.01691 0.00005 0.00345 -0.00211 0.00135 -0.01556 D39 0.16433 -0.00026 0.03529 -0.03378 0.00130 0.16563 D40 -3.13295 -0.00011 0.02355 -0.01960 0.00380 -3.12915 D41 0.15158 0.00054 0.08225 0.01592 0.09816 0.24974 D42 -3.01974 0.00074 0.05892 0.03633 0.09527 -2.92447 D43 3.01255 0.00022 -0.01579 0.01641 0.00047 3.01302 D44 -0.14861 0.00023 -0.01228 0.01412 0.00176 -0.14685 D45 0.01609 -0.00012 -0.00347 0.00104 -0.00242 0.01367 D46 3.13812 -0.00012 0.00003 -0.00125 -0.00114 3.13698 D47 -0.00153 0.00060 0.00539 0.01012 0.01555 0.01402 D48 -3.11966 0.00057 0.00134 0.01268 0.01395 -3.10571 D49 0.01996 -0.00137 -0.00166 -0.02109 -0.02279 -0.00283 D50 3.11048 0.00207 -0.00180 0.03454 0.03291 -3.13980 D51 -0.02784 0.00125 -0.00180 0.01708 0.01519 -0.01264 D52 -3.11814 -0.00223 -0.00165 -0.03923 -0.04071 3.12434 D53 -3.09574 0.00004 0.01984 0.00143 0.02127 -3.07447 D54 0.03815 0.00019 0.01716 0.00343 0.02058 0.05873 D55 -3.00150 0.00033 0.02883 0.00493 0.03384 -2.96766 D56 -0.04534 0.00004 -0.01314 -0.00125 -0.01446 -0.05980 D57 0.14730 0.00019 0.03133 0.00307 0.03448 0.18178 D58 3.10346 -0.00009 -0.01064 -0.00311 -0.01382 3.08964 D59 -0.07779 -0.00009 -0.02415 0.00538 -0.01900 -0.09679 D60 -3.04354 -0.00024 0.02254 -0.01015 0.01264 -3.03089 D61 3.08620 0.00014 -0.01600 0.00454 -0.01170 3.07449 D62 0.12045 -0.00002 0.03070 -0.01099 0.01995 0.14039 D63 -3.11641 -0.00036 -0.00711 -0.02736 -0.03467 3.13211 D64 1.07394 -0.00042 -0.00360 -0.02907 -0.03284 1.04109 D65 -1.01900 -0.00027 -0.00813 -0.02535 -0.03370 -1.05270 D66 -0.14658 -0.00019 -0.05216 -0.01226 -0.06421 -0.21079 D67 -2.23942 -0.00026 -0.04864 -0.01397 -0.06239 -2.30181 D68 1.95083 -0.00010 -0.05318 -0.01025 -0.06325 1.88758 D69 -2.34754 0.00001 0.08735 0.00819 0.09556 -2.25198 D70 1.82830 0.00015 0.08457 0.01113 0.09570 1.92400 D71 -0.27286 0.00039 0.08752 0.01448 0.10201 -0.17085 D72 0.96955 -0.00013 0.13362 -0.00721 0.12640 1.09594 D73 -1.13780 0.00001 0.13083 -0.00428 0.12654 -1.01126 D74 3.04422 0.00025 0.13378 -0.00093 0.13284 -3.10612 D75 -2.93875 0.00057 0.05570 0.04349 0.09923 -2.83952 D76 1.25149 0.00033 0.05384 0.03959 0.09348 1.34497 D77 -0.87158 0.00065 0.04948 0.04579 0.09532 -0.77626 D78 0.39179 0.00074 0.09845 0.04912 0.14752 0.53930 D79 -1.70116 0.00050 0.09659 0.04521 0.14177 -1.55940 D80 2.45896 0.00082 0.09223 0.05142 0.14361 2.60256 D81 3.06885 -0.00001 0.02789 -0.00411 0.02372 3.09257 D82 0.98305 -0.00010 0.02984 -0.00624 0.02354 1.00659 D83 -1.10914 -0.00005 0.02864 -0.00473 0.02384 -1.08531 D84 -0.26166 -0.00008 -0.01491 -0.00938 -0.02422 -0.28588 D85 -2.34746 -0.00017 -0.01295 -0.01151 -0.02440 -2.37186 D86 1.84353 -0.00012 -0.01416 -0.01000 -0.02410 1.81943 Item Value Threshold Converged? Maximum Force 0.004767 0.000450 NO RMS Force 0.000797 0.000300 NO Maximum Displacement 0.506617 0.001800 NO RMS Displacement 0.109896 0.001200 NO Predicted change in Energy=-6.397520D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.931950 -4.966043 2.045025 2 6 0 7.206794 -5.208177 3.519853 3 8 0 6.761591 -6.156756 1.332112 4 7 0 2.981335 -0.797761 0.146969 5 6 0 4.215403 -1.376994 0.337998 6 6 0 4.448258 -2.585651 0.987084 7 7 0 3.625435 -3.534951 1.575159 8 6 0 4.428262 -4.432563 2.040781 9 7 0 5.762801 -4.146783 1.816377 10 6 0 5.780434 -2.962412 1.126876 11 7 0 6.829344 -2.295445 0.698811 12 6 0 6.479521 -1.161470 0.103917 13 7 0 5.274914 -0.676060 -0.088322 14 1 0 7.740865 -4.394631 1.614407 15 1 0 8.099087 -5.816078 3.630346 16 1 0 7.378047 -4.265192 4.024218 17 7 0 4.110448 -5.573076 2.735248 18 1 0 6.376597 -5.719807 3.981873 19 1 0 7.575906 -6.637645 1.347330 20 6 0 2.887216 -5.934349 2.714062 21 1 0 7.288849 -0.562413 -0.274266 22 6 0 1.992406 -1.547483 -0.121896 23 1 0 2.074983 -2.616386 -0.263496 24 7 0 0.753473 -1.060270 -0.289638 25 6 0 0.510799 0.348736 -0.041324 26 6 0 -0.382337 -1.934381 -0.460753 27 1 0 -0.531433 0.558018 -0.235525 28 1 0 1.123063 0.959530 -0.689420 29 1 0 0.742109 0.614059 0.982776 30 1 0 -0.957462 -1.647834 -1.333137 31 1 0 -1.041243 -1.913175 0.403033 32 1 0 -0.043471 -2.950500 -0.601025 33 7 0 2.428779 -6.980874 3.407526 34 1 0 2.140602 -5.407226 2.135480 35 6 0 1.079713 -7.456075 3.161291 36 6 0 3.368350 -7.790916 4.163385 37 1 0 0.766966 -8.079017 3.984340 38 1 0 1.000451 -8.037630 2.247129 39 1 0 0.393402 -6.621651 3.100027 40 1 0 2.822560 -8.554459 4.696285 41 1 0 3.898817 -7.174862 4.874195 42 1 0 4.098414 -8.260348 3.514887 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519633 0.000000 3 O 1.398236 2.425741 0.000000 4 N 6.048517 6.977293 6.664363 0.000000 5 C 4.814025 5.809525 5.506129 1.376564 0.000000 6 C 3.599198 4.571879 4.268881 2.460530 1.391541 7 N 3.633434 4.405412 4.094925 3.153855 2.556444 8 C 2.559897 3.241832 2.986550 4.346482 3.504465 9 N 1.445813 2.472550 2.296102 4.662556 3.500253 10 C 2.486669 3.578310 3.347928 3.671633 2.363303 11 N 2.992476 4.072439 3.913487 4.165905 2.793998 12 C 4.295040 5.345408 5.151787 3.517306 2.286367 13 N 5.069605 6.106650 5.853706 2.308826 1.340008 14 H 1.079948 2.139583 2.035621 6.143613 4.812924 15 H 2.144297 1.085329 2.680827 7.969241 6.754851 16 H 2.146485 1.083020 3.347456 6.810816 5.650860 17 N 2.967451 3.214983 3.055819 5.547767 4.833728 18 H 2.151269 1.079099 2.713001 7.103579 6.067010 19 H 1.922423 2.626686 0.945830 7.526965 6.323462 20 C 4.212493 4.453693 4.119470 5.743114 5.308412 21 H 4.989834 5.998766 5.844238 4.334456 3.237975 22 C 6.386016 7.338451 6.790042 1.269784 2.276464 23 H 5.868585 6.882340 6.086418 2.073006 2.545444 24 N 7.673284 8.565203 8.043738 2.285368 3.532591 25 C 8.592491 9.402001 9.125796 2.730102 4.104402 26 C 8.304739 9.173760 8.489907 3.602155 4.699776 27 H 9.561288 10.355289 10.036626 3.784702 5.158066 28 H 8.736863 9.631738 9.301673 2.690872 4.009676 29 H 8.401192 9.062414 9.066429 2.775957 4.055095 30 H 9.201376 10.143108 9.328329 4.292722 5.442847 31 H 8.694132 9.412848 8.930587 4.182206 5.284320 32 H 7.727903 8.639739 7.766979 3.787246 4.636344 33 N 5.118056 5.097500 4.874400 7.011949 6.634568 34 H 4.812467 5.255703 4.749814 5.090007 4.876321 35 C 6.457165 6.536263 6.108835 7.552182 7.399916 36 C 5.016632 4.671009 4.711759 8.073760 7.515948 37 H 7.173463 7.066036 6.831174 8.523235 8.372851 38 H 6.682677 6.938611 6.129084 7.794247 7.638375 39 H 6.826908 6.971117 6.625367 7.023933 7.052866 40 H 6.065723 5.639424 5.708118 8.993768 8.511796 41 H 4.699253 4.079804 4.666730 7.990986 7.368350 42 H 4.587141 4.356351 4.035110 8.263228 7.582009 6 7 8 9 10 6 C 0.000000 7 N 1.387098 0.000000 8 C 2.126443 1.291140 0.000000 9 N 2.202925 2.236260 1.383120 0.000000 10 C 1.391468 2.274375 2.196574 1.370568 0.000000 11 N 2.415965 3.545334 3.483296 2.411207 1.314647 12 C 2.633306 3.992965 4.319624 3.515437 2.185991 13 N 2.342306 3.696107 4.400138 3.988964 2.638117 14 H 3.808832 4.204445 3.340146 2.003736 2.476334 15 H 5.545362 5.425946 4.232704 3.396360 4.448249 16 H 4.541883 4.540181 3.558548 2.738175 3.555868 17 N 3.477772 2.394786 1.372611 2.368313 3.491602 18 H 4.744490 4.258494 3.036585 2.746002 4.013683 19 H 5.131336 5.028403 3.905243 3.116368 4.096298 20 C 4.078368 2.756661 2.254660 3.502887 4.440977 21 H 3.708565 5.067244 5.340455 4.421235 3.162042 22 C 2.887706 3.081689 4.351351 4.972841 4.232094 23 H 2.682784 2.574551 3.761132 4.501998 3.972812 24 N 4.196218 4.224888 5.505205 6.249418 5.558327 25 C 5.017154 5.234214 6.522461 7.158510 6.332254 26 C 5.084785 4.771687 5.969962 6.916846 6.446484 27 H 6.014545 6.108233 7.395000 8.121750 7.354537 28 H 5.141585 5.620546 6.888614 7.340342 6.353870 29 H 4.896295 5.087118 6.338413 6.969064 6.180342 30 H 5.956907 5.746507 6.938592 7.831100 7.292395 31 H 5.561291 5.077589 6.240594 7.299421 6.939749 32 H 4.778162 4.305604 5.401115 6.402165 6.074838 33 N 5.408772 4.082149 3.515653 4.656128 5.708152 34 H 3.821698 2.454404 2.488438 3.848489 4.499197 35 C 6.308352 4.936773 4.648650 5.889951 6.813856 36 C 6.192727 4.987810 4.111860 4.951924 6.192979 37 H 7.260340 5.884177 5.520792 6.717209 7.712303 38 H 6.572607 5.255112 4.978853 6.164756 7.061235 39 H 6.098826 4.722179 4.711073 6.050056 6.804665 40 H 7.213025 5.965023 5.159458 6.030464 7.263656 41 H 6.039236 4.920094 3.978536 4.689771 5.943704 42 H 6.222086 5.129876 4.115061 4.751477 6.049786 11 12 13 14 15 11 N 0.000000 12 C 1.327469 0.000000 13 N 2.378705 1.312881 0.000000 14 H 2.464908 3.784957 4.775770 0.000000 15 H 4.754051 6.060039 6.944367 2.492557 0.000000 16 H 3.903756 5.080276 5.849617 2.440406 1.755073 17 N 4.720417 5.656737 5.771421 3.978058 4.095056 18 H 4.765473 5.985614 6.574160 3.036810 1.760627 19 H 4.453384 5.721593 6.549516 2.264873 2.482106 20 C 5.730901 6.519040 6.419039 5.209403 5.293124 21 H 2.039957 1.075595 2.025692 4.296196 6.595716 22 C 4.962759 4.509346 3.396376 6.645735 8.342169 23 H 4.861377 4.653142 3.746347 6.228234 7.854289 24 N 6.278447 5.740449 4.542200 7.972892 9.588640 25 C 6.889376 6.158527 4.873316 8.804251 10.443572 26 C 7.313227 6.928299 5.807458 8.737593 10.185244 27 H 7.949608 7.226709 5.937868 9.817428 11.404381 28 H 6.714439 5.815467 4.502703 8.818728 10.641153 29 H 6.752797 6.069826 4.833009 8.629514 10.123310 30 H 8.073572 7.590151 6.429341 9.586126 11.136943 31 H 7.885413 7.564153 6.454899 9.206002 10.449584 32 H 7.025258 6.800514 5.806992 8.221286 9.613390 33 N 6.975339 7.822263 7.750621 6.174317 5.792995 34 H 5.807882 6.401555 6.095338 5.714876 6.156730 35 C 8.108894 8.838977 8.609779 7.492412 7.223656 36 C 7.360839 8.373065 8.504891 6.095156 5.154026 37 H 8.999824 9.774632 9.576636 8.235688 7.681549 38 H 8.327423 9.049593 8.827122 7.687975 7.565659 39 H 8.118081 8.708105 8.327352 7.819968 7.765807 40 H 8.438565 9.440312 9.538117 7.140859 6.039594 41 H 7.059074 8.097930 8.291842 5.754757 4.586471 42 H 7.139210 8.227907 8.478720 5.641191 4.689687 16 17 18 19 20 16 H 0.000000 17 N 3.748227 0.000000 18 H 1.766522 2.590567 0.000000 19 H 3.582374 3.881884 3.036706 0.000000 20 C 4.966906 1.275642 3.718757 4.934207 0.000000 21 H 5.674107 6.653281 6.748751 6.294475 7.560567 22 C 7.319928 5.371665 7.312343 7.697003 5.299806 23 H 7.016092 4.677350 6.793988 7.001817 4.531496 24 N 8.530291 6.386285 8.460297 8.962833 6.109969 25 C 9.218246 7.465567 9.349916 10.032628 7.260624 26 C 9.261274 6.606031 8.930262 9.419315 6.063759 27 H 10.196501 8.243959 10.242969 10.954996 7.908100 28 H 9.414931 7.957874 9.697121 10.173721 7.888060 29 H 8.780269 7.259305 8.992213 9.971002 7.104961 30 H 10.248538 7.592299 9.930696 10.242143 7.038152 31 H 9.461998 6.736024 9.073197 9.872566 6.078115 32 H 8.843089 5.938322 8.359982 8.685967 5.336861 33 N 5.678952 2.293875 4.183950 5.554740 1.336515 34 H 5.683520 2.065798 4.631472 5.628289 1.081688 35 C 7.113043 3.593404 5.634267 6.794175 2.404731 36 C 5.341139 2.740273 3.656773 5.192661 2.403928 37 H 7.632382 4.361060 6.085544 7.442651 3.272410 38 H 7.619912 3.998045 6.106111 6.782787 2.863861 39 H 7.429152 3.879305 6.114704 7.393279 2.615428 40 H 6.293008 3.793806 4.601828 6.122416 3.286087 41 H 4.614507 2.680597 3.008790 5.123316 2.688566 42 H 5.193908 2.798108 3.444204 4.407314 2.742005 21 22 23 24 25 21 H 0.000000 22 C 5.389424 0.000000 23 H 5.603867 1.081399 0.000000 24 N 6.554330 1.341815 2.041707 0.000000 25 C 6.842983 2.407757 3.359759 1.451154 0.000000 26 C 7.795138 2.429798 2.557823 1.443404 2.487215 27 H 7.900233 3.288739 4.107435 2.067067 1.080629 28 H 6.364400 2.713476 3.724881 2.091893 1.080724 29 H 6.769346 2.730531 3.710191 2.102984 1.082904 30 H 8.384569 3.190438 3.358266 2.088401 2.794792 31 H 8.466034 3.100371 3.263376 2.104339 2.778944 32 H 7.718332 2.518494 2.171037 2.074861 3.391967 33 N 8.852825 6.493765 5.714047 7.178386 8.324446 34 H 7.468838 4.473849 3.680785 5.167335 6.365990 35 C 9.893381 6.820835 6.011848 7.274728 8.455500 36 C 9.344213 7.696578 6.931510 8.483430 9.596828 37 H 10.824510 7.811775 7.042397 8.217657 9.343373 38 H 10.088620 6.979848 6.070235 7.428307 8.706775 39 H 9.779949 6.219709 5.493919 6.522916 7.646448 40 H 10.417625 8.544106 7.772967 9.235985 10.346790 41 H 9.040102 7.762907 7.106472 8.599221 9.604453 42 H 9.153947 7.919850 7.086943 8.803645 9.981680 26 27 28 29 30 26 C 0.000000 27 H 2.506992 0.000000 28 H 3.270052 1.761985 0.000000 29 H 3.137308 1.763322 1.749490 0.000000 30 H 1.083481 2.500407 3.397249 3.656248 0.000000 31 H 1.086615 2.602778 3.759004 3.146960 1.758326 32 H 1.080279 3.561094 4.081293 3.978899 1.751658 33 N 6.952197 8.880853 9.029943 8.149066 7.898217 34 H 5.016602 6.953097 7.039249 6.288114 5.980162 35 C 6.763571 8.852108 9.254851 8.365821 7.621393 36 C 8.351605 10.210945 10.254820 9.362532 9.309235 37 H 7.670482 9.700076 10.181659 9.196716 8.521111 38 H 6.818679 9.077191 9.465054 8.747403 7.581638 39 H 5.937290 7.970499 8.506857 7.547174 6.798281 40 H 8.982864 10.890787 11.063910 10.108420 9.916853 41 H 8.616994 10.272963 10.238504 9.261492 9.626134 42 H 8.712100 10.642586 10.561016 9.819952 9.632786 31 32 33 34 35 31 H 0.000000 32 H 1.754914 0.000000 33 N 6.837368 6.198743 0.000000 34 H 5.033279 4.277165 2.043897 0.000000 35 C 6.544477 5.976351 1.451353 2.524986 0.000000 36 C 8.254247 7.600641 1.452682 3.361806 2.520748 37 H 7.356153 6.927054 2.073706 3.527553 1.078554 38 H 6.714027 5.922892 2.122115 2.869048 1.086361 39 H 5.612639 5.231251 2.089583 2.336212 1.082146 40 H 8.801570 8.226785 2.071747 4.114349 2.569080 41 H 8.490043 7.960208 2.085609 3.703568 3.310660 42 H 8.739926 7.892428 2.106244 3.725063 3.143953 36 37 38 39 40 36 C 0.000000 37 H 2.623406 0.000000 38 H 3.056117 1.753319 0.000000 39 H 3.368713 1.745130 1.760949 0.000000 40 H 1.079290 2.226742 3.096055 3.490645 0.000000 41 H 1.079893 3.379029 4.005792 3.967576 1.758770 42 H 1.083472 3.369245 3.354726 4.072414 1.763522 41 42 41 H 0.000000 42 H 1.750954 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.486070 -2.245699 0.216737 2 6 0 3.458103 -2.183664 -0.949706 3 8 0 3.051299 -1.777882 1.407001 4 7 0 -3.245710 -0.374894 -0.264237 5 6 0 -2.218426 -1.277909 -0.108745 6 6 0 -0.863034 -0.963412 -0.088986 7 7 0 -0.150261 0.223162 -0.178635 8 6 0 1.091497 -0.126663 -0.126665 9 7 0 1.274024 -1.493425 -0.018644 10 6 0 0.016209 -2.036592 0.017785 11 7 0 -0.309993 -3.306714 0.110941 12 6 0 -1.625822 -3.478461 0.075280 13 7 0 -2.567010 -2.569567 -0.033040 14 1 0 2.142941 -3.261073 0.349276 15 1 0 4.340045 -2.773917 -0.722289 16 1 0 2.997034 -2.597039 -1.838226 17 7 0 2.200738 0.678540 -0.199414 18 1 0 3.759361 -1.164952 -1.139239 19 1 0 3.757867 -2.356059 1.654118 20 6 0 2.009803 1.931155 -0.051891 21 1 0 -1.967093 -4.495841 0.148603 22 6 0 -3.147460 0.760687 0.295367 23 1 0 -2.322301 1.041106 0.935603 24 7 0 -4.092158 1.704410 0.163462 25 6 0 -5.203330 1.467769 -0.739393 26 6 0 -3.906134 3.034715 0.691762 27 1 0 -5.861252 2.324439 -0.707535 28 1 0 -5.752889 0.585907 -0.442292 29 1 0 -4.860649 1.319999 -1.755963 30 1 0 -4.755056 3.327668 1.297931 31 1 0 -3.783502 3.769317 -0.099473 32 1 0 -3.024003 3.060318 1.314813 33 7 0 2.988984 2.832579 -0.173992 34 1 0 1.035580 2.342784 0.175043 35 6 0 2.738491 4.206529 0.220901 36 6 0 4.345353 2.370847 -0.413477 37 1 0 3.492879 4.843757 -0.212823 38 1 0 2.758257 4.343230 1.298446 39 1 0 1.776527 4.534275 -0.150916 40 1 0 4.990634 3.227577 -0.533866 41 1 0 4.379084 1.774195 -1.312943 42 1 0 4.707928 1.762927 0.406817 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3232240 0.1984245 0.1281055 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.6058467401 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.91D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999996 0.000072 0.000233 0.002723 Ang= 0.31 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37688831 A.U. after 13 cycles NFock= 13 Conv=0.99D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000530894 0.001117451 -0.000326742 2 6 -0.001161296 -0.000294949 -0.000229069 3 8 -0.000791640 -0.000017991 -0.000373434 4 7 -0.001847932 -0.001634156 -0.000608964 5 6 0.005017563 0.004414228 -0.001157911 6 6 0.004495583 -0.001674757 0.000226107 7 7 0.002515121 -0.000866851 0.000937461 8 6 0.002129480 0.000976364 0.000039860 9 7 -0.002828065 0.000680591 -0.001524850 10 6 -0.004533064 -0.000285521 -0.000119528 11 7 -0.002898268 0.004164609 -0.001477565 12 6 0.004477316 -0.002773702 -0.000114357 13 7 -0.005169758 -0.004103482 0.002601238 14 1 0.001083797 0.000431014 0.000353826 15 1 0.001158215 -0.000358332 0.000035554 16 1 -0.000020295 0.000694841 0.000753448 17 7 -0.003165679 -0.000157261 0.000144017 18 1 -0.000316216 -0.000437713 0.000452742 19 1 0.001225868 -0.001520121 -0.000290997 20 6 0.000136061 0.002218595 -0.000513297 21 1 0.000294313 -0.000183019 0.000552928 22 6 -0.000468322 -0.001109978 -0.000708037 23 1 0.000440138 0.001820752 0.000628995 24 7 -0.001601418 0.001215139 0.002224072 25 6 0.000489017 -0.000260503 -0.001137979 26 6 0.000553803 -0.000090064 -0.000257985 27 1 -0.000883923 0.000422889 -0.000411307 28 1 0.000625459 -0.000130407 -0.000400039 29 1 -0.000111259 -0.000362879 0.000995880 30 1 -0.000700412 0.000380424 -0.000793776 31 1 0.000462517 0.000265028 0.000534164 32 1 0.000204164 -0.001137609 -0.000271402 33 7 -0.000614190 0.000015381 -0.000707295 34 1 0.001612392 -0.000294809 0.000840112 35 6 0.001211225 -0.000516404 0.000210026 36 6 -0.000471884 -0.000065853 -0.001318383 37 1 -0.000770442 -0.000423009 0.001604143 38 1 0.000838972 -0.000641153 -0.000211478 39 1 0.000199237 0.000780527 -0.000666025 40 1 -0.000573298 -0.000709443 0.000671412 41 1 0.000349790 0.000758346 0.000533821 42 1 -0.000061772 -0.000306213 -0.000719388 ------------------------------------------------------------------- Cartesian Forces: Max 0.005169758 RMS 0.001527008 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004785644 RMS 0.000936358 Search for a local minimum. Step number 9 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 DE= -5.44D-04 DEPred=-6.40D-04 R= 8.50D-01 TightC=F SS= 1.41D+00 RLast= 5.08D-01 DXNew= 2.4902D+00 1.5246D+00 Trust test= 8.50D-01 RLast= 5.08D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00177 0.00258 0.00852 0.01141 0.01193 Eigenvalues --- 0.01212 0.01248 0.01266 0.01493 0.01543 Eigenvalues --- 0.01601 0.01832 0.02123 0.02133 0.02200 Eigenvalues --- 0.02325 0.02329 0.02476 0.02594 0.02605 Eigenvalues --- 0.02689 0.02725 0.02816 0.02934 0.03321 Eigenvalues --- 0.03467 0.05237 0.05508 0.05676 0.05767 Eigenvalues --- 0.06583 0.07346 0.07372 0.07552 0.07569 Eigenvalues --- 0.07615 0.07732 0.07776 0.07791 0.08424 Eigenvalues --- 0.15590 0.15861 0.15957 0.15999 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16002 0.16005 Eigenvalues --- 0.16010 0.16037 0.16354 0.17079 0.18355 Eigenvalues --- 0.20704 0.22093 0.22107 0.23054 0.23552 Eigenvalues --- 0.24312 0.24417 0.24535 0.24664 0.24801 Eigenvalues --- 0.24924 0.24969 0.25060 0.26204 0.27201 Eigenvalues --- 0.27674 0.32774 0.32833 0.33170 0.33313 Eigenvalues --- 0.33380 0.33497 0.33527 0.33587 0.33596 Eigenvalues --- 0.33622 0.33650 0.33680 0.33689 0.33749 Eigenvalues --- 0.33792 0.34737 0.35406 0.35837 0.37300 Eigenvalues --- 0.37620 0.39073 0.39491 0.39747 0.39987 Eigenvalues --- 0.40280 0.40558 0.41008 0.42024 0.42872 Eigenvalues --- 0.47246 0.47410 0.48469 0.49949 0.51661 Eigenvalues --- 0.54420 0.55538 0.59283 0.59926 0.64908 Eigenvalues --- 0.67905 0.71015 0.74848 0.76744 0.88313 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 7 6 RFO step: Lambda=-1.02563094D-03. DidBck=F Rises=F RFO-DIIS coefs: 2.17021 -1.32249 -1.28813 1.44040 Iteration 1 RMS(Cart)= 0.08424665 RMS(Int)= 0.00295914 Iteration 2 RMS(Cart)= 0.00403574 RMS(Int)= 0.00022874 Iteration 3 RMS(Cart)= 0.00000969 RMS(Int)= 0.00022865 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00022865 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87169 0.00098 0.00200 0.00041 0.00242 2.87411 R2 2.64228 0.00160 -0.00156 0.00756 0.00600 2.64829 R3 2.73219 0.00080 0.00658 -0.00699 -0.00041 2.73178 R4 2.04081 0.00090 0.00433 -0.00343 0.00091 2.04171 R5 2.05097 0.00116 0.00274 -0.00017 0.00257 2.05354 R6 2.04661 0.00095 0.00205 0.00048 0.00253 2.04914 R7 2.03920 0.00064 0.00054 -0.00040 0.00014 2.03934 R8 1.78736 0.00182 -0.00112 0.00103 -0.00009 1.78727 R9 2.60133 0.00231 0.00217 0.00301 0.00519 2.60651 R10 2.39954 0.00009 -0.00665 0.00392 -0.00272 2.39682 R11 2.62963 0.00010 0.01341 -0.00591 0.00746 2.63709 R12 2.53225 -0.00462 -0.01816 0.00051 -0.01765 2.51460 R13 2.62124 -0.00131 -0.00405 0.00016 -0.00389 2.61734 R14 2.62949 -0.00479 -0.01517 0.00230 -0.01286 2.61663 R15 2.43990 -0.00271 -0.00052 -0.00157 -0.00212 2.43778 R16 2.61372 -0.00212 0.00283 -0.00544 -0.00263 2.61109 R17 2.59386 -0.00031 0.00328 -0.00336 -0.00008 2.59378 R18 2.59000 -0.00011 0.00127 -0.00361 -0.00232 2.58768 R19 2.48432 -0.00001 0.01227 -0.00651 0.00576 2.49008 R20 2.50855 -0.00417 -0.01754 -0.00019 -0.01769 2.49086 R21 2.48099 0.00189 0.00442 0.00683 0.01129 2.49228 R22 2.03258 -0.00007 -0.00163 0.00069 -0.00094 2.03164 R23 2.41061 -0.00201 0.00047 -0.00277 -0.00230 2.40832 R24 2.52565 0.00052 0.00122 0.00030 0.00152 2.52716 R25 2.04409 -0.00171 -0.00248 -0.00085 -0.00332 2.04077 R26 2.04355 -0.00185 -0.00093 -0.00105 -0.00198 2.04157 R27 2.53566 0.00094 0.00267 0.00045 0.00312 2.53878 R28 2.74228 -0.00050 -0.00309 0.00193 -0.00116 2.74113 R29 2.72764 0.00004 -0.00288 0.00450 0.00162 2.72926 R30 2.04209 0.00101 0.00410 -0.00223 0.00187 2.04396 R31 2.04227 0.00052 0.00194 -0.00106 0.00088 2.04315 R32 2.04639 0.00083 0.00326 -0.00085 0.00241 2.04880 R33 2.04748 0.00111 0.00430 -0.00198 0.00232 2.04980 R34 2.05340 0.00015 0.00042 -0.00080 -0.00039 2.05302 R35 2.04143 0.00117 0.00343 -0.00047 0.00296 2.04440 R36 2.74266 -0.00127 -0.00431 0.00158 -0.00274 2.73992 R37 2.74517 -0.00074 -0.00315 0.00194 -0.00121 2.74396 R38 2.03817 0.00169 0.00647 -0.00244 0.00403 2.04220 R39 2.05293 0.00046 0.00182 -0.00063 0.00119 2.05412 R40 2.04496 0.00051 0.00121 -0.00067 0.00054 2.04550 R41 2.03956 0.00112 0.00355 -0.00116 0.00239 2.04195 R42 2.04070 0.00096 0.00336 -0.00154 0.00182 2.04253 R43 2.04746 0.00052 0.00183 -0.00047 0.00136 2.04883 A1 1.96187 -0.00029 -0.00988 0.00847 -0.00140 1.96046 A2 1.97145 -0.00043 0.01308 -0.01126 0.00180 1.97325 A3 1.91327 -0.00005 -0.00204 0.00024 -0.00167 1.91160 A4 1.87904 0.00048 -0.01501 0.01473 -0.00035 1.87869 A5 1.91616 0.00009 -0.00514 0.00751 0.00246 1.91862 A6 1.81607 0.00025 0.02068 -0.02131 -0.00067 1.81540 A7 1.91425 -0.00027 -0.00580 0.00073 -0.00508 1.90917 A8 1.91967 0.00040 -0.00291 0.00831 0.00542 1.92509 A9 1.93043 0.00032 0.01130 -0.00837 0.00294 1.93337 A10 1.88628 -0.00014 -0.00066 -0.00097 -0.00163 1.88465 A11 1.90007 -0.00001 -0.00144 0.00158 0.00012 1.90019 A12 1.91249 -0.00031 -0.00081 -0.00117 -0.00195 1.91054 A13 1.89639 0.00134 -0.00867 0.01486 0.00619 1.90257 A14 2.07047 0.00199 0.00103 0.00670 0.00773 2.07820 A15 2.18980 -0.00081 -0.01042 0.00121 -0.00918 2.18062 A16 2.03150 0.00168 0.00299 0.00665 0.00969 2.04118 A17 2.06057 -0.00085 0.00711 -0.00697 0.00015 2.06072 A18 2.33634 -0.00069 0.00441 -0.00556 -0.00110 2.33523 A19 2.02890 0.00090 0.00009 0.00071 0.00075 2.02965 A20 1.91774 -0.00021 -0.00453 0.00483 0.00035 1.91809 A21 1.83364 0.00086 0.00731 -0.00690 0.00032 1.83396 A22 1.97992 -0.00071 -0.00668 0.00495 -0.00160 1.97832 A23 2.23463 -0.00185 -0.00705 0.00101 -0.00579 2.22885 A24 2.06823 0.00256 0.01384 -0.00678 0.00730 2.07553 A25 2.26205 -0.00000 0.01726 -0.00954 0.00766 2.26971 A26 2.16376 0.00027 -0.01028 0.00833 -0.00198 2.16178 A27 1.84687 -0.00024 -0.00424 0.00210 -0.00224 1.84464 A28 1.84648 0.00030 0.00804 -0.00494 0.00313 1.84961 A29 2.20655 -0.00065 -0.01281 0.00958 -0.00324 2.20331 A30 2.23000 0.00035 0.00468 -0.00456 0.00011 2.23011 A31 1.94878 0.00121 0.01163 -0.00790 0.00384 1.95262 A32 2.24369 -0.00177 -0.00068 -0.00097 -0.00205 2.24164 A33 2.02089 0.00038 0.01424 -0.00925 0.00444 2.02533 A34 2.01860 0.00140 -0.01221 0.01037 -0.00239 2.01621 A35 2.07771 0.00117 -0.00519 0.00578 0.00067 2.07839 A36 2.03638 -0.00082 0.01159 -0.00909 0.00249 2.03887 A37 2.14368 -0.00051 -0.00235 0.00108 -0.00127 2.14241 A38 2.13264 -0.00043 -0.00116 -0.00110 -0.00226 2.13037 A39 2.00684 0.00094 0.00351 0.00005 0.00356 2.01040 A40 2.15539 -0.00087 -0.00112 -0.00365 -0.00473 2.15067 A41 2.13080 0.00045 -0.00605 0.01010 0.00409 2.13488 A42 1.99659 0.00043 0.00716 -0.00659 0.00062 1.99720 A43 2.07781 -0.00023 -0.00042 -0.00058 0.00013 2.07794 A44 2.11940 -0.00048 -0.00043 -0.00229 -0.00150 2.11789 A45 2.06769 0.00078 0.00097 0.00479 0.00683 2.07452 A46 1.89502 0.00049 0.00991 -0.00793 0.00196 1.89699 A47 1.92986 -0.00067 -0.00791 0.00617 -0.00171 1.92816 A48 1.94335 -0.00065 -0.00720 0.00524 -0.00193 1.94142 A49 1.90623 0.00013 0.00097 -0.00103 -0.00006 1.90616 A50 1.90553 0.00011 0.00086 -0.00117 -0.00034 1.90518 A51 1.88351 0.00060 0.00337 -0.00136 0.00209 1.88559 A52 1.93156 0.00022 0.00295 0.00046 0.00341 1.93497 A53 1.95099 -0.00113 -0.01490 0.00756 -0.00733 1.94367 A54 1.91578 0.00043 0.00428 0.00097 0.00521 1.92098 A55 1.88916 0.00036 0.00291 -0.00286 0.00010 1.88926 A56 1.88675 -0.00006 0.00343 -0.00310 0.00028 1.88702 A57 1.88787 0.00020 0.00186 -0.00349 -0.00165 1.88623 A58 2.07966 0.00151 0.00410 0.00199 0.00718 2.08683 A59 2.07687 -0.00001 -0.00028 -0.00049 0.00035 2.07722 A60 2.10238 -0.00152 -0.00841 -0.00318 -0.01047 2.09191 A61 1.90623 0.00042 0.00892 -0.00606 0.00288 1.90910 A62 1.96694 -0.00104 -0.01005 0.00573 -0.00433 1.96261 A63 1.92480 -0.00062 -0.00997 0.00610 -0.00384 1.92095 A64 1.88788 0.00041 0.00458 -0.00199 0.00258 1.89047 A65 1.88037 0.00027 0.00326 -0.00162 0.00169 1.88206 A66 1.89533 0.00063 0.00396 -0.00259 0.00137 1.89670 A67 1.90109 0.00015 0.00596 -0.00669 -0.00074 1.90035 A68 1.91994 -0.00024 -0.00385 0.00400 0.00016 1.92010 A69 1.94548 -0.00063 -0.00885 0.00740 -0.00145 1.94404 A70 1.90392 0.00009 0.00154 -0.00134 0.00020 1.90412 A71 1.90685 0.00016 0.00071 -0.00149 -0.00079 1.90606 A72 1.88614 0.00048 0.00463 -0.00199 0.00265 1.88879 D1 1.02314 0.00012 0.03285 0.02083 0.05365 1.07679 D2 3.09542 0.00003 0.02673 0.02513 0.05182 -3.13594 D3 -1.07281 0.00011 0.03128 0.02369 0.05492 -1.01789 D4 -3.12944 0.00021 0.01524 0.03824 0.05348 -3.07596 D5 -1.05716 0.00012 0.00911 0.04254 0.05165 -1.00551 D6 1.05780 0.00020 0.01367 0.04110 0.05475 1.11254 D7 -1.11306 0.00024 0.04734 0.00525 0.05265 -1.06041 D8 0.95922 0.00014 0.04121 0.00955 0.05082 1.01004 D9 3.07417 0.00022 0.04577 0.00811 0.05392 3.12809 D10 -1.12931 -0.00001 0.01312 -0.00170 0.01139 -1.11793 D11 2.97167 0.00039 0.01405 -0.00377 0.01029 2.98197 D12 1.00526 -0.00020 0.00023 0.00980 0.01004 1.01530 D13 -1.18871 0.00071 0.09103 0.01084 0.10186 -1.08685 D14 2.13085 0.00047 0.06726 0.00302 0.07017 2.20102 D15 0.98774 0.00039 0.07611 0.02487 0.10103 1.08877 D16 -1.97588 0.00016 0.05233 0.01705 0.06934 -1.90655 D17 3.02076 0.00083 0.07362 0.02963 0.10336 3.12412 D18 0.05714 0.00060 0.04984 0.02181 0.07166 0.12880 D19 -0.66681 0.00086 -0.00172 0.07243 0.07072 -0.59609 D20 2.53121 0.00059 0.00064 0.05351 0.05415 2.58536 D21 -0.06081 0.00046 0.00150 0.01400 0.01553 -0.04527 D22 3.11322 0.00041 -0.00333 0.01982 0.01646 3.12967 D23 0.02546 -0.00013 -0.00326 -0.00470 -0.00778 0.01768 D24 -3.09129 -0.00013 -0.00416 -0.00363 -0.00758 -3.09887 D25 3.10977 0.00021 -0.00571 0.01490 0.00923 3.11900 D26 -0.00698 0.00022 -0.00661 0.01598 0.00943 0.00245 D27 3.10636 0.00010 -0.00256 0.00513 0.00298 3.10934 D28 0.01684 -0.00014 0.00053 -0.01256 -0.01207 0.00478 D29 -3.11875 -0.00009 -0.00226 -0.00212 -0.00437 -3.12312 D30 -0.00085 -0.00008 -0.00143 -0.00317 -0.00455 -0.00540 D31 3.11417 0.00002 -0.00055 0.00325 0.00270 3.11686 D32 -0.00947 0.00002 0.00379 -0.00163 0.00223 -0.00724 D33 -0.00838 0.00003 -0.00129 0.00421 0.00287 -0.00551 D34 -3.13202 0.00003 0.00305 -0.00068 0.00240 -3.12961 D35 0.01012 0.00009 0.00366 0.00094 0.00456 0.01469 D36 3.12047 0.00010 0.03202 -0.03100 0.00160 3.12208 D37 -3.00396 -0.00030 -0.02401 -0.00589 -0.02998 -3.03394 D38 -0.01556 -0.00006 -0.00440 0.00159 -0.00285 -0.01840 D39 0.16563 -0.00023 -0.04994 0.02260 -0.02707 0.13856 D40 -3.12915 0.00001 -0.03033 0.03008 0.00007 -3.12908 D41 0.24974 0.00037 0.01791 0.02323 0.04118 0.29093 D42 -2.92447 0.00032 0.04789 -0.00992 0.03793 -2.88654 D43 3.01302 0.00022 0.02436 0.00152 0.02593 3.03895 D44 -0.14685 0.00021 0.01969 0.00669 0.02636 -0.12049 D45 0.01367 0.00002 0.00335 -0.00349 -0.00015 0.01352 D46 3.13698 0.00002 -0.00133 0.00168 0.00028 3.13727 D47 0.01402 -0.00028 0.00489 -0.01508 -0.01018 0.00384 D48 -3.10571 -0.00028 0.01018 -0.02107 -0.01076 -3.11647 D49 -0.00283 0.00037 -0.01248 0.02012 0.00757 0.00475 D50 -3.13980 -0.00029 0.02275 -0.02418 -0.00134 -3.14115 D51 -0.01264 -0.00018 0.01023 -0.00686 0.00341 -0.00923 D52 3.12434 0.00047 -0.02512 0.03735 0.01231 3.13664 D53 -3.07447 -0.00010 0.00265 -0.00600 -0.00336 -3.07782 D54 0.05873 -0.00002 0.00332 -0.00025 0.00308 0.06180 D55 -2.96766 0.00039 0.00356 0.01584 0.01948 -2.94818 D56 -0.05980 0.00007 -0.00294 0.00746 0.00443 -0.05537 D57 0.18178 0.00032 0.00291 0.01048 0.01347 0.19525 D58 3.08964 -0.00000 -0.00359 0.00209 -0.00157 3.08806 D59 -0.09679 0.00024 0.00934 0.00542 0.01509 -0.08171 D60 -3.03089 -0.00022 -0.01272 -0.00588 -0.01896 -3.04985 D61 3.07449 0.00022 0.00494 0.01073 0.01603 3.09053 D62 0.14039 -0.00024 -0.01712 -0.00057 -0.01801 0.12238 D63 3.13211 -0.00044 -0.03693 -0.02203 -0.05869 3.07343 D64 1.04109 -0.00051 -0.03952 -0.01953 -0.05881 0.98229 D65 -1.05270 -0.00039 -0.03397 -0.02539 -0.05903 -1.11173 D66 -0.21079 -0.00013 -0.01428 -0.01190 -0.02647 -0.23726 D67 -2.30181 -0.00020 -0.01687 -0.00940 -0.02659 -2.32840 D68 1.88758 -0.00008 -0.01132 -0.01525 -0.02681 1.86077 D69 -2.25198 -0.00016 0.00818 0.00528 0.01342 -2.23855 D70 1.92400 -0.00001 0.01240 0.00349 0.01591 1.93991 D71 -0.17085 0.00018 0.01689 0.00234 0.01924 -0.15161 D72 1.09594 -0.00051 -0.01441 -0.00534 -0.01979 1.07615 D73 -1.01126 -0.00036 -0.01020 -0.00713 -0.01730 -1.02856 D74 -3.10612 -0.00017 -0.00571 -0.00828 -0.01397 -3.12009 D75 -2.83952 0.00056 0.05639 0.03802 0.09438 -2.74514 D76 1.34497 0.00043 0.05102 0.04099 0.09195 1.43692 D77 -0.77626 0.00078 0.05998 0.03599 0.09590 -0.68036 D78 0.53930 0.00067 0.06182 0.04615 0.10804 0.64735 D79 -1.55940 0.00054 0.05645 0.04912 0.10561 -1.45378 D80 2.60256 0.00089 0.06541 0.04412 0.10956 2.71212 D81 3.09257 -0.00016 -0.00679 -0.00559 -0.01241 3.08015 D82 1.00659 -0.00022 -0.01002 -0.00225 -0.01230 0.99429 D83 -1.08531 -0.00026 -0.00760 -0.00718 -0.01479 -1.10010 D84 -0.28588 -0.00006 -0.01173 -0.01337 -0.02507 -0.31095 D85 -2.37186 -0.00012 -0.01495 -0.01003 -0.02496 -2.39681 D86 1.81943 -0.00016 -0.01253 -0.01496 -0.02745 1.79198 Item Value Threshold Converged? Maximum Force 0.004786 0.000450 NO RMS Force 0.000936 0.000300 NO Maximum Displacement 0.397736 0.001800 NO RMS Displacement 0.084674 0.001200 NO Predicted change in Energy=-3.537696D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.944068 -4.944409 2.055571 2 6 0 7.147982 -5.259512 3.529444 3 8 0 6.840658 -6.102333 1.272961 4 7 0 2.988837 -0.799010 0.128735 5 6 0 4.229804 -1.370479 0.318251 6 6 0 4.461098 -2.578859 0.976811 7 7 0 3.637061 -3.517140 1.575916 8 6 0 4.435663 -4.418325 2.038777 9 7 0 5.768942 -4.140406 1.805760 10 6 0 5.785348 -2.960444 1.111129 11 7 0 6.835606 -2.297110 0.671511 12 6 0 6.491512 -1.178286 0.065511 13 7 0 5.282200 -0.688294 -0.126458 14 1 0 7.760398 -4.331910 1.700926 15 1 0 8.078420 -5.806460 3.656024 16 1 0 7.217857 -4.342549 4.104014 17 7 0 4.106531 -5.551587 2.739730 18 1 0 6.335552 -5.860328 3.908376 19 1 0 7.659336 -6.574338 1.311500 20 6 0 2.889225 -5.925496 2.689529 21 1 0 7.299155 -0.583065 -0.320829 22 6 0 1.985077 -1.552214 -0.055228 23 1 0 2.055388 -2.628764 -0.112302 24 7 0 0.745304 -1.066137 -0.232984 25 6 0 0.524790 0.362509 -0.112914 26 6 0 -0.398698 -1.942473 -0.328822 27 1 0 -0.507895 0.575287 -0.354132 28 1 0 1.167847 0.902975 -0.793607 29 1 0 0.733908 0.708958 0.892912 30 1 0 -0.982891 -1.719638 -1.215192 31 1 0 -1.045726 -1.844918 0.538431 32 1 0 -0.073190 -2.972341 -0.390552 33 7 0 2.423947 -6.969775 3.383370 34 1 0 2.157553 -5.415563 2.080537 35 6 0 1.099179 -7.485317 3.098020 36 6 0 3.350371 -7.756862 4.177510 37 1 0 0.729701 -8.021859 3.960278 38 1 0 1.091143 -8.160593 2.246261 39 1 0 0.417693 -6.668244 2.898939 40 1 0 2.795863 -8.513411 4.713938 41 1 0 3.860551 -7.121922 4.888019 42 1 0 4.096831 -8.236355 3.554326 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520912 0.000000 3 O 1.401414 2.428273 0.000000 4 N 6.044905 6.982793 6.653647 0.000000 5 C 4.812327 5.826844 5.488031 1.379308 0.000000 6 C 3.595092 4.573968 4.262028 2.460620 1.395487 7 N 3.633657 4.379349 4.127716 3.146865 2.557580 8 C 2.563033 3.207235 3.034198 4.340623 3.505989 9 N 1.445596 2.474921 2.298175 4.659005 3.500590 10 C 2.484093 3.604266 3.318334 3.668429 2.361433 11 N 2.989244 4.128097 3.852466 4.163717 2.788126 12 C 4.283553 5.393162 5.081937 3.523717 2.283888 13 N 5.063356 6.143517 5.805083 2.310172 1.330669 14 H 1.080427 2.139854 2.040459 6.141740 4.811130 15 H 2.142740 1.086687 2.701589 7.963679 6.755036 16 H 2.152513 1.084359 3.354695 6.800303 5.665127 17 N 2.981334 3.155849 3.151219 5.536563 4.833262 18 H 2.154550 1.079172 2.694273 7.148645 6.122248 19 H 1.929228 2.628597 0.945784 7.521098 6.310974 20 C 4.219738 4.391584 4.201400 5.731357 5.307381 21 H 4.979426 6.059424 5.763047 4.339076 3.232547 22 C 6.368206 7.297227 6.785598 1.268343 2.282830 23 H 5.827613 6.790999 6.073175 2.068194 2.548871 24 N 7.661798 8.528455 8.048881 2.288151 3.540935 25 C 8.606557 9.420221 9.143578 2.734785 4.112940 26 C 8.283306 9.101722 8.501672 3.604478 4.708387 27 H 9.581517 10.379764 10.061774 3.788006 5.165645 28 H 8.699107 9.613899 9.248019 2.657720 3.972456 29 H 8.478114 9.149551 9.155901 2.818269 4.107990 30 H 9.161534 10.057504 9.306280 4.292822 5.444772 31 H 8.703181 9.367095 8.992228 4.188015 5.301394 32 H 7.688594 8.528942 7.769519 3.790651 4.645871 33 N 5.128026 5.026216 4.971280 6.999293 6.633867 34 H 4.809712 5.198852 4.801594 5.080662 4.874688 35 C 6.457991 6.459749 6.181268 7.556069 7.410748 36 C 5.032612 4.591144 4.832802 8.058226 7.513533 37 H 7.191451 7.000751 6.946226 8.482569 8.352002 38 H 6.681088 6.837260 6.183904 7.891645 7.724899 39 H 6.802679 6.904988 6.649702 6.980883 7.018437 40 H 6.083773 5.561639 5.832151 8.976264 8.508803 41 H 4.719365 4.015159 4.794711 7.961777 7.355150 42 H 4.603252 4.262831 4.157795 8.262955 7.591450 6 7 8 9 10 6 C 0.000000 7 N 1.385039 0.000000 8 C 2.124159 1.290016 0.000000 9 N 2.199100 2.232981 1.381727 0.000000 10 C 1.384661 2.267393 2.192623 1.369340 0.000000 11 N 2.410577 3.540778 3.482627 2.412889 1.317694 12 C 2.629574 3.987411 4.314875 3.510659 2.183592 13 N 2.337873 3.688756 4.395225 3.985908 2.635801 14 H 3.805642 4.204924 3.342974 2.003387 2.475803 15 H 5.539008 5.412347 4.220436 3.396012 4.453591 16 H 4.526557 4.460345 3.465768 2.724368 3.594392 17 N 3.474293 2.390364 1.372569 2.372202 3.490672 18 H 4.782853 4.267640 3.030569 2.774918 4.066526 19 H 5.128801 5.059157 3.945807 3.121203 4.075808 20 C 4.074821 2.756733 2.255331 3.501481 4.435134 21 H 3.704272 5.061360 5.336342 4.417987 3.161336 22 C 2.872244 3.041482 4.313331 4.947692 4.217293 23 H 2.641231 2.478100 3.673606 4.444605 3.939467 24 N 4.190353 4.200213 5.478760 6.232539 5.549512 25 C 5.033256 5.252623 6.540724 7.173471 6.341433 26 C 5.072207 4.732331 5.925067 6.886736 6.430564 27 H 6.034148 6.136262 7.423001 8.142579 7.365684 28 H 5.109115 5.590087 6.856914 7.304963 6.314693 29 H 4.970787 5.172494 6.426899 7.049907 6.247334 30 H 5.931286 5.689047 6.872551 7.782899 7.263638 31 H 5.572787 5.079488 6.238516 7.301718 6.945211 32 H 4.752292 4.234355 5.321867 6.349699 6.047947 33 N 5.405706 4.081572 3.516366 4.656520 5.704107 34 H 3.817253 2.459187 2.487170 3.839747 4.486453 35 C 6.314694 4.950160 4.654091 5.887704 6.810462 36 C 6.187884 4.982543 4.110702 4.955143 6.191723 37 H 7.242282 5.867745 5.514688 6.715771 7.700334 38 H 6.642578 5.337857 5.023289 6.183668 7.096875 39 H 6.063561 4.695123 4.684666 6.018378 6.764301 40 H 7.208191 5.959658 5.158988 6.034888 7.263105 41 H 6.024751 4.900453 3.969682 4.693796 5.940341 42 H 6.227642 5.137751 4.121777 4.757124 6.054381 11 12 13 14 15 11 N 0.000000 12 C 1.318106 0.000000 13 N 2.374472 1.318856 0.000000 14 H 2.460762 3.772267 4.770403 0.000000 15 H 4.771524 6.068777 6.951377 2.469381 0.000000 16 H 4.013977 5.181664 5.915847 2.463593 1.756217 17 N 4.724087 5.653790 5.766182 3.989670 4.084171 18 H 4.839821 6.059162 6.643747 3.039586 1.761866 19 H 4.402590 5.659830 6.508765 2.278234 2.502411 20 C 5.728133 6.511371 6.409711 5.219692 5.279775 21 H 2.034101 1.075097 2.029030 4.284167 6.611087 22 C 4.960912 4.523534 3.409171 6.645685 8.306674 23 H 4.855393 4.670622 3.765361 6.223797 7.782991 24 N 6.278947 5.755048 4.553848 7.976016 9.558746 25 C 6.893134 6.165035 4.872095 8.813717 10.455544 26 C 7.311743 6.943665 5.821212 8.740717 10.132666 27 H 7.951705 7.227920 5.930739 9.832015 11.425098 28 H 6.671628 5.780238 4.461516 8.780004 10.609984 29 H 6.805600 6.115251 4.866044 8.685322 10.199378 30 H 8.063623 7.602629 6.442078 9.579813 11.069698 31 H 7.895415 7.581425 6.467031 9.224117 10.424166 32 H 7.022491 6.820700 5.828105 8.221181 9.531828 33 N 6.975007 7.816305 7.742449 6.186005 5.779334 34 H 5.796057 6.387335 6.081227 5.719290 6.139350 35 C 8.106296 8.834705 8.607813 7.501179 7.199981 36 C 7.365310 8.369766 8.498280 6.108364 5.141057 37 H 8.992821 9.757160 9.550280 8.255368 7.681421 38 H 8.358177 9.092429 8.889882 7.709420 7.506757 39 H 8.078233 8.663673 8.281078 7.798013 7.746133 40 H 8.444118 9.437677 9.531199 7.156102 6.029276 41 H 7.064610 8.093538 8.279954 5.757651 4.586793 42 H 7.147456 8.229378 8.480948 5.665818 4.665595 16 17 18 19 20 16 H 0.000000 17 N 3.606021 0.000000 18 H 1.766462 2.535663 0.000000 19 H 3.601932 3.963368 3.000996 0.000000 20 C 4.821156 1.274427 3.656091 5.007387 0.000000 21 H 5.806855 6.651773 6.831120 6.220095 7.553232 22 C 7.243428 5.320464 7.293602 7.699798 5.241829 23 H 6.882257 4.569920 6.702884 6.999929 4.406130 24 N 8.452122 6.344615 8.449023 8.973825 6.062248 25 C 9.204194 7.479504 9.415913 10.052390 7.278959 26 C 9.133581 6.537492 8.868683 9.438048 5.982086 27 H 10.185648 8.270641 10.315953 10.981582 7.941315 28 H 9.386418 7.923491 9.723995 10.123297 7.856425 29 H 8.824426 7.347091 9.144777 10.058985 7.203416 30 H 10.120567 7.498497 9.846616 10.229388 6.923104 31 H 9.340146 6.717951 9.053358 9.936959 6.063182 32 H 8.673981 5.824195 8.239734 8.698467 5.194605 33 N 5.513911 2.292732 4.099653 5.644317 1.337317 34 H 5.554501 2.061929 4.581973 5.674838 1.079928 35 C 6.951779 3.593307 5.542280 6.859825 2.409185 36 C 5.159495 2.739020 3.546912 5.308442 2.404297 37 H 7.460171 4.358322 6.008367 7.558518 3.266969 38 H 7.454215 4.017834 5.963025 6.821374 2.902626 39 H 7.287200 3.857434 6.057453 7.414187 2.589207 40 H 6.109184 3.793119 4.496351 6.244194 3.286982 41 H 4.428441 2.672378 2.945667 5.246152 2.684822 42 H 5.020426 2.805644 3.283706 4.525926 2.747044 21 22 23 24 25 21 H 0.000000 22 C 5.408255 0.000000 23 H 5.632536 1.080352 0.000000 24 N 6.572217 1.343467 2.042715 0.000000 25 C 6.843198 2.408719 3.360126 1.450543 0.000000 26 C 7.816968 2.430954 2.557423 1.444261 2.492466 27 H 7.892586 3.290975 4.110334 2.068686 1.081619 28 H 6.326514 2.690915 3.704739 2.090513 1.081189 29 H 6.800365 2.752688 3.727888 2.102079 1.084178 30 H 8.407376 3.190984 3.357680 2.092476 2.797045 31 H 8.483374 3.102236 3.264165 2.099850 2.786307 32 H 7.750159 2.523027 2.174008 2.080474 3.399395 33 N 8.847532 6.431682 5.585690 7.123820 8.342254 34 H 7.453567 4.417772 3.547567 5.124874 6.392438 35 C 9.887837 6.777131 5.899713 7.240628 8.498729 36 C 9.342983 7.633987 6.810056 8.426425 9.608113 37 H 10.808389 7.717290 6.886859 8.121931 9.323653 38 H 10.126613 7.054548 6.090461 7.523135 8.861700 39 H 9.734004 6.112083 5.297831 6.426498 7.649459 40 H 10.417241 8.477062 7.646565 9.172716 10.355589 41 H 9.039511 7.679502 6.960624 8.520679 9.599653 42 H 9.156667 7.884549 7.004050 8.774307 10.007426 26 27 28 29 30 26 C 0.000000 27 H 2.520254 0.000000 28 H 3.281259 1.763130 0.000000 29 H 3.131375 1.764954 1.752225 0.000000 30 H 1.084707 2.496744 3.417822 3.645487 0.000000 31 H 1.086411 2.635019 3.771624 3.132895 1.759215 32 H 1.081848 3.574347 4.089095 3.981287 1.754095 33 N 6.857220 8.915862 9.000285 8.247518 7.766419 34 H 4.939817 6.994464 7.011716 6.398983 5.863794 35 C 6.686554 8.914785 9.247320 8.493649 7.495456 36 C 8.256492 10.239468 10.220969 9.450110 9.181855 37 H 7.525197 9.698284 10.121466 9.253968 8.332853 38 H 6.893163 9.253895 9.560071 8.979315 7.600603 39 H 5.780817 7.994244 8.457009 7.651617 6.586077 40 H 8.877605 10.918085 11.029589 10.193330 9.776958 41 H 8.496077 10.286423 10.194632 9.330566 9.481180 42 H 8.654569 10.682910 10.536167 9.920231 9.540412 31 32 33 34 35 31 H 0.000000 32 H 1.754969 0.000000 33 N 6.811496 6.038018 0.000000 34 H 5.038710 4.129387 2.045462 0.000000 35 C 6.554862 5.823362 1.449903 2.537580 0.000000 36 C 8.217034 7.448463 1.452042 3.361813 2.511354 37 H 7.281194 6.713568 2.076096 3.516386 1.080685 38 H 6.882633 5.935185 2.118355 2.949556 1.086993 39 H 5.565795 4.972064 2.085821 2.294800 1.082434 40 H 8.755653 8.061683 2.071604 4.115689 2.558692 41 H 8.416486 7.781816 2.085892 3.700515 3.310789 42 H 8.740250 7.788516 2.105229 3.726890 3.123810 36 37 38 39 40 36 C 0.000000 37 H 2.642976 0.000000 38 H 2.999472 1.757197 0.000000 39 H 3.379413 1.748160 1.762563 0.000000 40 H 1.080555 2.253587 3.019930 3.514904 0.000000 41 H 1.080859 3.387154 3.965771 4.001941 1.760711 42 H 1.084193 3.398290 3.278861 4.052722 1.764647 41 42 41 H 0.000000 42 H 1.754003 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.481663 -2.258875 0.172564 2 6 0 3.481280 -2.098475 -0.962429 3 8 0 3.018284 -1.883640 1.411595 4 7 0 -3.247361 -0.375756 -0.243394 5 6 0 -2.224163 -1.289389 -0.099064 6 6 0 -0.865162 -0.972516 -0.089598 7 7 0 -0.156643 0.213473 -0.188405 8 6 0 1.085156 -0.132314 -0.138319 9 7 0 1.269538 -1.497283 -0.028621 10 6 0 0.012426 -2.038496 0.014393 11 7 0 -0.315662 -3.310957 0.111955 12 6 0 -1.622280 -3.483878 0.096117 13 7 0 -2.568891 -2.571257 -0.006026 14 1 0 2.142868 -3.284003 0.213220 15 1 0 4.336674 -2.744430 -0.783735 16 1 0 3.031233 -2.391835 -1.904359 17 7 0 2.187162 0.682004 -0.218403 18 1 0 3.823187 -1.077121 -1.029873 19 1 0 3.730499 -2.467010 1.628246 20 6 0 1.996304 1.927944 -0.030331 21 1 0 -1.964889 -4.500048 0.172603 22 6 0 -3.111626 0.784664 0.250261 23 1 0 -2.244831 1.088246 0.819177 24 7 0 -4.060379 1.729050 0.136650 25 6 0 -5.239568 1.450674 -0.660905 26 6 0 -3.839720 3.076255 0.608072 27 1 0 -5.917589 2.289665 -0.581641 28 1 0 -5.734887 0.558007 -0.304854 29 1 0 -4.981905 1.298636 -1.702988 30 1 0 -4.645414 3.393855 1.261200 31 1 0 -3.774396 3.778887 -0.217960 32 1 0 -2.914299 3.127309 1.166090 33 7 0 2.971118 2.835483 -0.150863 34 1 0 1.028652 2.325651 0.237483 35 6 0 2.746221 4.192268 0.308239 36 6 0 4.320485 2.385249 -0.442277 37 1 0 3.425991 4.860516 -0.200916 38 1 0 2.900176 4.299050 1.378963 39 1 0 1.736656 4.502118 0.070677 40 1 0 4.958279 3.248746 -0.565530 41 1 0 4.328328 1.806620 -1.355175 42 1 0 4.711115 1.764285 0.356026 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3222109 0.1998099 0.1283400 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1831.7964634713 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.87D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.002233 -0.000581 0.000705 Ang= -0.28 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37783045 A.U. after 14 cycles NFock= 14 Conv=0.48D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000953081 0.000074278 -0.000073439 2 6 0.000217338 -0.000905218 0.000070136 3 8 -0.001709384 0.001737429 0.000849593 4 7 0.002201751 0.003072202 -0.000115542 5 6 -0.002815470 -0.001068129 -0.000363400 6 6 0.002769801 0.000107265 -0.000053831 7 7 0.000778309 -0.000797464 0.000569387 8 6 0.001901550 0.000046211 0.001282838 9 7 -0.001767591 -0.000509562 0.000198507 10 6 -0.001354075 0.000514436 -0.000903691 11 7 -0.000667353 -0.001535562 0.000705766 12 6 0.000241416 0.003167898 -0.001555247 13 7 0.000097779 -0.000669729 0.001191553 14 1 0.000588703 -0.000250586 0.000021691 15 1 0.000419724 0.000073387 0.000023039 16 1 0.000006425 0.000039197 -0.000175883 17 7 -0.000890899 -0.000788753 -0.000279861 18 1 0.000029247 0.000110320 0.000013423 19 1 0.001630933 -0.001059363 0.000080422 20 6 0.000197420 0.000623270 -0.000635378 21 1 0.000428730 -0.000114861 -0.000054713 22 6 -0.002580263 -0.003666253 -0.002215841 23 1 -0.000372265 0.001562880 0.000130370 24 7 0.001338931 -0.000174072 0.001032431 25 6 -0.000230496 -0.000040902 -0.000439197 26 6 0.000095640 0.000493407 0.000648529 27 1 -0.000340893 0.000113688 -0.000181808 28 1 0.000344455 -0.000460565 0.000105875 29 1 -0.000306190 -0.000058629 0.000188189 30 1 0.000058117 0.000346625 -0.000256679 31 1 -0.000200881 -0.000050019 0.000282702 32 1 0.000513776 0.000265141 -0.000173194 33 7 -0.000573782 0.000681529 0.000080316 34 1 0.000322523 0.000095625 0.000576249 35 6 0.000775436 -0.000521912 0.000182480 36 6 -0.000163562 -0.000322930 -0.000874939 37 1 -0.000462013 0.000328450 0.000576216 38 1 0.000300873 -0.000474301 0.000211058 39 1 0.000328753 0.000137788 -0.000666114 40 1 -0.000148311 -0.000107881 0.000296420 41 1 0.000055431 0.000226618 -0.000068197 42 1 -0.000106550 -0.000240953 -0.000230236 ------------------------------------------------------------------- Cartesian Forces: Max 0.003666253 RMS 0.000955837 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003450487 RMS 0.000661195 Search for a local minimum. Step number 10 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 9 10 DE= -9.42D-04 DEPred=-3.54D-04 R= 2.66D+00 TightC=F SS= 1.41D+00 RLast= 4.12D-01 DXNew= 2.5640D+00 1.2353D+00 Trust test= 2.66D+00 RLast= 4.12D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00154 0.00244 0.00607 0.01055 0.01191 Eigenvalues --- 0.01202 0.01237 0.01254 0.01466 0.01527 Eigenvalues --- 0.01614 0.01862 0.02123 0.02143 0.02204 Eigenvalues --- 0.02327 0.02347 0.02529 0.02588 0.02595 Eigenvalues --- 0.02706 0.02753 0.02811 0.02968 0.03384 Eigenvalues --- 0.03482 0.05254 0.05475 0.05691 0.05769 Eigenvalues --- 0.06477 0.07375 0.07408 0.07560 0.07569 Eigenvalues --- 0.07619 0.07729 0.07783 0.07789 0.08398 Eigenvalues --- 0.15625 0.15865 0.15913 0.15975 0.15999 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16002 0.16004 Eigenvalues --- 0.16010 0.16116 0.16272 0.17011 0.18368 Eigenvalues --- 0.20686 0.22038 0.22290 0.23185 0.23574 Eigenvalues --- 0.24026 0.24316 0.24564 0.24720 0.24840 Eigenvalues --- 0.24941 0.24980 0.25703 0.26209 0.26787 Eigenvalues --- 0.27737 0.32775 0.32844 0.33171 0.33313 Eigenvalues --- 0.33342 0.33502 0.33514 0.33581 0.33590 Eigenvalues --- 0.33618 0.33644 0.33676 0.33684 0.33716 Eigenvalues --- 0.33789 0.33922 0.35507 0.36477 0.37319 Eigenvalues --- 0.37638 0.39072 0.39730 0.39801 0.39961 Eigenvalues --- 0.40023 0.40343 0.40787 0.41885 0.42947 Eigenvalues --- 0.46355 0.47521 0.48499 0.49645 0.50426 Eigenvalues --- 0.53078 0.54970 0.59271 0.59952 0.65956 Eigenvalues --- 0.67184 0.70969 0.74571 0.77281 0.88295 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 7 6 RFO step: Lambda=-1.00402501D-03. DidBck=F Rises=F RFO-DIIS coefs: 1.47192 0.71415 -0.99377 -1.46927 1.27697 Iteration 1 RMS(Cart)= 0.08913245 RMS(Int)= 0.00734653 Iteration 2 RMS(Cart)= 0.00848503 RMS(Int)= 0.00017752 Iteration 3 RMS(Cart)= 0.00011742 RMS(Int)= 0.00015414 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00015414 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87411 0.00016 0.00145 0.00012 0.00157 2.87568 R2 2.64829 -0.00107 0.00051 0.00102 0.00153 2.64982 R3 2.73178 0.00043 0.00538 -0.00636 -0.00098 2.73080 R4 2.04171 0.00030 0.00357 -0.00269 0.00088 2.04260 R5 2.05354 0.00033 0.00248 -0.00012 0.00235 2.05589 R6 2.04914 -0.00006 0.00212 -0.00079 0.00134 2.05048 R7 2.03934 -0.00008 0.00042 0.00007 0.00049 2.03983 R8 1.78727 0.00194 -0.00217 0.00487 0.00270 1.78997 R9 2.60651 0.00025 0.00304 -0.00078 0.00227 2.60878 R10 2.39682 0.00245 -0.00930 0.00894 -0.00036 2.39646 R11 2.63709 0.00159 0.01385 -0.00902 0.00482 2.64191 R12 2.51460 0.00039 -0.02263 0.01122 -0.01143 2.50317 R13 2.61734 0.00049 -0.00480 0.00274 -0.00209 2.61526 R14 2.61663 -0.00108 -0.01639 0.00702 -0.00934 2.60729 R15 2.43778 -0.00019 -0.00092 -0.00160 -0.00256 2.43521 R16 2.61109 -0.00162 0.00403 -0.00888 -0.00486 2.60622 R17 2.59378 -0.00004 0.00237 -0.00390 -0.00153 2.59225 R18 2.58768 0.00162 -0.00086 0.00089 0.00007 2.58775 R19 2.49008 0.00002 0.01448 -0.01140 0.00309 2.49317 R20 2.49086 0.00176 -0.02257 0.01359 -0.00897 2.48189 R21 2.49228 -0.00042 0.00848 -0.00253 0.00595 2.49823 R22 2.03164 0.00028 -0.00164 0.00161 -0.00004 2.03160 R23 2.40832 -0.00061 -0.00045 -0.00279 -0.00324 2.40508 R24 2.52716 -0.00003 0.00229 -0.00067 0.00162 2.52878 R25 2.04077 -0.00050 -0.00199 -0.00128 -0.00327 2.03750 R26 2.04157 -0.00159 0.00109 -0.00493 -0.00384 2.03773 R27 2.53878 -0.00118 0.00441 -0.00366 0.00075 2.53953 R28 2.74113 -0.00039 -0.00333 0.00150 -0.00183 2.73930 R29 2.72926 -0.00104 -0.00231 0.00087 -0.00144 2.72782 R30 2.04396 0.00039 0.00380 -0.00173 0.00207 2.04603 R31 2.04315 -0.00009 0.00134 -0.00163 -0.00029 2.04286 R32 2.04880 0.00010 0.00391 -0.00170 0.00221 2.05101 R33 2.04980 0.00025 0.00467 -0.00216 0.00251 2.05231 R34 2.05302 0.00034 -0.00040 0.00063 0.00024 2.05326 R35 2.04440 -0.00009 0.00334 -0.00198 0.00136 2.04576 R36 2.73992 -0.00073 -0.00519 0.00090 -0.00429 2.73563 R37 2.74396 -0.00047 -0.00308 0.00123 -0.00185 2.74211 R38 2.04220 0.00045 0.00682 -0.00283 0.00399 2.04619 R39 2.05412 0.00013 0.00220 -0.00077 0.00143 2.05555 R40 2.04550 0.00002 0.00030 -0.00061 -0.00031 2.04519 R41 2.04195 0.00030 0.00348 -0.00117 0.00230 2.04425 R42 2.04253 0.00011 0.00306 -0.00182 0.00125 2.04377 R43 2.04883 0.00017 0.00187 -0.00057 0.00130 2.05013 A1 1.96046 -0.00057 -0.00891 0.00481 -0.00410 1.95637 A2 1.97325 0.00123 0.01105 -0.00919 0.00184 1.97509 A3 1.91160 -0.00045 -0.00075 -0.00049 -0.00114 1.91046 A4 1.87869 -0.00050 -0.01437 0.01173 -0.00268 1.87601 A5 1.91862 0.00031 -0.00390 0.00705 0.00322 1.92184 A6 1.81540 0.00004 0.01840 -0.01485 0.00354 1.81894 A7 1.90917 -0.00003 -0.00654 0.00412 -0.00242 1.90675 A8 1.92509 -0.00030 -0.00153 0.00268 0.00114 1.92623 A9 1.93337 0.00013 0.01134 -0.00902 0.00232 1.93569 A10 1.88465 0.00003 -0.00055 -0.00115 -0.00170 1.88295 A11 1.90019 0.00010 -0.00175 0.00369 0.00195 1.90214 A12 1.91054 0.00006 -0.00131 -0.00008 -0.00139 1.90915 A13 1.90257 0.00015 -0.00758 0.01237 0.00479 1.90737 A14 2.07820 0.00197 -0.00106 0.00668 0.00562 2.08382 A15 2.18062 0.00345 -0.02041 0.01859 -0.00183 2.17880 A16 2.04118 -0.00248 0.01063 -0.00788 0.00277 2.04395 A17 2.06072 -0.00099 0.00968 -0.01138 -0.00168 2.05904 A18 2.33523 0.00043 0.00362 -0.00466 -0.00104 2.33419 A19 2.02965 0.00057 -0.00096 0.00262 0.00168 2.03133 A20 1.91809 -0.00100 -0.00273 0.00199 -0.00072 1.91736 A21 1.83396 0.00108 0.00527 -0.00422 0.00096 1.83492 A22 1.97832 -0.00048 -0.00569 0.00457 -0.00098 1.97734 A23 2.22885 -0.00100 -0.00645 -0.00035 -0.00660 2.22225 A24 2.07553 0.00150 0.01211 -0.00446 0.00784 2.08337 A25 2.26971 -0.00052 0.01841 -0.01966 -0.00142 2.26829 A26 2.16178 0.00040 -0.00972 0.01396 0.00401 2.16578 A27 1.84464 0.00010 -0.00487 0.00393 -0.00109 1.84355 A28 1.84961 0.00030 0.00792 -0.00629 0.00170 1.85131 A29 2.20331 -0.00018 -0.01324 0.01001 -0.00322 2.20009 A30 2.23011 -0.00012 0.00524 -0.00374 0.00143 2.23154 A31 1.95262 0.00074 0.01138 -0.00661 0.00484 1.95746 A32 2.24164 -0.00136 0.00100 -0.00612 -0.00541 2.23623 A33 2.02533 0.00033 0.01500 -0.01204 0.00261 2.02794 A34 2.01621 0.00103 -0.01498 0.01809 0.00275 2.01896 A35 2.07839 0.00121 -0.00772 0.01140 0.00372 2.08211 A36 2.03887 -0.00161 0.01242 -0.01928 -0.00686 2.03201 A37 2.14241 0.00010 -0.00233 0.00163 -0.00072 2.14169 A38 2.13037 -0.00016 -0.00113 -0.00143 -0.00259 2.12779 A39 2.01040 0.00006 0.00346 -0.00023 0.00320 2.01360 A40 2.15067 0.00107 -0.00334 0.00331 -0.00002 2.15064 A41 2.13488 -0.00160 -0.00149 0.00074 -0.00075 2.13414 A42 1.99720 0.00055 0.00477 -0.00370 0.00107 1.99828 A43 2.07794 0.00051 -0.00078 0.00191 0.00190 2.07984 A44 2.11789 0.00011 0.00084 -0.00069 0.00097 2.11887 A45 2.07452 -0.00060 0.00008 -0.00069 0.00011 2.07463 A46 1.89699 0.00017 0.00899 -0.00784 0.00114 1.89812 A47 1.92816 -0.00072 -0.00732 0.00201 -0.00528 1.92288 A48 1.94142 0.00005 -0.00570 0.00628 0.00060 1.94202 A49 1.90616 0.00029 0.00006 0.00123 0.00128 1.90745 A50 1.90518 -0.00007 0.00037 -0.00108 -0.00073 1.90445 A51 1.88559 0.00029 0.00357 -0.00060 0.00303 1.88863 A52 1.93497 -0.00043 0.00652 -0.00467 0.00183 1.93680 A53 1.94367 0.00035 -0.01777 0.01446 -0.00329 1.94038 A54 1.92098 -0.00077 0.00579 -0.00735 -0.00162 1.91936 A55 1.88926 0.00017 0.00229 -0.00083 0.00152 1.89078 A56 1.88702 0.00040 0.00385 -0.00202 0.00174 1.88876 A57 1.88623 0.00031 -0.00021 0.00019 -0.00004 1.88618 A58 2.08683 0.00079 0.00690 0.00147 0.00855 2.09539 A59 2.07722 0.00017 -0.00068 -0.00082 -0.00119 2.07604 A60 2.09191 -0.00099 -0.01510 -0.00174 -0.01642 2.07549 A61 1.90910 0.00022 0.00920 -0.00559 0.00363 1.91273 A62 1.96261 -0.00028 -0.00813 0.00557 -0.00259 1.96001 A63 1.92095 -0.00034 -0.01260 0.00579 -0.00681 1.91414 A64 1.89047 0.00013 0.00554 -0.00183 0.00371 1.89417 A65 1.88206 0.00012 0.00289 -0.00132 0.00162 1.88369 A66 1.89670 0.00017 0.00378 -0.00298 0.00073 1.89742 A67 1.90035 0.00010 0.00444 -0.00567 -0.00124 1.89911 A68 1.92010 -0.00022 -0.00350 0.00253 -0.00095 1.91914 A69 1.94404 -0.00016 -0.00759 0.00704 -0.00055 1.94349 A70 1.90412 0.00005 0.00165 -0.00113 0.00051 1.90463 A71 1.90606 0.00002 0.00024 -0.00087 -0.00064 1.90541 A72 1.88879 0.00021 0.00489 -0.00200 0.00291 1.89170 D1 1.07679 0.00011 0.03295 0.00582 0.03874 1.11553 D2 -3.13594 -0.00006 0.02734 0.00855 0.03587 -3.10008 D3 -1.01789 -0.00009 0.03221 0.00425 0.03643 -0.98147 D4 -3.07596 -0.00007 0.01540 0.01807 0.03347 -3.04249 D5 -1.00551 -0.00023 0.00979 0.02081 0.03059 -0.97491 D6 1.11254 -0.00026 0.01466 0.01650 0.03116 1.14370 D7 -1.06041 0.00042 0.04431 -0.00612 0.03822 -1.02219 D8 1.01004 0.00026 0.03870 -0.00338 0.03535 1.04539 D9 3.12809 0.00023 0.04356 -0.00769 0.03591 -3.11918 D10 -1.11793 0.00056 0.01194 -0.00441 0.00753 -1.11039 D11 2.98197 -0.00026 0.01435 -0.00446 0.00989 2.99185 D12 1.01530 -0.00019 0.00225 0.00330 0.00555 1.02085 D13 -1.08685 -0.00011 0.10999 -0.05957 0.05045 -1.03640 D14 2.20102 0.00003 0.07606 -0.04181 0.03412 2.23514 D15 1.08877 -0.00038 0.09540 -0.05100 0.04448 1.13324 D16 -1.90655 -0.00023 0.06146 -0.03324 0.02815 -1.87840 D17 3.12412 -0.00023 0.09350 -0.04497 0.04866 -3.11041 D18 0.12880 -0.00008 0.05957 -0.02721 0.03232 0.16113 D19 -0.59609 -0.00059 -0.02816 0.00596 -0.02223 -0.61833 D20 2.58536 -0.00002 -0.03075 0.02676 -0.00397 2.58139 D21 -0.04527 -0.00017 0.00186 0.00433 0.00621 -0.03906 D22 3.12967 -0.00065 -0.00020 -0.00870 -0.00892 3.12075 D23 0.01768 0.00025 -0.00464 0.01351 0.00903 0.02671 D24 -3.09887 0.00031 -0.00226 0.01589 0.01377 -3.08510 D25 3.11900 -0.00035 -0.00198 -0.00742 -0.00929 3.10971 D26 0.00245 -0.00029 0.00040 -0.00504 -0.00455 -0.00210 D27 3.10934 -0.00008 -0.00255 -0.00700 -0.00920 3.10014 D28 0.00478 0.00034 -0.00378 0.01162 0.00779 0.01256 D29 -3.12312 0.00007 -0.00116 0.00212 0.00093 -3.12219 D30 -0.00540 0.00003 -0.00346 -0.00013 -0.00356 -0.00896 D31 3.11686 -0.00011 -0.00149 -0.00238 -0.00386 3.11300 D32 -0.00724 0.00003 0.00213 -0.00125 0.00090 -0.00634 D33 -0.00551 -0.00008 0.00030 -0.00045 -0.00020 -0.00572 D34 -3.12961 0.00006 0.00392 0.00067 0.00456 -3.12506 D35 0.01469 0.00004 0.00538 0.00077 0.00612 0.02081 D36 3.12208 0.00067 0.02475 -0.00799 0.01704 3.13912 D37 -3.03394 0.00001 -0.03360 0.01308 -0.02073 -3.05467 D38 -0.01840 -0.00009 -0.00517 -0.00114 -0.00634 -0.02475 D39 0.13856 -0.00051 -0.05134 0.02093 -0.03040 0.10817 D40 -3.12908 -0.00060 -0.02292 0.00670 -0.01601 3.13810 D41 0.29093 -0.00015 0.07892 -0.00626 0.07274 0.36367 D42 -2.88654 0.00048 0.09943 -0.01528 0.08407 -2.80247 D43 3.03895 -0.00006 0.03199 -0.01525 0.01651 3.05546 D44 -0.12049 -0.00021 0.02804 -0.01622 0.01157 -0.10892 D45 0.01352 0.00011 0.00279 0.00087 0.00366 0.01718 D46 3.13727 -0.00004 -0.00116 -0.00010 -0.00128 3.13599 D47 0.00384 0.00018 -0.00115 0.00064 -0.00044 0.00340 D48 -3.11647 0.00035 0.00327 0.00199 0.00537 -3.11111 D49 0.00475 -0.00015 -0.00286 0.00698 0.00408 0.00882 D50 -3.14115 -0.00006 0.01121 -0.01520 -0.00398 3.13805 D51 -0.00923 -0.00011 0.00550 -0.01363 -0.00811 -0.01734 D52 3.13664 -0.00020 -0.00862 0.00852 -0.00009 3.13656 D53 -3.07782 0.00048 0.01172 0.01129 0.02299 -3.05483 D54 0.06180 -0.00004 0.01314 -0.00518 0.00797 0.06978 D55 -2.94818 0.00000 0.02611 0.00495 0.03140 -2.91678 D56 -0.05537 -0.00025 -0.00837 -0.00016 -0.00890 -0.06427 D57 0.19525 0.00050 0.02477 0.02038 0.04552 0.24077 D58 3.08806 0.00025 -0.00970 0.01527 0.00522 3.09328 D59 -0.08171 0.00034 0.00624 0.01449 0.02100 -0.06071 D60 -3.04985 0.00026 -0.01105 0.01100 -0.00034 -3.05019 D61 3.09053 -0.00012 0.00441 0.00240 0.00710 3.09763 D62 0.12238 -0.00020 -0.01288 -0.00109 -0.01424 0.10814 D63 3.07343 -0.00032 -0.07144 -0.01328 -0.08451 2.98892 D64 0.98229 -0.00035 -0.07269 -0.01110 -0.08360 0.89869 D65 -1.11173 -0.00027 -0.06875 -0.01580 -0.08430 -1.19603 D66 -0.23726 -0.00017 -0.05353 -0.00988 -0.06363 -0.30089 D67 -2.32840 -0.00020 -0.05478 -0.00770 -0.06273 -2.39113 D68 1.86077 -0.00012 -0.05084 -0.01240 -0.06343 1.79734 D69 -2.23855 0.00013 0.05814 -0.00745 0.05063 -2.18793 D70 1.93991 -0.00003 0.06263 -0.01298 0.04968 1.98959 D71 -0.15161 -0.00014 0.07057 -0.01769 0.05291 -0.09870 D72 1.07615 -0.00006 0.04042 -0.01119 0.02918 1.10533 D73 -1.02856 -0.00022 0.04491 -0.01672 0.02823 -1.00034 D74 -3.12009 -0.00033 0.05285 -0.02143 0.03146 -3.08863 D75 -2.74514 0.00060 0.13310 0.03385 0.16695 -2.57818 D76 1.43692 0.00046 0.12510 0.03637 0.16147 1.59839 D77 -0.68036 0.00067 0.13482 0.03231 0.16705 -0.51331 D78 0.64735 0.00068 0.16614 0.03886 0.20505 0.85240 D79 -1.45378 0.00054 0.15814 0.04138 0.19957 -1.25421 D80 2.71212 0.00075 0.16786 0.03732 0.20515 2.91728 D81 3.08015 -0.00019 0.00031 -0.01238 -0.01232 3.06783 D82 0.99429 -0.00019 -0.00234 -0.00904 -0.01163 0.98267 D83 -1.10010 -0.00020 -0.00129 -0.01277 -0.01428 -1.11438 D84 -0.31095 -0.00018 -0.03176 -0.01704 -0.04857 -0.35952 D85 -2.39681 -0.00017 -0.03440 -0.01370 -0.04787 -2.44468 D86 1.79198 -0.00019 -0.03335 -0.01742 -0.05052 1.74146 Item Value Threshold Converged? Maximum Force 0.003450 0.000450 NO RMS Force 0.000661 0.000300 NO Maximum Displacement 0.684720 0.001800 NO RMS Displacement 0.090777 0.001200 NO Predicted change in Energy=-6.075400D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.949720 -4.939362 2.066094 2 6 0 7.131285 -5.264619 3.541540 3 8 0 6.860887 -6.095872 1.278171 4 7 0 2.986800 -0.809263 0.119951 5 6 0 4.228488 -1.389591 0.284969 6 6 0 4.465429 -2.590108 0.961081 7 7 0 3.646903 -3.510662 1.591852 8 6 0 4.445928 -4.408875 2.055979 9 7 0 5.774543 -4.141517 1.800303 10 6 0 5.784607 -2.975934 1.081616 11 7 0 6.830741 -2.322021 0.614039 12 6 0 6.487353 -1.214780 -0.003226 13 7 0 5.273586 -0.721608 -0.179999 14 1 0 7.771058 -4.322520 1.729578 15 1 0 8.080790 -5.776864 3.681688 16 1 0 7.154699 -4.352723 4.129132 17 7 0 4.110613 -5.533260 2.766641 18 1 0 6.333956 -5.899525 3.896976 19 1 0 7.677096 -6.573634 1.330701 20 6 0 2.909468 -5.938244 2.652443 21 1 0 7.292124 -0.627905 -0.407842 22 6 0 1.970751 -1.549756 -0.045968 23 1 0 2.026135 -2.625250 -0.100883 24 7 0 0.732397 -1.047646 -0.188556 25 6 0 0.533290 0.383817 -0.076605 26 6 0 -0.423998 -1.908259 -0.264613 27 1 0 -0.482308 0.617999 -0.369839 28 1 0 1.221902 0.907789 -0.724605 29 1 0 0.697489 0.725829 0.940276 30 1 0 -1.001589 -1.704819 -1.161540 31 1 0 -1.071697 -1.772421 0.597126 32 1 0 -0.112493 -2.944719 -0.290492 33 7 0 2.420945 -6.962026 3.362321 34 1 0 2.209541 -5.464714 1.982825 35 6 0 1.151439 -7.555582 2.999441 36 6 0 3.311741 -7.694453 4.243010 37 1 0 0.649308 -7.911718 3.890214 38 1 0 1.267563 -8.389858 2.311184 39 1 0 0.519221 -6.809000 2.536601 40 1 0 2.736123 -8.431049 4.787364 41 1 0 3.775184 -7.016254 4.946537 42 1 0 4.094985 -8.196022 3.684511 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521742 0.000000 3 O 1.402224 2.426301 0.000000 4 N 6.045653 6.980990 6.655694 0.000000 5 C 4.814393 5.835009 5.483161 1.380508 0.000000 6 C 3.593292 4.573682 4.257834 2.462774 1.398038 7 N 3.629696 4.361028 4.136593 3.146392 2.558345 8 C 2.559393 3.185959 3.046797 4.339869 3.507112 9 N 1.445075 2.476694 2.296142 4.658220 3.501374 10 C 2.486309 3.619785 3.306211 3.667014 2.360643 11 N 2.995512 4.161667 3.831962 4.160342 2.783781 12 C 4.285834 5.420444 5.060293 3.526115 2.283874 13 N 5.063971 6.159533 5.790380 2.308038 1.324622 14 H 1.080895 2.140109 2.043761 6.150041 4.820661 15 H 2.142633 1.087932 2.714190 7.956869 6.754709 16 H 2.154597 1.085065 3.354531 6.782406 5.667491 17 N 2.983959 3.130031 3.177434 5.530287 4.831417 18 H 2.157130 1.079433 2.678498 7.167994 6.149723 19 H 1.934095 2.626640 0.947213 7.529460 6.313537 20 C 4.202999 4.366692 4.186547 5.720659 5.294807 21 H 4.982595 6.092832 5.738228 4.341344 3.232029 22 C 6.382817 7.300790 6.806904 1.268154 2.287477 23 H 5.855987 6.804122 6.109160 2.066266 2.554623 24 N 7.673591 8.523042 8.074296 2.287867 3.544546 25 C 8.608017 9.409003 9.157526 2.735286 4.114633 26 C 8.306112 9.101333 8.543175 3.604057 4.713458 27 H 9.594429 10.386091 10.085361 3.783078 5.162441 28 H 8.647836 9.550886 9.211978 2.603154 3.916217 29 H 8.511888 9.167648 9.199851 2.875828 4.168019 30 H 9.170780 10.046631 9.330170 4.283864 5.435574 31 H 8.748172 9.389033 9.059909 4.198425 5.323154 32 H 7.707590 8.516966 7.811433 3.786061 4.646902 33 N 5.126517 5.010051 4.980662 6.977797 6.617352 34 H 4.769929 5.166545 4.746569 5.074215 4.854430 35 C 6.429293 6.426581 6.139326 7.561272 7.406486 36 C 5.056123 4.580946 4.893073 8.031877 7.500520 37 H 7.201216 7.010330 6.978809 8.373985 8.267192 38 H 6.652286 6.757524 6.133087 8.076057 7.866153 39 H 6.713288 6.863993 6.504531 6.922860 6.942515 40 H 6.111595 5.558400 5.897556 8.940873 8.490044 41 H 4.763204 4.038026 4.881145 7.902166 7.320863 42 H 4.623270 4.222876 4.225082 8.276375 7.609351 6 7 8 9 10 6 C 0.000000 7 N 1.383935 0.000000 8 C 2.122992 1.288659 0.000000 9 N 2.196575 2.228965 1.379155 0.000000 10 C 1.379718 2.261870 2.189695 1.369379 0.000000 11 N 2.405621 3.536356 3.481592 2.415232 1.319328 12 C 2.628610 3.985411 4.313929 3.510927 2.184581 13 N 2.333768 3.682984 4.390962 3.983508 2.633401 14 H 3.810384 4.205561 3.342228 2.005951 2.485787 15 H 5.534253 5.400226 4.210291 3.395990 4.458480 16 H 4.513926 4.410384 3.411533 2.715305 3.613870 17 N 3.471035 2.384546 1.371758 2.374746 3.490199 18 H 4.802407 4.270892 3.029185 2.792771 4.095781 19 H 5.130292 5.068772 3.956343 3.123367 4.072714 20 C 4.061001 2.749875 2.248432 3.487552 4.416922 21 H 3.703295 5.059318 5.335445 4.418645 3.162962 22 C 2.884423 3.055665 4.326574 4.959312 4.225036 23 H 2.660669 2.505233 3.699834 4.468125 3.955679 24 N 4.199569 4.210777 5.488725 6.241060 5.554859 25 C 5.038129 5.257880 6.544200 7.174411 6.340799 26 C 5.086624 4.752514 5.945957 6.904581 6.441976 27 H 6.045114 6.159907 7.445909 8.155409 7.368670 28 H 5.059377 5.547010 6.811234 7.252393 6.258117 29 H 5.019287 5.203023 6.454515 7.085702 6.292996 30 H 5.931066 5.696553 6.880392 7.786269 7.259473 31 H 5.608997 5.126026 6.286758 7.343790 6.977972 32 H 4.759155 4.242236 5.331873 6.360891 6.054704 33 N 5.390689 4.068101 3.510793 4.652073 5.692519 34 H 3.794252 2.457069 2.474181 3.807020 4.448292 35 C 6.308198 4.956816 4.652477 5.870848 6.790985 36 C 6.177085 4.964381 4.106642 4.965436 6.194667 37 H 7.173711 5.799770 5.481665 6.697027 7.656467 38 H 6.759158 5.475879 5.100525 6.214681 7.157242 39 H 5.987810 4.642626 4.627162 5.939361 6.673356 40 H 7.193575 5.937257 5.153812 6.046041 7.265267 41 H 5.995920 4.853817 3.950146 4.707476 5.941345 42 H 6.243442 5.150980 4.137362 4.775998 6.072825 11 12 13 14 15 11 N 0.000000 12 C 1.313360 0.000000 13 N 2.369926 1.322005 0.000000 14 H 2.476009 3.782665 4.780211 0.000000 15 H 4.786338 6.077026 6.953318 2.453933 0.000000 16 H 4.072417 5.231484 5.940723 2.477634 1.756709 17 N 4.727034 5.654231 5.760832 3.992525 4.081539 18 H 4.880882 6.097700 6.675098 3.041352 1.764320 19 H 4.393874 5.649085 6.504251 2.288110 2.514946 20 C 5.710388 6.493453 6.389449 5.205507 5.275221 21 H 2.031537 1.075078 2.033516 4.295127 6.622539 22 C 4.965029 4.529208 3.407714 6.669659 8.312427 23 H 4.866961 4.679896 3.765109 6.263821 7.803805 24 N 6.281560 5.760364 4.552886 7.996674 9.557362 25 C 6.888864 6.165368 4.868579 8.820272 10.442391 26 C 7.319459 6.950972 5.820461 8.772936 10.142526 27 H 7.943074 7.215931 5.912774 9.845524 11.429602 28 H 6.609291 5.722820 4.400872 8.733304 10.542503 29 H 6.856574 6.178890 4.928565 8.726065 10.213398 30 H 8.054752 7.593818 6.427126 9.600535 11.069238 31 H 7.921546 7.603330 6.478484 9.272528 10.455530 32 H 7.029540 6.828848 5.827888 8.254053 9.535677 33 N 6.966276 7.803423 7.721943 6.185188 5.791412 34 H 5.753746 6.348701 6.046754 5.683240 6.120060 35 C 8.082993 8.814405 8.590933 7.475601 7.186460 36 C 7.376708 8.372645 8.487190 6.129664 5.170692 37 H 8.954784 9.700032 9.468277 8.262567 7.734857 38 H 8.405231 9.169757 9.003125 7.692656 7.424694 39 H 7.979005 8.565314 8.187811 7.708632 7.717114 40 H 8.455931 9.439068 9.515718 7.181966 6.068994 41 H 7.081158 8.094017 8.255249 5.794138 4.655553 42 H 7.170499 8.249883 8.496493 5.686765 4.662507 16 17 18 19 20 16 H 0.000000 17 N 3.537868 0.000000 18 H 1.766384 2.520925 0.000000 19 H 3.610618 3.982977 2.973923 0.000000 20 C 4.766179 1.272714 3.643827 4.988085 0.000000 21 H 5.871736 6.652959 6.873101 6.206643 7.534766 22 C 7.222285 5.325230 7.314701 7.726379 5.236547 23 H 6.868723 4.585222 6.727635 7.040776 4.397386 24 N 8.414982 6.345570 8.462255 9.004083 6.060433 25 C 9.163302 7.476168 9.429606 10.070779 7.284393 26 C 9.094892 6.549186 8.883635 9.483590 5.988488 27 H 10.162318 8.292793 10.351101 11.008510 7.976381 28 H 9.296765 7.875314 9.686673 10.092844 7.817960 29 H 8.812267 7.359430 9.187336 10.106903 7.227325 30 H 10.076093 7.498145 9.848572 10.258470 6.911203 31 H 9.317007 6.760698 9.097565 10.006555 6.117849 32 H 8.621347 5.820758 8.235439 8.744997 5.172456 33 N 5.459385 2.291546 4.089794 5.648491 1.338175 34 H 5.504338 2.057459 4.567694 5.616860 1.078200 35 C 6.897364 3.591753 5.514216 6.806843 2.413889 36 C 5.093962 2.736533 3.532037 5.366013 2.403331 37 H 7.419140 4.347425 6.030272 7.598116 3.245767 38 H 7.366258 4.055925 5.863858 6.733656 2.970307 39 H 7.252518 3.818183 6.040605 7.262559 2.546550 40 H 6.048952 3.790742 4.488408 6.309653 3.286642 41 H 4.379916 2.657768 2.982612 5.338080 2.678514 42 H 4.932594 2.816564 3.214347 4.583021 2.751032 21 22 23 24 25 21 H 0.000000 22 C 5.412742 0.000000 23 H 5.640412 1.078318 0.000000 24 N 6.576799 1.343862 2.042126 0.000000 25 C 6.842159 2.409552 3.359116 1.449574 0.000000 26 C 7.822938 2.431286 2.558131 1.443499 2.491056 27 H 7.873723 3.289613 4.108928 2.069480 1.082713 28 H 6.269473 2.657227 3.676709 2.085831 1.081035 29 H 6.865801 2.787859 3.752205 2.102544 1.085347 30 H 8.397230 3.178577 3.337559 2.094107 2.809865 31 H 8.501375 3.117634 3.288023 2.096986 2.771148 32 H 7.759494 2.519051 2.170654 2.079210 3.397343 33 N 8.835360 6.411846 5.563927 7.102099 8.327717 34 H 7.412331 4.415871 3.526760 5.138807 6.423114 35 C 9.864598 6.783489 5.889420 7.258935 8.536874 36 C 9.349329 7.612547 6.798456 8.394750 9.572738 37 H 10.754265 7.596993 6.765446 7.984908 9.195924 38 H 10.194917 7.268949 6.294776 7.774521 9.122394 39 H 9.630570 6.036244 5.170191 6.376921 7.652821 40 H 10.422876 8.443878 7.622751 9.126299 10.305946 41 H 9.047057 7.619953 6.914950 8.441091 9.513301 42 H 9.178531 7.912123 7.045768 8.798120 10.022241 26 27 28 29 30 26 C 0.000000 27 H 2.529120 0.000000 28 H 3.294041 1.764701 0.000000 29 H 3.106108 1.766338 1.754977 0.000000 30 H 1.086038 2.508371 3.458402 3.634906 0.000000 31 H 1.086536 2.645092 3.767107 3.080426 1.761361 32 H 1.082569 3.582739 4.100108 3.955222 1.756864 33 N 6.840242 8.933906 8.948445 8.242555 7.734164 34 H 4.963354 7.055528 6.993884 6.457246 5.859625 35 C 6.710313 8.990472 9.246736 8.545642 7.495380 36 C 8.231309 10.235724 10.151019 9.415068 9.148207 37 H 7.379438 9.601286 9.970363 9.127523 8.171370 38 H 7.176854 9.559886 9.780815 9.235806 7.867567 39 H 5.723088 8.038083 8.407025 7.704134 6.483964 40 H 8.834909 10.901390 10.949364 10.139256 9.726362 41 H 8.419075 10.230929 10.073310 9.244576 9.398804 42 H 8.692109 10.727364 10.515431 9.933440 9.570528 31 32 33 34 35 31 H 0.000000 32 H 1.755626 0.000000 33 N 6.839360 5.991669 0.000000 34 H 5.130274 4.112199 2.046862 0.000000 35 C 6.645178 5.803553 1.447631 2.554372 0.000000 36 C 8.220551 7.405267 1.451062 3.360806 2.496529 37 H 7.176159 6.536797 2.078289 3.472793 1.082795 38 H 7.224998 6.190541 2.115156 3.090568 1.087749 39 H 5.626696 4.829512 2.078890 2.229564 1.082268 40 H 8.740418 7.999940 2.070776 4.116050 2.544471 41 H 8.361065 7.688816 2.084860 3.693522 3.311510 42 H 8.802795 7.815350 2.104510 3.729702 3.089328 36 37 38 39 40 36 C 0.000000 37 H 2.694479 0.000000 38 H 2.897276 1.761872 0.000000 39 H 3.390284 1.750765 1.763502 0.000000 40 H 1.081772 2.330102 2.879207 3.551285 0.000000 41 H 1.081518 3.418885 3.888449 4.056111 1.762563 42 H 1.084880 3.463500 3.149273 4.003450 1.765794 41 42 41 H 0.000000 42 H 1.756938 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.493011 -2.256058 0.137745 2 6 0 3.490196 -2.060524 -0.994989 3 8 0 3.032732 -1.901778 1.382502 4 7 0 -3.242559 -0.380771 -0.231663 5 6 0 -2.219629 -1.293490 -0.069309 6 6 0 -0.857917 -0.977024 -0.079289 7 7 0 -0.151465 0.206050 -0.207895 8 6 0 1.089943 -0.137010 -0.164799 9 7 0 1.275649 -1.497838 -0.039386 10 6 0 0.018722 -2.036800 0.030266 11 7 0 -0.311473 -3.308593 0.149172 12 6 0 -1.613015 -3.484378 0.150035 13 7 0 -2.560357 -2.568820 0.040522 14 1 0 2.164424 -3.285660 0.154548 15 1 0 4.333747 -2.732118 -0.850147 16 1 0 3.031342 -2.302590 -1.947997 17 7 0 2.183855 0.685803 -0.254544 18 1 0 3.851155 -1.043519 -1.019149 19 1 0 3.757306 -2.477431 1.584561 20 6 0 1.991476 1.915054 0.013284 21 1 0 -1.954657 -4.499700 0.240565 22 6 0 -3.116742 0.786820 0.247000 23 1 0 -2.255625 1.103455 0.813560 24 7 0 -4.065400 1.727662 0.102673 25 6 0 -5.242695 1.428299 -0.688289 26 6 0 -3.857017 3.081800 0.557179 27 1 0 -5.957456 2.232417 -0.566723 28 1 0 -5.688626 0.500993 -0.356796 29 1 0 -4.995304 1.328648 -1.740356 30 1 0 -4.649209 3.391364 1.232515 31 1 0 -3.829115 3.776220 -0.278023 32 1 0 -2.914733 3.153695 1.085279 33 7 0 2.944694 2.843624 -0.127597 34 1 0 1.037207 2.281001 0.356752 35 6 0 2.765197 4.160006 0.447344 36 6 0 4.276320 2.428164 -0.527278 37 1 0 3.258110 4.897633 -0.173453 38 1 0 3.170457 4.229341 1.454397 39 1 0 1.711002 4.402749 0.479789 40 1 0 4.890274 3.308411 -0.663136 41 1 0 4.228415 1.882166 -1.459626 42 1 0 4.731716 1.788183 0.221055 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3223490 0.1997299 0.1284966 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1832.3612132944 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999998 -0.001096 -0.000633 -0.001360 Ang= -0.21 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37845720 A.U. after 14 cycles NFock= 14 Conv=0.92D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001046711 -0.000969841 0.000197377 2 6 0.001204083 -0.000377659 0.000500254 3 8 -0.000284848 0.001206517 0.000479688 4 7 0.003046029 0.002581548 -0.001169821 5 6 -0.005598719 -0.002398131 0.003033098 6 6 -0.000712397 0.000823738 -0.000618934 7 7 -0.001888823 0.000239820 -0.000754821 8 6 0.001427877 -0.000848403 0.000405091 9 7 0.000305499 -0.000722342 0.001028851 10 6 0.001993158 0.001406814 -0.001112874 11 7 0.001721064 -0.004828136 0.002227321 12 6 -0.002807466 0.004984450 -0.001444860 13 7 0.004138084 0.001964190 -0.002092112 14 1 0.000082740 -0.000438908 -0.000351912 15 1 -0.000453739 0.000251071 -0.000088878 16 1 0.000098748 -0.000346494 -0.000454871 17 7 0.000770600 -0.000460336 0.000064429 18 1 0.000313316 0.000406371 -0.000280247 19 1 0.000403146 0.000087483 0.000296708 20 6 -0.000995868 0.000247567 0.001638292 21 1 0.000097421 -0.000049768 -0.000357593 22 6 -0.002438035 -0.001756270 0.000329398 23 1 -0.000276100 -0.000103282 -0.000384790 24 7 0.002090082 -0.000754644 -0.000135870 25 6 -0.000556058 0.000353060 -0.000353925 26 6 -0.000117939 0.000125293 0.000323442 27 1 0.000256885 -0.000081737 0.000021129 28 1 -0.000018480 -0.000259712 0.000504250 29 1 -0.000309968 0.000025117 -0.000366931 30 1 0.000249755 0.000148376 0.000456867 31 1 -0.000149976 -0.000206144 -0.000027206 32 1 0.000057797 0.000672121 -0.000231597 33 7 0.000223788 -0.000256394 -0.001083277 34 1 -0.000577518 -0.000052442 -0.000399405 35 6 -0.000147072 0.000103772 0.000809395 36 6 -0.000092259 -0.000303105 0.000126983 37 1 -0.000179540 0.000134514 -0.000334037 38 1 0.000128521 0.000163563 0.000491201 39 1 0.000156192 -0.000536282 -0.000517582 40 1 0.000116661 0.000358581 0.000039744 41 1 -0.000042907 -0.000355569 -0.000529573 42 1 -0.000187023 -0.000178366 0.000117602 ------------------------------------------------------------------- Cartesian Forces: Max 0.005598719 RMS 0.001276273 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004932545 RMS 0.000724564 Search for a local minimum. Step number 11 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 10 11 DE= -6.27D-04 DEPred=-6.08D-04 R= 1.03D+00 TightC=F SS= 1.41D+00 RLast= 5.48D-01 DXNew= 2.5640D+00 1.6444D+00 Trust test= 1.03D+00 RLast= 5.48D-01 DXMaxT set to 1.64D+00 ITU= 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00153 0.00243 0.00500 0.01030 0.01192 Eigenvalues --- 0.01203 0.01238 0.01254 0.01465 0.01517 Eigenvalues --- 0.01655 0.01909 0.02132 0.02147 0.02206 Eigenvalues --- 0.02327 0.02366 0.02530 0.02586 0.02595 Eigenvalues --- 0.02710 0.02805 0.02832 0.03086 0.03414 Eigenvalues --- 0.03540 0.05267 0.05459 0.05699 0.05877 Eigenvalues --- 0.06499 0.07400 0.07425 0.07566 0.07572 Eigenvalues --- 0.07628 0.07755 0.07796 0.07803 0.08408 Eigenvalues --- 0.15546 0.15843 0.15876 0.15978 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16001 0.16003 0.16010 Eigenvalues --- 0.16025 0.16198 0.16276 0.17017 0.18354 Eigenvalues --- 0.20657 0.22094 0.22355 0.22886 0.23584 Eigenvalues --- 0.23887 0.24108 0.24630 0.24769 0.24903 Eigenvalues --- 0.24971 0.24996 0.26043 0.26201 0.26898 Eigenvalues --- 0.27724 0.32751 0.32804 0.33180 0.33316 Eigenvalues --- 0.33367 0.33500 0.33533 0.33586 0.33598 Eigenvalues --- 0.33619 0.33656 0.33682 0.33686 0.33737 Eigenvalues --- 0.33789 0.34119 0.35760 0.36447 0.37350 Eigenvalues --- 0.37656 0.39073 0.39739 0.39802 0.39890 Eigenvalues --- 0.40042 0.40315 0.40812 0.41869 0.42895 Eigenvalues --- 0.46550 0.47500 0.48570 0.50130 0.51361 Eigenvalues --- 0.53602 0.55142 0.59282 0.59884 0.65559 Eigenvalues --- 0.69003 0.71330 0.74392 0.76701 0.88769 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 7 6 RFO step: Lambda=-5.16345734D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.53929 -0.82075 0.51822 -0.29363 -0.32916 RFO-DIIS coefs: 0.38604 Iteration 1 RMS(Cart)= 0.03898726 RMS(Int)= 0.00140828 Iteration 2 RMS(Cart)= 0.00152594 RMS(Int)= 0.00006044 Iteration 3 RMS(Cart)= 0.00000310 RMS(Int)= 0.00006039 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006039 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87568 -0.00016 0.00091 -0.00070 0.00020 2.87588 R2 2.64982 -0.00151 -0.00116 -0.00127 -0.00243 2.64739 R3 2.73080 0.00041 0.00129 -0.00051 0.00078 2.73158 R4 2.04260 -0.00008 0.00145 -0.00092 0.00053 2.04313 R5 2.05589 -0.00053 0.00143 -0.00190 -0.00046 2.05543 R6 2.05048 -0.00054 0.00067 -0.00134 -0.00067 2.04981 R7 2.03983 -0.00056 0.00041 -0.00078 -0.00037 2.03946 R8 1.78997 0.00032 0.00143 0.00029 0.00172 1.79169 R9 2.60878 -0.00121 0.00051 -0.00243 -0.00192 2.60686 R10 2.39646 0.00203 -0.00071 0.00256 0.00185 2.39832 R11 2.64191 0.00092 0.00420 -0.00345 0.00075 2.64266 R12 2.50317 0.00425 -0.00607 0.00912 0.00305 2.50622 R13 2.61526 0.00129 -0.00115 0.00263 0.00148 2.61674 R14 2.60729 0.00217 -0.00581 0.00635 0.00055 2.60784 R15 2.43521 0.00230 -0.00099 0.00254 0.00154 2.43675 R16 2.60622 0.00080 -0.00168 0.00133 -0.00036 2.60586 R17 2.59225 0.00135 0.00014 0.00185 0.00198 2.59423 R18 2.58775 0.00173 0.00123 0.00164 0.00287 2.59062 R19 2.49317 -0.00013 0.00303 -0.00331 -0.00028 2.49289 R20 2.48189 0.00493 -0.00449 0.00913 0.00464 2.48653 R21 2.49823 -0.00137 0.00127 -0.00272 -0.00145 2.49678 R22 2.03160 0.00018 -0.00020 0.00069 0.00048 2.03209 R23 2.40508 0.00169 -0.00100 0.00175 0.00075 2.40583 R24 2.52878 0.00021 0.00065 0.00048 0.00114 2.52992 R25 2.03750 0.00060 -0.00176 0.00180 0.00004 2.03755 R26 2.03773 0.00011 -0.00225 0.00167 -0.00058 2.03714 R27 2.53953 -0.00140 0.00007 -0.00164 -0.00158 2.53796 R28 2.73930 0.00011 -0.00143 0.00114 -0.00029 2.73900 R29 2.72782 -0.00050 -0.00188 0.00058 -0.00130 2.72652 R30 2.04603 -0.00026 0.00175 -0.00149 0.00026 2.04629 R31 2.04286 -0.00044 0.00023 -0.00134 -0.00111 2.04175 R32 2.05101 -0.00038 0.00134 -0.00136 -0.00001 2.05100 R33 2.05231 -0.00048 0.00182 -0.00185 -0.00003 2.05228 R34 2.05326 0.00004 0.00045 -0.00047 -0.00002 2.05324 R35 2.04576 -0.00062 0.00096 -0.00164 -0.00068 2.04508 R36 2.73563 -0.00002 -0.00261 0.00079 -0.00183 2.73380 R37 2.74211 -0.00003 -0.00151 0.00069 -0.00082 2.74129 R38 2.04619 -0.00024 0.00279 -0.00134 0.00145 2.04764 R39 2.05555 -0.00042 0.00088 -0.00155 -0.00067 2.05488 R40 2.04519 -0.00024 0.00018 -0.00074 -0.00057 2.04462 R41 2.04425 -0.00029 0.00160 -0.00117 0.00043 2.04468 R42 2.04377 -0.00059 0.00115 -0.00197 -0.00082 2.04295 R43 2.05013 -0.00011 0.00085 -0.00064 0.00021 2.05034 A1 1.95637 -0.00022 -0.00451 0.00332 -0.00120 1.95517 A2 1.97509 0.00140 0.00403 0.00092 0.00493 1.98002 A3 1.91046 -0.00045 -0.00092 -0.00197 -0.00289 1.90757 A4 1.87601 -0.00049 -0.00511 0.00581 0.00069 1.87669 A5 1.92184 -0.00001 -0.00016 -0.00341 -0.00355 1.91828 A6 1.81894 -0.00024 0.00743 -0.00533 0.00210 1.82104 A7 1.90675 0.00004 -0.00154 0.00116 -0.00039 1.90637 A8 1.92623 -0.00024 -0.00142 0.00060 -0.00083 1.92540 A9 1.93569 -0.00012 0.00334 -0.00302 0.00033 1.93602 A10 1.88295 0.00006 -0.00076 0.00035 -0.00042 1.88253 A11 1.90214 0.00010 0.00076 0.00044 0.00119 1.90333 A12 1.90915 0.00018 -0.00046 0.00057 0.00011 1.90927 A13 1.90737 -0.00070 -0.00093 -0.00032 -0.00125 1.90611 A14 2.08382 -0.00037 0.00206 -0.00433 -0.00227 2.08155 A15 2.17880 0.00225 0.00026 0.00325 0.00343 2.18222 A16 2.04395 -0.00204 -0.00116 -0.00054 -0.00178 2.04217 A17 2.05904 -0.00019 0.00028 -0.00104 -0.00082 2.05822 A18 2.33419 0.00035 0.00084 -0.00059 0.00024 2.33443 A19 2.03133 -0.00001 0.00095 -0.00092 0.00005 2.03138 A20 1.91736 -0.00034 -0.00185 0.00161 -0.00024 1.91713 A21 1.83492 0.00026 0.00255 -0.00170 0.00083 1.83575 A22 1.97734 -0.00018 -0.00197 0.00111 -0.00085 1.97649 A23 2.22225 -0.00024 -0.00409 0.00166 -0.00239 2.21986 A24 2.08337 0.00043 0.00626 -0.00301 0.00329 2.08666 A25 2.26829 0.00046 0.00149 -0.00230 -0.00081 2.26748 A26 2.16578 -0.00072 0.00006 -0.00041 -0.00036 2.16543 A27 1.84355 0.00024 -0.00099 0.00190 0.00089 1.84444 A28 1.85131 0.00003 0.00217 -0.00280 -0.00062 1.85068 A29 2.20009 0.00058 -0.00402 0.00482 0.00081 2.20090 A30 2.23154 -0.00061 0.00177 -0.00197 -0.00022 2.23133 A31 1.95746 -0.00039 0.00465 -0.00447 0.00019 1.95765 A32 2.23623 0.00008 -0.00302 0.00145 -0.00166 2.23457 A33 2.02794 -0.00001 0.00372 -0.00374 -0.00011 2.02783 A34 2.01896 -0.00006 -0.00043 0.00235 0.00183 2.02079 A35 2.08211 -0.00006 0.00113 0.00037 0.00151 2.08362 A36 2.03201 0.00065 -0.00160 0.00293 0.00133 2.03334 A37 2.14169 0.00049 -0.00070 0.00173 0.00101 2.14270 A38 2.12779 0.00009 -0.00121 0.00116 -0.00008 2.12771 A39 2.01360 -0.00058 0.00184 -0.00266 -0.00085 2.01275 A40 2.15064 0.00073 0.00111 -0.00031 0.00077 2.15141 A41 2.13414 -0.00079 -0.00351 0.00246 -0.00109 2.13305 A42 1.99828 0.00006 0.00258 -0.00249 0.00006 1.99834 A43 2.07984 0.00083 0.00098 0.00230 0.00356 2.08340 A44 2.11887 0.00011 0.00047 0.00009 0.00086 2.11973 A45 2.07463 -0.00094 -0.00087 -0.00265 -0.00326 2.07136 A46 1.89812 -0.00006 0.00273 -0.00218 0.00055 1.89867 A47 1.92288 -0.00012 -0.00448 0.00194 -0.00253 1.92034 A48 1.94202 0.00027 -0.00126 0.00186 0.00060 1.94263 A49 1.90745 0.00015 0.00111 0.00043 0.00154 1.90899 A50 1.90445 -0.00013 -0.00004 -0.00082 -0.00086 1.90359 A51 1.88863 -0.00011 0.00197 -0.00124 0.00074 1.88936 A52 1.93680 -0.00027 0.00030 -0.00045 -0.00015 1.93665 A53 1.94038 0.00049 -0.00324 0.00288 -0.00035 1.94002 A54 1.91936 -0.00036 -0.00119 0.00014 -0.00106 1.91830 A55 1.89078 -0.00009 0.00160 -0.00143 0.00018 1.89096 A56 1.88876 0.00017 0.00160 -0.00087 0.00072 1.88948 A57 1.88618 0.00007 0.00113 -0.00038 0.00074 1.88692 A58 2.09539 0.00051 0.00363 0.00193 0.00585 2.10124 A59 2.07604 0.00052 -0.00067 0.00196 0.00161 2.07764 A60 2.07549 -0.00101 -0.00746 -0.00276 -0.00989 2.06560 A61 1.91273 0.00046 0.00343 0.00187 0.00531 1.91805 A62 1.96001 -0.00049 -0.00328 -0.00303 -0.00633 1.95368 A63 1.91414 0.00047 -0.00473 0.00521 0.00047 1.91461 A64 1.89417 -0.00012 0.00237 -0.00204 0.00034 1.89451 A65 1.88369 -0.00011 0.00138 0.00083 0.00222 1.88590 A66 1.89742 -0.00022 0.00108 -0.00280 -0.00177 1.89566 A67 1.89911 -0.00002 0.00117 -0.00156 -0.00039 1.89872 A68 1.91914 0.00002 -0.00152 0.00114 -0.00037 1.91877 A69 1.94349 0.00013 -0.00233 0.00209 -0.00024 1.94324 A70 1.90463 -0.00002 0.00058 -0.00040 0.00018 1.90481 A71 1.90541 -0.00005 0.00007 -0.00021 -0.00015 1.90526 A72 1.89170 -0.00007 0.00208 -0.00109 0.00099 1.89269 D1 1.11553 -0.00024 0.01791 -0.02104 -0.00313 1.11240 D2 -3.10008 -0.00029 0.01518 -0.01954 -0.00437 -3.10444 D3 -0.98147 -0.00031 0.01588 -0.02044 -0.00456 -0.98603 D4 -3.04249 -0.00001 0.01074 -0.01020 0.00054 -3.04195 D5 -0.97491 -0.00006 0.00801 -0.00871 -0.00070 -0.97561 D6 1.14370 -0.00008 0.00871 -0.00960 -0.00089 1.14280 D7 -1.02219 0.00023 0.02177 -0.01754 0.00422 -1.01796 D8 1.04539 0.00019 0.01903 -0.01605 0.00299 1.04838 D9 -3.11918 0.00016 0.01973 -0.01695 0.00279 -3.11639 D10 -1.11039 0.00070 0.00506 0.00316 0.00823 -1.10216 D11 2.99185 -0.00058 0.00667 -0.00438 0.00227 2.99413 D12 1.02085 -0.00004 0.00071 0.00050 0.00122 1.02207 D13 -1.03640 -0.00058 0.02514 -0.04065 -0.01550 -1.05190 D14 2.23514 -0.00038 0.01899 -0.03131 -0.01233 2.22281 D15 1.13324 -0.00028 0.01831 -0.03153 -0.01320 1.12005 D16 -1.87840 -0.00008 0.01216 -0.02218 -0.01003 -1.88843 D17 -3.11041 -0.00062 0.01947 -0.03541 -0.01593 -3.12634 D18 0.16113 -0.00042 0.01332 -0.02606 -0.01276 0.14837 D19 -0.61833 0.00021 -0.02055 0.04874 0.02819 -0.59014 D20 2.58139 -0.00011 -0.00668 0.01398 0.00731 2.58870 D21 -0.03906 -0.00032 0.00071 -0.00611 -0.00539 -0.04445 D22 3.12075 0.00003 -0.00965 0.01760 0.00794 3.12869 D23 0.02671 -0.00011 0.00577 -0.01472 -0.00894 0.01777 D24 -3.08510 -0.00019 0.00757 -0.01948 -0.01189 -3.09700 D25 3.10971 0.00016 -0.00826 0.02033 0.01209 3.12181 D26 -0.00210 0.00008 -0.00646 0.01557 0.00913 0.00704 D27 3.10014 0.00017 -0.00544 0.01100 0.00560 3.10574 D28 0.01256 -0.00021 0.00756 -0.02145 -0.01391 -0.00134 D29 -3.12219 0.00012 0.00082 0.00183 0.00264 -3.11956 D30 -0.00896 0.00020 -0.00088 0.00633 0.00545 -0.00351 D31 3.11300 -0.00009 -0.00283 0.00002 -0.00280 3.11020 D32 -0.00634 -0.00001 0.00113 -0.00246 -0.00133 -0.00767 D33 -0.00572 -0.00017 -0.00146 -0.00361 -0.00508 -0.01080 D34 -3.12506 -0.00009 0.00250 -0.00608 -0.00361 -3.12866 D35 0.02081 -0.00015 0.00298 -0.00674 -0.00376 0.01705 D36 3.13912 0.00011 0.01771 -0.01890 -0.00117 3.13794 D37 -3.05467 0.00029 -0.00919 0.01270 0.00348 -3.05120 D38 -0.02475 0.00006 -0.00389 0.00459 0.00070 -0.02405 D39 0.10817 0.00006 -0.02253 0.02374 0.00119 0.10936 D40 3.13810 -0.00017 -0.01724 0.01563 -0.00159 3.13651 D41 0.36367 -0.00030 0.02347 -0.00182 0.02167 0.38533 D42 -2.80247 -0.00003 0.03896 -0.01459 0.02434 -2.77813 D43 3.05546 -0.00005 0.00819 -0.00803 0.00011 3.05557 D44 -0.10892 -0.00011 0.00406 -0.00539 -0.00138 -0.11030 D45 0.01718 0.00008 0.00309 -0.00036 0.00272 0.01990 D46 3.13599 0.00002 -0.00104 0.00228 0.00123 3.13722 D47 0.00340 0.00009 0.00289 -0.00448 -0.00158 0.00182 D48 -3.11111 0.00017 0.00771 -0.00751 0.00022 -3.11089 D49 0.00882 -0.00025 -0.00192 -0.00180 -0.00373 0.00509 D50 3.13805 0.00034 0.00245 0.00484 0.00728 -3.13785 D51 -0.01734 0.00033 -0.00340 0.01536 0.01195 -0.00539 D52 3.13656 -0.00026 -0.00780 0.00879 0.00099 3.13755 D53 -3.05483 -0.00018 0.01204 -0.01327 -0.00125 -3.05608 D54 0.06978 0.00007 0.00246 0.00421 0.00668 0.07646 D55 -2.91678 0.00017 0.00938 0.00675 0.01618 -2.90060 D56 -0.06427 0.00006 -0.00544 0.01069 0.00518 -0.05909 D57 0.24077 -0.00007 0.01836 -0.00970 0.00873 0.24950 D58 3.09328 -0.00017 0.00354 -0.00576 -0.00227 3.09101 D59 -0.06071 -0.00019 0.01135 -0.01293 -0.00145 -0.06216 D60 -3.05019 -0.00014 0.00041 -0.01072 -0.01043 -3.06062 D61 3.09763 0.00012 0.00182 0.00884 0.01079 3.10842 D62 0.10814 0.00017 -0.00912 0.01105 0.00182 0.10996 D63 2.98892 -0.00018 -0.03600 -0.00965 -0.04557 2.94335 D64 0.89869 -0.00025 -0.03636 -0.01000 -0.04627 0.85241 D65 -1.19603 -0.00022 -0.03508 -0.01093 -0.04591 -1.24195 D66 -0.30089 -0.00014 -0.02483 -0.01158 -0.03650 -0.33740 D67 -2.39113 -0.00022 -0.02519 -0.01193 -0.03720 -2.42833 D68 1.79734 -0.00018 -0.02391 -0.01286 -0.03684 1.76050 D69 -2.18793 -0.00004 0.01688 -0.00929 0.00757 -2.18035 D70 1.98959 -0.00007 0.01681 -0.00911 0.00769 1.99728 D71 -0.09870 -0.00024 0.01826 -0.01056 0.00769 -0.09101 D72 1.10533 -0.00013 0.00558 -0.00750 -0.00192 1.10341 D73 -1.00034 -0.00017 0.00551 -0.00733 -0.00180 -1.00214 D74 -3.08863 -0.00034 0.00696 -0.00878 -0.00181 -3.09044 D75 -2.57818 0.00023 0.06979 0.01554 0.08532 -2.49287 D76 1.59839 0.00038 0.06658 0.01883 0.08541 1.68381 D77 -0.51331 0.00066 0.07076 0.02079 0.09150 -0.42181 D78 0.85240 0.00009 0.08352 0.01084 0.09437 0.94677 D79 -1.25421 0.00024 0.08031 0.01412 0.09447 -1.15974 D80 2.91728 0.00052 0.08448 0.01608 0.10056 3.01783 D81 3.06783 -0.00032 -0.00722 -0.01741 -0.02467 3.04317 D82 0.98267 -0.00030 -0.00774 -0.01666 -0.02443 0.95824 D83 -1.11438 -0.00031 -0.00784 -0.01740 -0.02526 -1.13964 D84 -0.35952 -0.00018 -0.02012 -0.01275 -0.03285 -0.39237 D85 -2.44468 -0.00015 -0.02064 -0.01200 -0.03261 -2.47729 D86 1.74146 -0.00017 -0.02074 -0.01273 -0.03345 1.70801 Item Value Threshold Converged? Maximum Force 0.004933 0.000450 NO RMS Force 0.000725 0.000300 NO Maximum Displacement 0.257770 0.001800 NO RMS Displacement 0.039013 0.001200 NO Predicted change in Energy=-2.702421D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.945117 -4.943140 2.061737 2 6 0 7.151028 -5.256992 3.536568 3 8 0 6.840556 -6.105599 1.286891 4 7 0 2.986941 -0.799082 0.127173 5 6 0 4.226227 -1.380667 0.297264 6 6 0 4.462987 -2.583425 0.970273 7 7 0 3.644510 -3.504050 1.602721 8 6 0 4.443378 -4.404310 2.065417 9 7 0 5.771170 -4.140445 1.802959 10 6 0 5.781702 -2.974506 1.081967 11 7 0 6.827773 -2.325397 0.608016 12 6 0 6.485079 -1.215321 -0.009776 13 7 0 5.271985 -0.721197 -0.182721 14 1 0 7.767311 -4.337100 1.707257 15 1 0 8.099991 -5.773067 3.663856 16 1 0 7.190776 -4.340101 4.114780 17 7 0 4.104139 -5.527798 2.777660 18 1 0 6.356289 -5.883243 3.912001 19 1 0 7.655259 -6.588015 1.336595 20 6 0 2.907895 -5.943476 2.647172 21 1 0 7.289839 -0.635746 -0.425465 22 6 0 1.967583 -1.541486 -0.015835 23 1 0 2.020146 -2.617615 -0.051727 24 7 0 0.731849 -1.038832 -0.170836 25 6 0 0.533524 0.395149 -0.098856 26 6 0 -0.427145 -1.895890 -0.233194 27 1 0 -0.467220 0.626421 -0.441775 28 1 0 1.253280 0.900218 -0.726726 29 1 0 0.653413 0.759336 0.916504 30 1 0 -0.997610 -1.712607 -1.138962 31 1 0 -1.079924 -1.735367 0.620417 32 1 0 -0.118944 -2.933282 -0.230666 33 7 0 2.415630 -6.968065 3.354431 34 1 0 2.216605 -5.483622 1.959264 35 6 0 1.168074 -7.590958 2.969141 36 6 0 3.294144 -7.686601 4.257892 37 1 0 0.606841 -7.870041 3.853020 38 1 0 1.327897 -8.481183 2.365499 39 1 0 0.571142 -6.890510 2.400195 40 1 0 2.708946 -8.408002 4.812732 41 1 0 3.755172 -6.996314 4.950494 42 1 0 4.078646 -8.205074 3.716645 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521851 0.000000 3 O 1.400939 2.424370 0.000000 4 N 6.048381 6.988316 6.659912 0.000000 5 C 4.816320 5.837246 5.489906 1.379493 0.000000 6 C 3.594512 4.578143 4.261314 2.464429 1.398436 7 N 3.629833 4.371297 4.133100 3.150633 2.559564 8 C 2.559111 3.197299 3.040880 4.344613 3.509406 9 N 1.445489 2.481146 2.296028 4.660998 3.502905 10 C 2.487771 3.620754 3.311633 3.668077 2.361267 11 N 2.996607 4.156340 3.840698 4.160870 2.785161 12 C 4.289456 5.418039 5.071738 3.525476 2.285613 13 N 5.065745 6.159331 5.797583 2.307276 1.326234 14 H 1.081177 2.138313 2.040385 6.153550 4.823676 15 H 2.142265 1.087688 2.710482 7.961905 6.755232 16 H 2.153831 1.084711 3.352102 6.790586 5.667471 17 N 2.987562 3.151637 3.169262 5.534796 4.833835 18 H 2.157311 1.079236 2.678649 7.178171 6.154404 19 H 1.932807 2.620257 0.948122 7.534430 6.320992 20 C 4.200306 4.389358 4.164429 5.728999 5.298989 21 H 4.985844 6.088750 5.749201 4.341315 3.234650 22 C 6.376786 7.300182 6.802506 1.269135 2.285906 23 H 5.842101 6.794713 6.098712 2.067307 2.553161 24 N 7.670248 8.528985 8.069288 2.287297 3.542125 25 C 8.618238 9.431563 9.162897 2.737980 4.116612 26 C 8.300764 9.106965 8.535326 3.604002 4.711763 27 H 9.603662 10.415348 10.085236 3.779813 5.157812 28 H 8.620752 9.532594 9.184432 2.573392 3.884509 29 H 8.568274 9.234714 9.249068 2.914972 4.210471 30 H 9.152471 10.041093 9.306986 4.279517 5.427836 31 H 8.761764 9.415645 9.070674 4.202298 5.327802 32 H 7.693868 8.511415 7.797514 3.785417 4.644334 33 N 5.127147 5.038347 4.959692 6.985552 6.621446 34 H 4.760404 5.185343 4.713796 5.088702 4.861590 35 C 6.419389 6.447101 6.100272 7.583840 7.420171 36 C 5.067473 4.615069 4.889116 8.037110 7.504675 37 H 7.207579 7.053691 6.968320 8.339381 8.237434 38 H 6.645539 6.758378 6.098869 8.171732 7.943251 39 H 6.673408 6.874201 6.415691 6.936008 6.938324 40 H 6.125226 5.593707 5.899391 8.940213 8.489701 41 H 4.768248 4.068939 4.871853 7.890519 7.308209 42 H 4.647106 4.261825 4.235522 8.302099 7.634558 6 7 8 9 10 6 C 0.000000 7 N 1.384718 0.000000 8 C 2.124934 1.289475 0.000000 9 N 2.197503 2.228851 1.378963 0.000000 10 C 1.380010 2.262563 2.191488 1.370895 0.000000 11 N 2.406246 3.537205 3.482992 2.416340 1.319180 12 C 2.630791 3.988391 4.317941 3.514545 2.186635 13 N 2.334902 3.685207 4.393863 3.985395 2.633752 14 H 3.812752 4.207420 3.343849 2.008086 2.488030 15 H 5.536876 5.408144 4.218924 3.398794 4.457865 16 H 4.518259 4.425542 3.428149 2.720231 3.612242 17 N 3.473435 2.384805 1.372807 2.377768 3.494122 18 H 4.809070 4.283350 3.042425 2.797815 4.098780 19 H 5.134348 5.066337 3.951699 3.123761 4.078296 20 C 4.064510 2.753957 2.250595 3.487400 4.418530 21 H 3.705756 5.062522 5.339372 4.422120 3.164905 22 C 2.878383 3.046878 4.319367 4.952764 4.219741 23 H 2.648231 2.482242 3.680575 4.452983 3.944862 24 N 4.196342 4.207897 5.486594 6.237839 5.551339 25 C 5.045357 5.270423 6.557884 7.184807 6.347621 26 C 5.082758 4.747118 5.941193 6.899496 6.437611 27 H 6.050119 6.176332 7.463795 8.165743 7.371397 28 H 5.031679 5.526471 6.790493 7.226266 6.228279 29 H 5.068510 5.253000 6.507462 7.140384 6.345731 30 H 5.918219 5.681142 6.864230 7.769535 7.244583 31 H 5.618315 5.139401 6.302234 7.356650 6.987875 32 H 4.749605 4.225006 5.315139 6.347151 6.045025 33 N 5.394529 4.071613 3.513710 4.654261 5.695879 34 H 3.799404 2.466726 2.476833 3.803089 4.446934 35 C 6.318806 4.970176 4.658225 5.869797 6.794013 36 C 6.181993 4.966530 4.111097 4.973688 6.203086 37 H 7.150412 5.775219 5.470451 6.692005 7.643571 38 H 6.823415 5.542596 5.139763 6.237077 7.197730 39 H 5.978471 4.642162 4.613836 5.912685 6.650019 40 H 7.194918 5.935335 5.156118 6.053758 7.272091 41 H 5.984709 4.838981 3.939008 4.703956 5.936940 42 H 6.268429 5.172695 4.159975 4.800837 6.099243 11 12 13 14 15 11 N 0.000000 12 C 1.315817 0.000000 13 N 2.370485 1.321237 0.000000 14 H 2.477501 3.786532 4.782617 0.000000 15 H 4.779448 6.072607 6.950911 2.449685 0.000000 16 H 4.060566 5.222472 5.936896 2.475594 1.755960 17 N 4.730846 5.660047 5.764645 3.997793 4.100284 18 H 4.878205 6.098067 6.677514 3.040138 1.764712 19 H 4.402893 5.661084 6.512133 2.283980 2.505607 20 C 5.710875 6.497004 6.392919 5.203634 5.293443 21 H 2.033840 1.075334 2.034198 4.298430 6.615962 22 C 4.962373 4.529259 3.408782 6.664934 8.309803 23 H 4.861474 4.680151 3.766698 6.251445 7.792750 24 N 6.278706 5.758190 4.551249 7.993968 9.560720 25 C 6.893375 6.166244 4.868909 8.830850 10.462137 26 C 7.316142 6.949239 5.819152 8.767779 10.145518 27 H 7.939283 7.205075 5.900988 9.852024 11.454552 28 H 6.577317 5.688695 4.367484 8.705537 10.520808 29 H 6.908940 6.226202 4.973075 8.786722 10.279676 30 H 8.041396 7.583732 6.419120 9.581898 11.059870 31 H 7.929688 7.608999 6.482308 9.285677 10.480286 32 H 7.023517 6.827394 5.827326 8.241315 9.527989 33 N 6.968799 7.808480 7.726161 6.186732 5.816848 34 H 5.750054 6.349439 6.050135 5.673478 6.132181 35 C 8.082898 8.820047 8.600578 7.465244 7.199919 36 C 7.385840 8.382870 8.493983 6.142810 5.206789 37 H 8.942769 9.682984 9.442285 8.267908 7.783340 38 H 8.439851 9.221236 9.070096 7.685881 7.408163 39 H 7.949692 8.543441 8.174950 7.667132 7.715510 40 H 8.464187 9.447244 9.518965 7.197449 6.109514 41 H 7.079227 8.091758 8.247891 5.804073 4.693530 42 H 7.196657 8.278513 8.522765 5.710089 4.699857 16 17 18 19 20 16 H 0.000000 17 N 3.567330 0.000000 18 H 1.766006 2.546616 0.000000 19 H 3.603771 3.976327 2.969300 0.000000 20 C 4.802890 1.273112 3.673533 4.966941 0.000000 21 H 5.860535 6.658893 6.871779 6.218350 7.537541 22 C 7.223293 5.315935 7.317069 7.723094 5.230039 23 H 6.860186 4.562633 6.721429 7.031786 4.374186 24 N 8.425118 6.341670 8.471848 8.999966 6.060683 25 C 9.192189 7.490323 9.455675 10.076915 7.304552 26 C 9.105589 6.541294 8.893627 9.476577 5.983473 27 H 10.201639 8.314836 10.387078 11.008422 8.006031 28 H 9.281971 7.856685 9.673358 10.065598 7.807502 29 H 8.886525 7.409417 9.253089 10.158045 7.280493 30 H 10.077460 7.478198 9.848161 10.235728 6.891156 31 H 9.348780 6.775747 9.128893 10.018210 6.141549 32 H 8.619400 5.797928 8.233628 8.732218 5.148299 33 N 5.503303 2.293054 4.125109 5.627594 1.338777 34 H 5.540421 2.057792 4.594548 5.584475 1.078223 35 C 6.939273 3.593574 5.542820 6.764220 2.417610 36 C 5.138413 2.740002 3.570500 5.362853 2.404598 37 H 7.475105 4.344375 6.083338 7.593167 3.234281 38 H 7.387956 4.074295 5.867341 6.684179 3.002614 39 H 7.298215 3.805461 6.063669 7.169900 2.533434 40 H 6.092763 3.792580 4.526459 6.313628 3.286810 41 H 4.422359 2.645662 3.013835 5.332696 2.670513 42 H 4.978140 2.837278 3.258331 4.590390 2.762110 21 22 23 24 25 21 H 0.000000 22 C 5.414293 0.000000 23 H 5.642442 1.078010 0.000000 24 N 6.575298 1.343029 2.041189 0.000000 25 C 6.842311 2.411218 3.359913 1.449419 0.000000 26 C 7.821558 2.430549 2.557938 1.442811 2.487929 27 H 7.859090 3.287782 4.106445 2.069841 1.082852 28 H 6.236184 2.641498 3.663176 2.083464 1.080447 29 H 6.912979 2.808929 3.769513 2.102824 1.085340 30 H 8.387521 3.175385 3.332862 2.093387 2.805143 31 H 8.506231 3.119248 3.292502 2.096130 2.767609 32 H 7.759297 2.517309 2.169648 2.077587 3.394339 33 N 8.839897 6.403686 5.539380 7.100593 8.347720 34 H 7.411243 4.416273 3.506662 5.147619 6.452020 35 C 9.867843 6.793041 5.880970 7.278743 8.578646 36 C 9.360233 7.601773 6.774253 8.388791 9.587333 37 H 10.737919 7.541238 6.695704 7.929215 9.161663 38 H 10.241343 7.364736 6.379939 7.885230 9.246261 39 H 9.604547 6.033184 5.135092 6.393603 7.702435 40 H 10.432221 8.426964 7.593813 9.113152 10.312693 41 H 9.047188 7.590457 6.870628 8.417843 9.513605 42 H 9.206712 7.924102 7.046825 8.812978 10.054341 26 27 28 29 30 26 C 0.000000 27 H 2.531237 0.000000 28 H 3.299337 1.765300 0.000000 29 H 3.088630 1.765902 1.754962 0.000000 30 H 1.086020 2.497686 3.473226 3.614045 0.000000 31 H 1.086526 2.661146 3.768944 3.052158 1.761450 32 H 1.082208 3.582924 4.101804 3.943090 1.757015 33 N 6.832230 8.966505 8.939618 8.292262 7.711071 34 H 4.966699 7.092286 6.992564 6.519619 5.843863 35 C 6.725583 9.046206 9.261035 8.614267 7.491442 36 C 8.218891 10.263579 10.136321 9.458973 9.123255 37 H 7.311412 9.580644 9.915110 9.115450 8.087530 38 H 7.293795 9.698024 9.878163 9.377723 7.968867 39 H 5.733894 8.103039 8.422493 7.792833 6.465083 40 H 8.814989 10.923309 10.929205 10.170835 9.694820 41 H 8.389083 10.247499 10.042186 9.275995 9.358844 42 H 8.701102 10.768131 10.518202 9.996682 9.565428 31 32 33 34 35 31 H 0.000000 32 H 1.755797 0.000000 33 N 6.861112 5.962924 0.000000 34 H 5.168078 4.093265 2.046869 0.000000 35 C 6.697608 5.795613 1.446665 2.561276 0.000000 36 C 8.232915 7.374983 1.450629 3.361235 2.488012 37 H 7.136465 6.447856 2.081795 3.445671 1.083564 38 H 7.372174 6.293856 2.109662 3.152808 1.087395 39 H 5.698169 4.801803 2.078152 2.209368 1.081968 40 H 8.743861 7.962751 2.070289 4.115420 2.537849 41 H 8.354956 7.639465 2.083888 3.688208 3.312467 42 H 8.834850 7.809790 2.104047 3.736561 3.067137 36 37 38 39 40 36 C 0.000000 37 H 2.723815 0.000000 38 H 2.842296 1.762423 0.000000 39 H 3.391097 1.752556 1.761852 0.000000 40 H 1.082000 2.372614 2.810980 3.562769 0.000000 41 H 1.081083 3.446714 3.844308 4.080841 1.762507 42 H 1.084991 3.490598 3.077085 3.970353 1.765974 41 42 41 H 0.000000 42 H 1.757304 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.486406 -2.260288 0.142453 2 6 0 3.481535 -2.095179 -0.997058 3 8 0 3.034584 -1.887840 1.376719 4 7 0 -3.248599 -0.375568 -0.232339 5 6 0 -2.225656 -1.287693 -0.075438 6 6 0 -0.862694 -0.974855 -0.084949 7 7 0 -0.152191 0.206266 -0.217553 8 6 0 1.089232 -0.139829 -0.174736 9 7 0 1.270624 -1.500254 -0.041013 10 6 0 0.011118 -2.036357 0.033772 11 7 0 -0.321604 -3.306395 0.162361 12 6 0 -1.625911 -3.480025 0.165415 13 7 0 -2.569560 -2.562058 0.053479 14 1 0 2.155759 -3.288912 0.181799 15 1 0 4.320508 -2.769468 -0.840452 16 1 0 3.017877 -2.355028 -1.942625 17 7 0 2.183854 0.683224 -0.269522 18 1 0 3.848471 -1.081346 -1.044503 19 1 0 3.759797 -2.462940 1.582297 20 6 0 1.998919 1.909754 0.017252 21 1 0 -1.969462 -4.493543 0.270761 22 6 0 -3.107675 0.799568 0.225812 23 1 0 -2.236374 1.120096 0.773718 24 7 0 -4.058862 1.738435 0.093537 25 6 0 -5.258511 1.433672 -0.660636 26 6 0 -3.843142 3.095758 0.532675 27 1 0 -5.984860 2.219047 -0.492794 28 1 0 -5.670159 0.489179 -0.335299 29 1 0 -5.049423 1.365317 -1.723449 30 1 0 -4.617872 3.407207 1.227105 31 1 0 -3.840562 3.784140 -0.307958 32 1 0 -2.887221 3.173387 1.034035 33 7 0 2.952602 2.838666 -0.123935 34 1 0 1.052647 2.272568 0.385357 35 6 0 2.800345 4.142288 0.484529 36 6 0 4.276390 2.429204 -0.553179 37 1 0 3.206071 4.904456 -0.170145 38 1 0 3.308038 4.204523 1.444113 39 1 0 1.750046 4.354045 0.635146 40 1 0 4.881425 3.312797 -0.707836 41 1 0 4.209181 1.878784 -1.481221 42 1 0 4.753425 1.796086 0.187635 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3224128 0.1993795 0.1283612 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1831.7612789476 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.93D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999999 0.000559 -0.000546 0.001428 Ang= 0.19 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37878054 A.U. after 12 cycles NFock= 12 Conv=0.65D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000195000 -0.000521052 -0.000052326 2 6 0.000391098 0.000321291 0.000219563 3 8 0.000262503 -0.000331414 -0.000090756 4 7 0.002355331 0.002167139 -0.000014472 5 6 -0.004223700 -0.003691573 0.000462003 6 6 -0.000755658 0.000678135 -0.000412133 7 7 -0.001220407 0.000256952 0.000158417 8 6 -0.000035007 -0.000635925 -0.000166943 9 7 0.001007114 -0.000631806 0.001115282 10 6 0.002028021 0.001281947 -0.000191505 11 7 0.001346747 -0.003003201 0.001615865 12 6 -0.002761482 0.001950280 -0.001231661 13 7 0.003458959 0.002536723 -0.000408917 14 1 -0.000440835 0.000089389 -0.000195086 15 1 -0.000446992 0.000074234 -0.000083188 16 1 0.000064960 -0.000174402 -0.000211412 17 7 0.000985502 0.000146792 0.000079183 18 1 0.000032218 0.000121301 -0.000134654 19 1 -0.000575653 0.000536816 0.000152271 20 6 -0.000248857 -0.000304356 0.000776720 21 1 -0.000083642 -0.000023526 0.000043170 22 6 -0.001724172 -0.000817092 -0.001256612 23 1 -0.000318042 -0.000117808 0.000213880 24 7 0.001453758 -0.000319698 -0.000031344 25 6 -0.000337710 0.000239403 -0.000295063 26 6 -0.000209360 -0.000093589 0.000474372 27 1 0.000307288 -0.000116350 0.000019122 28 1 -0.000030636 -0.000060066 0.000386964 29 1 -0.000267804 0.000107952 -0.000190911 30 1 0.000203276 0.000146539 0.000427859 31 1 -0.000176897 -0.000265159 -0.000042528 32 1 -0.000078897 0.000341914 -0.000211973 33 7 0.000780084 0.000014378 -0.000792447 34 1 -0.000587921 0.000126781 -0.000197599 35 6 -0.000434535 0.000362465 0.000378757 36 6 -0.000009966 -0.000017396 0.000367762 37 1 0.000124828 0.000088835 -0.000384478 38 1 -0.000101117 0.000114551 0.000239938 39 1 -0.000001778 -0.000441369 -0.000265648 40 1 0.000100688 0.000399332 0.000016830 41 1 0.000077105 -0.000341181 -0.000402660 42 1 -0.000103411 -0.000196183 0.000116355 ------------------------------------------------------------------- Cartesian Forces: Max 0.004223700 RMS 0.000953813 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003024623 RMS 0.000520664 Search for a local minimum. Step number 12 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 11 12 DE= -3.23D-04 DEPred=-2.70D-04 R= 1.20D+00 TightC=F SS= 1.41D+00 RLast= 2.68D-01 DXNew= 2.7656D+00 8.0461D-01 Trust test= 1.20D+00 RLast= 2.68D-01 DXMaxT set to 1.64D+00 ITU= 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00165 0.00243 0.00394 0.00809 0.01192 Eigenvalues --- 0.01199 0.01226 0.01257 0.01455 0.01504 Eigenvalues --- 0.01651 0.02020 0.02115 0.02133 0.02215 Eigenvalues --- 0.02327 0.02431 0.02558 0.02593 0.02628 Eigenvalues --- 0.02712 0.02805 0.02884 0.03267 0.03449 Eigenvalues --- 0.03861 0.05416 0.05484 0.05720 0.05946 Eigenvalues --- 0.06636 0.07430 0.07440 0.07550 0.07569 Eigenvalues --- 0.07621 0.07687 0.07800 0.07806 0.08424 Eigenvalues --- 0.15449 0.15773 0.15874 0.15977 0.15987 Eigenvalues --- 0.15999 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16001 0.16002 0.16009 Eigenvalues --- 0.16025 0.16147 0.16255 0.17017 0.18419 Eigenvalues --- 0.20919 0.22127 0.22380 0.22863 0.23595 Eigenvalues --- 0.23746 0.23965 0.24172 0.24683 0.24790 Eigenvalues --- 0.24945 0.24980 0.26110 0.26261 0.27395 Eigenvalues --- 0.27749 0.32539 0.32781 0.33165 0.33250 Eigenvalues --- 0.33327 0.33419 0.33518 0.33549 0.33592 Eigenvalues --- 0.33601 0.33622 0.33662 0.33688 0.33712 Eigenvalues --- 0.33762 0.33789 0.34650 0.35945 0.37375 Eigenvalues --- 0.37635 0.39063 0.39675 0.39770 0.40025 Eigenvalues --- 0.40047 0.40445 0.40899 0.41869 0.42913 Eigenvalues --- 0.46691 0.47275 0.48815 0.49083 0.51014 Eigenvalues --- 0.53269 0.54581 0.59376 0.60134 0.65017 Eigenvalues --- 0.67179 0.70904 0.74170 0.76122 0.87588 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 9 8 7 6 RFO step: Lambda=-5.70440618D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.86555 -0.67351 -0.88759 0.46722 0.04004 RFO-DIIS coefs: -0.03322 0.22151 Iteration 1 RMS(Cart)= 0.04137258 RMS(Int)= 0.00056943 Iteration 2 RMS(Cart)= 0.00103218 RMS(Int)= 0.00014432 Iteration 3 RMS(Cart)= 0.00000052 RMS(Int)= 0.00014432 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87588 -0.00027 0.00047 -0.00100 -0.00053 2.87535 R2 2.64739 -0.00018 -0.00538 0.00405 -0.00133 2.64606 R3 2.73158 -0.00056 0.00156 -0.00161 -0.00004 2.73154 R4 2.04313 -0.00022 0.00118 -0.00109 0.00009 2.04321 R5 2.05543 -0.00043 -0.00026 -0.00134 -0.00161 2.05383 R6 2.04981 -0.00026 -0.00100 0.00013 -0.00087 2.04894 R7 2.03946 -0.00014 -0.00003 -0.00017 -0.00020 2.03926 R8 1.79169 -0.00076 0.00340 -0.00443 -0.00103 1.79066 R9 2.60686 -0.00048 -0.00334 0.00103 -0.00231 2.60455 R10 2.39832 0.00156 0.00537 -0.00116 0.00420 2.40252 R11 2.64266 0.00046 -0.00063 -0.00051 -0.00113 2.64153 R12 2.50622 0.00302 0.00940 0.00119 0.01060 2.51682 R13 2.61674 0.00083 0.00264 0.00027 0.00293 2.61967 R14 2.60784 0.00211 0.00289 0.00330 0.00620 2.61404 R15 2.43675 0.00125 0.00178 0.00076 0.00255 2.43930 R16 2.60586 0.00016 -0.00241 0.00245 0.00003 2.60589 R17 2.59423 -0.00014 0.00242 -0.00152 0.00090 2.59513 R18 2.59062 0.00037 0.00547 -0.00280 0.00265 2.59327 R19 2.49289 -0.00075 -0.00347 -0.00051 -0.00398 2.48891 R20 2.48653 0.00254 0.01189 -0.00225 0.00964 2.49617 R21 2.49678 -0.00131 -0.00682 -0.00021 -0.00703 2.48974 R22 2.03209 -0.00009 0.00069 -0.00066 0.00003 2.03211 R23 2.40583 0.00046 0.00151 0.00000 0.00151 2.40735 R24 2.52992 -0.00053 -0.00028 -0.00069 -0.00097 2.52895 R25 2.03755 0.00056 -0.00042 0.00226 0.00183 2.03938 R26 2.03714 0.00009 -0.00309 0.00336 0.00028 2.03742 R27 2.53796 -0.00086 -0.00396 0.00119 -0.00277 2.53519 R28 2.73900 0.00021 0.00002 0.00099 0.00101 2.74002 R29 2.72652 0.00011 -0.00222 0.00264 0.00042 2.72694 R30 2.04629 -0.00031 0.00046 -0.00131 -0.00085 2.04544 R31 2.04175 -0.00027 -0.00057 -0.00031 -0.00087 2.04088 R32 2.05100 -0.00017 -0.00094 0.00003 -0.00091 2.05008 R33 2.05228 -0.00044 -0.00062 -0.00108 -0.00170 2.05059 R34 2.05324 0.00003 0.00102 -0.00087 0.00015 2.05339 R35 2.04508 -0.00035 -0.00090 -0.00001 -0.00091 2.04417 R36 2.73380 0.00031 -0.00073 0.00158 0.00085 2.73465 R37 2.74129 0.00018 -0.00081 0.00108 0.00026 2.74155 R38 2.04764 -0.00040 0.00063 -0.00125 -0.00062 2.04702 R39 2.05488 -0.00024 -0.00106 -0.00055 -0.00161 2.05327 R40 2.04462 -0.00015 0.00037 -0.00039 -0.00002 2.04460 R41 2.04468 -0.00031 0.00032 -0.00102 -0.00070 2.04398 R42 2.04295 -0.00044 -0.00060 -0.00100 -0.00160 2.04135 R43 2.05034 -0.00004 0.00007 -0.00019 -0.00012 2.05022 A1 1.95517 0.00019 -0.00273 0.00473 0.00199 1.95716 A2 1.98002 -0.00003 0.00597 -0.00574 0.00022 1.98025 A3 1.90757 0.00007 -0.00349 0.00284 -0.00067 1.90690 A4 1.87669 -0.00013 -0.00049 0.00203 0.00154 1.87823 A5 1.91828 0.00002 -0.00396 0.00274 -0.00122 1.91706 A6 1.82104 -0.00013 0.00505 -0.00725 -0.00221 1.81883 A7 1.90637 0.00002 0.00103 -0.00098 0.00004 1.90641 A8 1.92540 -0.00007 -0.00304 0.00289 -0.00015 1.92526 A9 1.93602 -0.00015 -0.00010 -0.00104 -0.00114 1.93488 A10 1.88253 0.00006 -0.00046 0.00112 0.00065 1.88318 A11 1.90333 0.00003 0.00184 -0.00211 -0.00028 1.90305 A12 1.90927 0.00011 0.00078 0.00013 0.00092 1.91018 A13 1.90611 -0.00045 -0.00241 -0.00032 -0.00273 1.90338 A14 2.08155 0.00074 -0.00015 0.00103 0.00088 2.08242 A15 2.18222 0.00255 0.01620 -0.00329 0.01286 2.19508 A16 2.04217 -0.00213 -0.01167 0.00153 -0.01019 2.03198 A17 2.05822 -0.00045 -0.00419 0.00098 -0.00324 2.05497 A18 2.33443 0.00043 0.00099 -0.00009 0.00089 2.33532 A19 2.03138 -0.00019 0.00136 -0.00183 -0.00045 2.03093 A20 1.91713 -0.00025 -0.00228 0.00176 -0.00052 1.91661 A21 1.83575 -0.00029 0.00294 -0.00342 -0.00048 1.83527 A22 1.97649 0.00045 -0.00160 0.00296 0.00133 1.97781 A23 2.21986 0.00045 -0.00237 0.00264 0.00028 2.22013 A24 2.08666 -0.00090 0.00420 -0.00596 -0.00175 2.08492 A25 2.26748 -0.00008 -0.00454 0.00460 0.00018 2.26766 A26 2.16543 -0.00005 0.00066 -0.00285 -0.00206 2.16336 A27 1.84444 0.00012 0.00195 -0.00118 0.00082 1.84526 A28 1.85068 -0.00003 -0.00103 0.00002 -0.00106 1.84963 A29 2.20090 0.00074 0.00160 0.00310 0.00471 2.20561 A30 2.23133 -0.00071 -0.00064 -0.00291 -0.00355 2.22778 A31 1.95765 -0.00077 0.00041 -0.00543 -0.00503 1.95262 A32 2.23457 0.00079 -0.00424 0.00688 0.00264 2.23721 A33 2.02783 -0.00037 -0.00177 -0.00143 -0.00319 2.02463 A34 2.02079 -0.00042 0.00599 -0.00546 0.00054 2.02133 A35 2.08362 -0.00013 0.00503 -0.00373 0.00130 2.08492 A36 2.03334 -0.00003 -0.00183 0.00202 0.00019 2.03353 A37 2.14270 0.00012 0.00100 -0.00008 0.00091 2.14360 A38 2.12771 0.00022 -0.00011 0.00168 0.00156 2.12927 A39 2.01275 -0.00035 -0.00085 -0.00160 -0.00246 2.01029 A40 2.15141 0.00049 0.00424 -0.00253 0.00170 2.15311 A41 2.13305 -0.00038 -0.00700 0.00574 -0.00128 2.13177 A42 1.99834 -0.00010 0.00268 -0.00289 -0.00023 1.99811 A43 2.08340 0.00061 0.00393 -0.00003 0.00412 2.08752 A44 2.11973 -0.00005 -0.00034 -0.00090 -0.00101 2.11872 A45 2.07136 -0.00056 -0.00281 -0.00001 -0.00262 2.06875 A46 1.89867 -0.00015 0.00110 -0.00128 -0.00019 1.89848 A47 1.92034 0.00007 -0.00331 0.00348 0.00017 1.92051 A48 1.94263 0.00029 -0.00051 0.00074 0.00024 1.94287 A49 1.90899 0.00006 0.00264 -0.00116 0.00148 1.91047 A50 1.90359 -0.00012 -0.00031 -0.00073 -0.00104 1.90254 A51 1.88936 -0.00016 0.00047 -0.00111 -0.00064 1.88873 A52 1.93665 -0.00029 -0.00480 0.00135 -0.00345 1.93320 A53 1.94002 0.00051 0.00441 -0.00143 0.00298 1.94301 A54 1.91830 -0.00005 -0.00405 0.00530 0.00127 1.91957 A55 1.89096 -0.00014 0.00103 -0.00213 -0.00111 1.88985 A56 1.88948 0.00005 0.00023 -0.00103 -0.00077 1.88871 A57 1.88692 -0.00010 0.00329 -0.00225 0.00105 1.88798 A58 2.10124 -0.00002 0.00211 -0.00052 0.00263 2.10387 A59 2.07764 0.00034 0.00173 0.00192 0.00457 2.08221 A60 2.06560 -0.00027 -0.00163 0.00110 0.00023 2.06583 A61 1.91805 0.00009 0.00415 -0.00060 0.00354 1.92159 A62 1.95368 -0.00007 -0.00722 0.00026 -0.00694 1.94674 A63 1.91461 0.00048 0.00334 0.00321 0.00653 1.92114 A64 1.89451 -0.00013 -0.00079 -0.00152 -0.00229 1.89222 A65 1.88590 -0.00009 0.00227 -0.00004 0.00218 1.88808 A66 1.89566 -0.00029 -0.00156 -0.00138 -0.00292 1.89274 A67 1.89872 -0.00010 0.00114 -0.00117 -0.00004 1.89868 A68 1.91877 0.00015 -0.00081 0.00169 0.00089 1.91966 A69 1.94324 0.00017 -0.00124 0.00101 -0.00022 1.94302 A70 1.90481 -0.00005 0.00003 -0.00050 -0.00047 1.90435 A71 1.90526 -0.00003 0.00041 -0.00013 0.00028 1.90554 A72 1.89269 -0.00015 0.00047 -0.00093 -0.00045 1.89224 D1 1.11240 -0.00000 -0.00586 -0.01258 -0.01844 1.09396 D2 -3.10444 0.00004 -0.00763 -0.01009 -0.01771 -3.12215 D3 -0.98603 0.00004 -0.00873 -0.00868 -0.01741 -1.00344 D4 -3.04195 -0.00006 -0.00413 -0.01058 -0.01471 -3.05666 D5 -0.97561 -0.00002 -0.00590 -0.00808 -0.01398 -0.98959 D6 1.14280 -0.00002 -0.00701 -0.00667 -0.01368 1.12912 D7 -1.01796 -0.00020 0.00344 -0.02119 -0.01775 -1.03572 D8 1.04838 -0.00016 0.00167 -0.01870 -0.01702 1.03135 D9 -3.11639 -0.00016 0.00057 -0.01729 -0.01673 -3.13312 D10 -1.10216 -0.00005 0.00730 -0.00233 0.00497 -1.09720 D11 2.99413 -0.00004 0.00190 0.00032 0.00222 2.99635 D12 1.02207 0.00018 -0.00180 0.00640 0.00461 1.02667 D13 -1.05190 -0.00033 -0.04498 0.00823 -0.03676 -1.08866 D14 2.22281 -0.00023 -0.02702 0.00177 -0.02524 2.19757 D15 1.12005 -0.00022 -0.04480 0.01191 -0.03290 1.08715 D16 -1.88843 -0.00011 -0.02684 0.00545 -0.02137 -1.90980 D17 -3.12634 -0.00031 -0.04709 0.01244 -0.03467 3.12217 D18 0.14837 -0.00021 -0.02913 0.00598 -0.02315 0.12523 D19 -0.59014 -0.00038 0.04337 0.00372 0.04707 -0.54306 D20 2.58870 0.00035 0.03373 0.02893 0.06267 2.65137 D21 -0.04445 0.00002 -0.00586 0.00980 0.00395 -0.04050 D22 3.12869 -0.00052 -0.00217 -0.00321 -0.00539 3.12330 D23 0.01777 0.00030 -0.00361 0.01001 0.00643 0.02420 D24 -3.09700 0.00047 -0.00857 0.01882 0.01029 -3.08671 D25 3.12181 -0.00048 0.00594 -0.01541 -0.00949 3.11232 D26 0.00704 -0.00031 0.00097 -0.00660 -0.00562 0.00142 D27 3.10574 -0.00017 0.00608 -0.00886 -0.00269 3.10305 D28 -0.00134 0.00044 -0.00333 0.01461 0.01124 0.00989 D29 -3.11956 0.00002 0.00290 -0.00243 0.00047 -3.11908 D30 -0.00351 -0.00015 0.00765 -0.01085 -0.00321 -0.00672 D31 3.11020 0.00005 -0.00375 0.00648 0.00274 3.11294 D32 -0.00767 -0.00001 -0.00011 -0.00253 -0.00263 -0.01030 D33 -0.01080 0.00017 -0.00758 0.01326 0.00569 -0.00511 D34 -3.12866 0.00011 -0.00394 0.00425 0.00031 -3.12835 D35 0.01705 0.00007 -0.00478 0.00422 -0.00056 0.01649 D36 3.13794 0.00003 0.00911 -0.01678 -0.00768 3.13026 D37 -3.05120 0.00012 0.01565 -0.00151 0.01416 -3.03704 D38 -0.02405 0.00002 0.00021 0.00385 0.00406 -0.01998 D39 0.10936 0.00014 0.00303 0.01762 0.02065 0.13000 D40 3.13651 0.00005 -0.01241 0.02298 0.01055 -3.13613 D41 0.38533 -0.00024 -0.04786 0.01045 -0.03741 0.34793 D42 -2.77813 -0.00027 -0.03325 -0.01163 -0.04488 -2.82301 D43 3.05557 -0.00021 -0.01025 -0.00468 -0.01488 3.04068 D44 -0.11030 -0.00012 -0.01394 0.00464 -0.00927 -0.11957 D45 0.01990 -0.00012 0.00454 -0.01026 -0.00573 0.01418 D46 3.13722 -0.00003 0.00086 -0.00093 -0.00011 3.13711 D47 0.00182 0.00018 0.00154 0.00308 0.00462 0.00644 D48 -3.11089 0.00009 0.00596 -0.00795 -0.00198 -3.11287 D49 0.00509 -0.00003 -0.00437 0.00612 0.00175 0.00684 D50 -3.13785 -0.00018 0.00319 -0.00587 -0.00268 -3.14053 D51 -0.00539 -0.00029 0.00553 -0.01550 -0.00995 -0.01535 D52 3.13755 -0.00014 -0.00196 -0.00356 -0.00553 3.13202 D53 -3.05608 0.00017 -0.00654 -0.00221 -0.00876 -3.06483 D54 0.07646 -0.00014 -0.00558 -0.00210 -0.00767 0.06879 D55 -2.90060 -0.00033 -0.01118 -0.01133 -0.02296 -2.92356 D56 -0.05909 -0.00020 0.00801 -0.00170 0.00675 -0.05234 D57 0.24950 -0.00004 -0.01210 -0.01146 -0.02399 0.22550 D58 3.09101 0.00009 0.00709 -0.00183 0.00571 3.09672 D59 -0.06216 0.00024 0.00467 0.00132 0.00609 -0.05607 D60 -3.06062 0.00034 -0.00670 0.00896 0.00216 -3.05846 D61 3.10842 -0.00027 0.00801 -0.01063 -0.00251 3.10591 D62 0.10996 -0.00017 -0.00336 -0.00298 -0.00644 0.10352 D63 2.94335 -0.00012 -0.00343 -0.00645 -0.00982 2.93352 D64 0.85241 -0.00015 -0.00534 -0.00633 -0.01162 0.84079 D65 -1.24195 -0.00019 -0.00343 -0.00772 -0.01109 -1.25304 D66 -0.33740 -0.00018 0.00811 -0.01395 -0.00590 -0.34330 D67 -2.42833 -0.00020 0.00620 -0.01383 -0.00770 -2.43603 D68 1.76050 -0.00025 0.00811 -0.01522 -0.00717 1.75333 D69 -2.18035 -0.00012 -0.04610 -0.00359 -0.04970 -2.23005 D70 1.99728 -0.00009 -0.04710 -0.00084 -0.04797 1.94931 D71 -0.09101 -0.00027 -0.05142 -0.00058 -0.05203 -0.14304 D72 1.10341 -0.00011 -0.05816 0.00400 -0.05412 1.04929 D73 -1.00214 -0.00009 -0.05915 0.00675 -0.05239 -1.05453 D74 -3.09044 -0.00026 -0.06347 0.00701 -0.05645 3.13630 D75 -2.49287 0.00016 -0.00358 0.00262 -0.00106 -2.49392 D76 1.68381 0.00031 -0.00072 0.00478 0.00400 1.68780 D77 -0.42181 0.00039 0.00369 0.00416 0.00781 -0.41400 D78 0.94677 -0.00008 -0.02417 -0.00709 -0.03122 0.91555 D79 -1.15974 0.00007 -0.02130 -0.00493 -0.02616 -1.18590 D80 3.01783 0.00016 -0.01690 -0.00555 -0.02235 2.99548 D81 3.04317 -0.00034 -0.03017 -0.01510 -0.04497 2.99820 D82 0.95824 -0.00031 -0.03043 -0.01479 -0.04491 0.91334 D83 -1.13964 -0.00033 -0.02970 -0.01540 -0.04479 -1.18443 D84 -0.39237 -0.00017 -0.00925 -0.00596 -0.01551 -0.40788 D85 -2.47729 -0.00014 -0.00950 -0.00564 -0.01545 -2.49274 D86 1.70801 -0.00016 -0.00877 -0.00625 -0.01533 1.69268 Item Value Threshold Converged? Maximum Force 0.003025 0.000450 NO RMS Force 0.000521 0.000300 NO Maximum Displacement 0.148649 0.001800 NO RMS Displacement 0.041383 0.001200 NO Predicted change in Energy=-2.006867D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.951880 -4.939693 2.066719 2 6 0 7.168720 -5.236686 3.543186 3 8 0 6.849646 -6.108738 1.302822 4 7 0 2.986487 -0.806791 0.100750 5 6 0 4.220056 -1.391541 0.290490 6 6 0 4.459528 -2.594857 0.960291 7 7 0 3.641544 -3.530264 1.574830 8 6 0 4.445325 -4.423636 2.046047 9 7 0 5.774099 -4.143004 1.806919 10 6 0 5.784248 -2.969322 1.095884 11 7 0 6.832241 -2.309598 0.647372 12 6 0 6.484761 -1.194774 0.029920 13 7 0 5.273561 -0.711917 -0.158999 14 1 0 7.768741 -4.332842 1.701325 15 1 0 8.112137 -5.761686 3.667911 16 1 0 7.223986 -4.313213 4.108649 17 7 0 4.110099 -5.551612 2.754003 18 1 0 6.370646 -5.849499 3.933134 19 1 0 7.666532 -6.585918 1.356674 20 6 0 2.907103 -5.955865 2.643385 21 1 0 7.291482 -0.603231 -0.364608 22 6 0 1.957977 -1.545697 -0.011235 23 1 0 1.998042 -2.623069 -0.002014 24 7 0 0.727892 -1.036468 -0.176677 25 6 0 0.539744 0.401147 -0.161524 26 6 0 -0.439661 -1.884169 -0.200489 27 1 0 -0.458232 0.625632 -0.515418 28 1 0 1.265169 0.876088 -0.805388 29 1 0 0.658890 0.803977 0.838700 30 1 0 -1.037690 -1.690529 -1.084998 31 1 0 -1.063216 -1.722619 0.674608 32 1 0 -0.141395 -2.923862 -0.214942 33 7 0 2.421871 -6.988844 3.342280 34 1 0 2.202540 -5.479487 1.979073 35 6 0 1.147109 -7.578518 2.993845 36 6 0 3.307002 -7.730093 4.220813 37 1 0 0.615247 -7.872173 3.890665 38 1 0 1.271963 -8.456355 2.365838 39 1 0 0.538861 -6.859888 2.460706 40 1 0 2.717438 -8.424214 4.804365 41 1 0 3.817814 -7.051619 4.888384 42 1 0 4.051813 -8.281551 3.656704 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521571 0.000000 3 O 1.400234 2.425183 0.000000 4 N 6.055597 6.997529 6.669304 0.000000 5 C 4.817388 5.836076 5.494680 1.378270 0.000000 6 C 3.596423 4.581520 4.263491 2.471000 1.397837 7 N 3.631359 4.384891 4.124856 3.165331 2.560926 8 C 2.559211 3.212375 3.028648 4.358206 3.510886 9 N 1.445467 2.481074 2.296742 4.670345 3.505019 10 C 2.487619 3.612062 3.321721 3.673459 2.363207 11 N 2.991029 4.131198 3.855305 4.164979 2.791721 12 C 4.288492 5.398878 5.089249 3.520436 2.288122 13 N 5.064056 6.145839 5.809186 2.303732 1.331842 14 H 1.081223 2.137617 2.038957 6.153441 4.820256 15 H 2.141422 1.086839 2.703327 7.971695 6.756733 16 H 2.153137 1.084253 3.352119 6.805487 5.669047 17 N 2.987059 3.174453 3.149831 5.551179 4.836029 18 H 2.156174 1.079130 2.686110 7.181129 6.145509 19 H 1.930013 2.617074 0.947579 7.541783 6.324279 20 C 4.210150 4.414548 4.167027 5.743193 5.300284 21 H 4.983130 6.062576 5.769415 4.334856 3.237938 22 C 6.385622 7.308156 6.817369 1.271360 2.287314 23 H 5.846958 6.792301 6.114781 2.070375 2.557258 24 N 7.681537 8.541865 8.086575 2.287131 3.541120 25 C 8.637425 9.457978 9.183559 2.741250 4.118585 26 C 8.313322 9.118219 8.558090 3.604161 4.711338 27 H 9.620292 10.440758 10.102614 3.781215 5.157989 28 H 8.626180 9.546099 9.187966 2.572178 3.882583 29 H 8.608106 9.283411 9.291205 2.925209 4.219329 30 H 9.182788 10.066800 9.350525 4.287306 5.442909 31 H 8.748102 9.399051 9.068962 4.191438 5.307554 32 H 7.719073 8.538762 7.830816 3.790158 4.650346 33 N 5.132938 5.063891 4.953702 7.003149 6.623949 34 H 4.780720 5.212326 4.738023 5.096741 4.861377 35 C 6.443471 6.484269 6.126886 7.590099 7.418208 36 C 5.070660 4.646410 4.867627 8.062864 7.513877 37 H 7.216588 7.072096 6.976702 8.360973 8.243453 38 H 6.687140 6.820862 6.144254 8.160028 7.931578 39 H 6.705906 6.910975 6.459948 6.942640 6.940018 40 H 6.129200 5.618258 5.890448 8.956647 8.490667 41 H 4.716397 4.041301 4.789289 7.912675 7.303350 42 H 4.701751 4.358807 4.253205 8.345764 7.670199 6 7 8 9 10 6 C 0.000000 7 N 1.386270 0.000000 8 C 2.126852 1.290822 0.000000 9 N 2.200372 2.230944 1.378977 0.000000 10 C 1.383290 2.266104 2.193297 1.372299 0.000000 11 N 2.410199 3.539881 3.481783 2.413626 1.317076 12 C 2.631993 3.990632 4.318520 3.514943 2.185410 13 N 2.336862 3.689543 4.396028 3.985942 2.632757 14 H 3.810592 4.206410 3.342479 2.006435 2.482732 15 H 5.540900 5.417236 4.226859 3.398506 4.453279 16 H 4.528480 4.457257 3.462294 2.725638 3.599395 17 N 3.475904 2.386596 1.373284 2.376982 3.495763 18 H 4.804463 4.288176 3.049762 2.790839 4.085250 19 H 5.135228 5.058177 3.940416 3.122795 4.085435 20 C 4.066842 2.750410 2.251814 3.493681 4.426303 21 H 3.707006 5.064681 5.339228 4.421309 3.162780 22 C 2.881381 3.047705 4.324562 4.961299 4.229985 23 H 2.643055 2.451640 3.664122 4.454330 3.957351 24 N 4.200759 4.216178 5.498428 6.248954 5.560761 25 C 5.059566 5.300196 6.588281 7.205730 6.359713 26 C 5.084736 4.745273 5.946335 6.909619 6.449432 27 H 6.060827 6.200707 7.490065 8.183831 7.381635 28 H 5.036766 5.543332 6.806698 7.235046 6.230898 29 H 5.100167 5.312603 6.566788 7.181604 6.369711 30 H 5.934679 5.688105 6.880172 7.796043 7.275327 31 H 5.598492 5.119838 6.286522 7.340931 6.972768 32 H 4.760032 4.228668 5.329107 6.369246 6.069066 33 N 5.397504 4.071027 3.514951 4.657636 5.701616 34 H 3.801711 2.456342 2.479797 3.817311 4.462016 35 C 6.320154 4.962274 4.661526 5.883926 6.808083 36 C 6.191121 4.975109 4.118015 4.978018 6.210223 37 H 7.156512 5.777001 5.473986 6.697945 7.652929 38 H 6.818600 5.523313 5.141529 6.259922 7.216719 39 H 5.984427 4.636573 4.622524 5.934359 6.671831 40 H 7.196749 5.935875 5.157377 6.054471 7.274201 41 H 5.975320 4.838456 3.921601 4.667175 5.908898 42 H 6.306772 5.203581 4.199117 4.849283 6.146455 11 12 13 14 15 11 N 0.000000 12 C 1.320917 0.000000 13 N 2.373248 1.317515 0.000000 14 H 2.466042 3.780168 4.774707 0.000000 15 H 4.762216 6.061355 6.942833 2.454990 0.000000 16 H 4.018504 5.187210 5.914923 2.468268 1.755316 17 N 4.728489 5.660538 5.767311 3.997398 4.110434 18 H 4.851824 6.075736 6.659122 3.039060 1.763759 19 H 4.414302 5.676381 6.521309 2.281575 2.493940 20 C 5.717170 6.503677 6.399412 5.211257 5.308459 21 H 2.036344 1.075349 2.031278 4.290205 6.598814 22 C 4.977526 4.540553 3.422006 6.668285 8.317715 23 H 4.887684 4.708683 3.795547 6.255051 7.791113 24 N 6.289912 5.762749 4.557275 7.997907 9.572649 25 C 6.899128 6.158477 4.862915 8.839640 10.487431 26 C 7.333513 6.962469 5.832393 8.774437 10.155437 27 H 7.944725 7.198362 5.896569 9.858169 11.478210 28 H 6.576580 5.677178 4.359678 8.701322 10.533348 29 H 6.916735 6.212077 4.958682 8.813683 10.327790 30 H 8.082089 7.620766 6.453453 9.607218 11.085297 31 H 7.917293 7.593826 6.470794 9.266654 10.462363 32 H 7.053545 6.852418 5.849579 8.259997 9.552517 33 N 6.972032 7.813453 7.732458 6.191614 5.830187 34 H 5.766781 6.363598 6.060714 5.689862 6.152654 35 C 8.098653 8.833321 8.609195 7.486723 7.229582 36 C 7.387730 8.388810 8.503230 6.147865 5.222035 37 H 8.950543 9.692482 9.453515 8.276022 7.791479 38 H 8.464777 9.239066 9.075457 7.723539 7.466232 39 H 7.974958 8.564810 8.190104 7.696348 7.747122 40 H 8.461721 9.447373 9.520939 7.203044 6.122366 41 H 7.039867 8.063493 8.233293 5.758378 4.647010 42 H 7.242312 8.324375 8.564557 5.764665 4.778711 16 17 18 19 20 16 H 0.000000 17 N 3.614553 0.000000 18 H 1.766117 2.566936 0.000000 19 H 3.596442 3.958603 2.976538 0.000000 20 C 4.845697 1.273913 3.697417 4.970388 0.000000 21 H 5.811932 6.658334 6.844111 6.236668 7.544633 22 C 7.236259 5.322173 7.317951 7.737094 5.234255 23 H 6.860367 4.542332 6.709315 7.048546 4.351098 24 N 8.443951 6.357258 8.479179 9.016224 6.074716 25 C 9.227061 7.528816 9.478197 10.095301 7.340538 26 C 9.121425 6.548242 8.898930 9.499556 5.988919 27 H 10.236731 8.349677 10.409155 11.023746 8.038633 28 H 9.305058 7.878973 9.682614 10.066455 7.827232 29 H 8.943080 7.481493 9.298840 10.197347 7.348933 30 H 10.104837 7.493038 9.867225 10.280568 6.903283 31 H 9.337105 6.763746 9.105572 10.016257 6.128612 32 H 8.652894 5.813338 8.256668 8.766091 5.162985 33 N 5.550372 2.293865 4.152113 5.622406 1.338264 34 H 5.577653 2.060218 4.618265 5.609526 1.079192 35 C 6.988092 3.597940 5.581855 6.794738 2.419381 36 C 5.199078 2.746320 3.606288 5.340219 2.407506 37 H 7.509271 4.346377 6.100626 7.602380 3.237368 38 H 7.458525 4.079610 5.937060 6.738506 3.000528 39 H 7.341128 3.814623 6.099069 7.217870 2.541496 40 H 6.139489 3.794118 4.553475 6.305509 3.286116 41 H 4.439467 2.625078 2.979018 5.244282 2.658965 42 H 5.100455 2.875906 3.371688 4.607766 2.783162 21 22 23 24 25 21 H 0.000000 22 C 5.427651 0.000000 23 H 5.677300 1.078156 0.000000 24 N 6.580556 1.341563 2.039874 0.000000 25 C 6.829054 2.413332 3.361243 1.449954 0.000000 26 C 7.838259 2.428795 2.554948 1.443033 2.486649 27 H 7.847988 3.287390 4.104987 2.069834 1.082401 28 H 6.220862 2.641156 3.664234 2.083702 1.079986 29 H 6.886179 2.816200 3.774224 2.103090 1.084857 30 H 8.430675 3.185586 3.355317 2.090484 2.777807 31 H 8.493173 3.103109 3.261890 2.098466 2.789083 32 H 7.788156 2.519562 2.170945 2.078311 3.394479 33 N 8.844783 6.410079 5.515789 7.119228 8.392319 34 H 7.427520 4.415409 3.482190 5.153859 6.475253 35 C 9.883681 6.788441 5.852839 7.281921 8.602342 36 C 9.364525 7.614253 6.754801 8.413937 9.642596 37 H 10.747883 7.553281 6.679684 7.955051 9.212696 38 H 10.264575 7.340183 6.337282 7.862259 9.240078 39 H 9.629436 6.030341 5.113202 6.395603 7.720021 40 H 10.431104 8.430942 7.567833 9.129505 10.358059 41 H 9.013435 7.601345 6.843948 8.448935 9.580763 42 H 9.253270 7.950450 7.044332 8.845026 10.114481 26 27 28 29 30 26 C 0.000000 27 H 2.529551 0.000000 28 H 3.300207 1.765480 0.000000 29 H 3.084292 1.764484 1.753795 0.000000 30 H 1.085123 2.454545 3.459604 3.577926 0.000000 31 H 1.086607 2.701195 3.790124 3.062069 1.760084 32 H 1.081726 3.576252 4.094711 3.955679 1.755407 33 N 6.840854 9.008722 8.966508 8.372818 7.722791 34 H 4.965684 7.111587 7.001801 6.570024 5.851822 35 C 6.719167 9.066428 9.269761 8.668865 7.488573 36 C 8.231659 10.316347 10.173403 9.554137 9.138069 37 H 7.328476 9.632166 9.950246 9.197390 8.105687 38 H 7.260118 9.683889 9.856532 9.405411 7.938462 39 H 5.726887 8.116928 8.428536 7.834548 6.463730 40 H 8.819751 10.967437 10.957829 10.252981 9.701963 41 H 8.409831 10.316289 10.088784 9.385581 9.380751 42 H 8.716523 10.820583 10.561155 10.099500 9.582711 31 32 33 34 35 31 H 0.000000 32 H 1.756143 0.000000 33 N 6.855321 5.978984 0.000000 34 H 5.145954 4.103529 2.045629 0.000000 35 C 6.675024 5.798481 1.447114 2.559224 0.000000 36 C 8.231896 7.393729 1.450768 3.363103 2.488687 37 H 7.139837 6.474126 2.084440 3.449439 1.083235 38 H 7.325061 6.266298 2.104594 3.142818 1.086545 39 H 5.669949 4.807717 2.083154 2.214792 1.081957 40 H 8.732675 7.976230 2.070106 4.113248 2.541479 41 H 8.365321 7.665354 2.083995 3.680326 3.316559 42 H 8.836063 7.827993 2.103963 3.753108 3.061199 36 37 38 39 40 36 C 0.000000 37 H 2.715645 0.000000 38 H 2.847766 1.760012 0.000000 39 H 3.393794 1.753665 1.759303 0.000000 40 H 1.081630 2.357711 2.834933 3.561748 0.000000 41 H 1.080235 3.453286 3.849400 4.084349 1.761222 42 H 1.084928 3.468762 3.069928 3.973961 1.765795 41 42 41 H 0.000000 42 H 1.756282 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.489554 -2.262852 0.144769 2 6 0 3.475170 -2.117958 -1.005337 3 8 0 3.049039 -1.881323 1.370358 4 7 0 -3.256216 -0.382693 -0.203645 5 6 0 -2.222742 -1.282977 -0.058560 6 6 0 -0.860170 -0.971099 -0.067324 7 7 0 -0.147346 0.212159 -0.183633 8 6 0 1.094763 -0.137530 -0.150398 9 7 0 1.275492 -1.500004 -0.038240 10 6 0 0.014869 -2.038240 0.027594 11 7 0 -0.312380 -3.309437 0.135557 12 6 0 -1.621964 -3.482089 0.137581 13 7 0 -2.564329 -2.566419 0.040928 14 1 0 2.152769 -3.288870 0.198668 15 1 0 4.319079 -2.782413 -0.839396 16 1 0 3.006313 -2.402022 -1.940797 17 7 0 2.191413 0.683748 -0.244051 18 1 0 3.835045 -1.103164 -1.077467 19 1 0 3.773671 -2.457516 1.572389 20 6 0 2.002013 1.916911 0.013423 21 1 0 -1.963412 -4.498111 0.224103 22 6 0 -3.109123 0.807236 0.219188 23 1 0 -2.221551 1.151106 0.725537 24 7 0 -4.069506 1.734848 0.088830 25 6 0 -5.293647 1.404610 -0.614580 26 6 0 -3.849002 3.105585 0.482282 27 1 0 -6.019393 2.187869 -0.437407 28 1 0 -5.684487 0.464009 -0.255577 29 1 0 -5.123289 1.315693 -1.682282 30 1 0 -4.633238 3.444735 1.151194 31 1 0 -3.827759 3.765827 -0.380471 32 1 0 -2.902510 3.194346 0.998427 33 7 0 2.960030 2.841535 -0.121569 34 1 0 1.047584 2.290540 0.351242 35 6 0 2.785535 4.167436 0.431312 36 6 0 4.293818 2.429573 -0.516567 37 1 0 3.218716 4.906955 -0.231155 38 1 0 3.259254 4.259236 1.404834 39 1 0 1.732066 4.388342 0.541019 40 1 0 4.886732 3.312300 -0.714475 41 1 0 4.244396 1.828485 -1.412758 42 1 0 4.773134 1.845431 0.261958 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3221343 0.1988487 0.1278168 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3593820987 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.90D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999999 0.001056 -0.000174 -0.000661 Ang= 0.14 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37898918 A.U. after 13 cycles NFock= 13 Conv=0.58D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000763922 0.000364134 -0.000109481 2 6 -0.000346140 0.000123450 -0.000221804 3 8 -0.000250665 -0.000235464 0.000000863 4 7 -0.000041282 0.000063584 -0.000364500 5 6 -0.000038014 -0.000412694 0.001181913 6 6 -0.000117122 0.000542466 -0.000261005 7 7 0.000922273 -0.000177694 -0.000040301 8 6 -0.001023408 0.000148682 0.000465755 9 7 -0.000141696 0.000279238 0.000438995 10 6 0.000145163 -0.000728910 -0.000240033 11 7 -0.000510250 0.000617513 -0.000448315 12 6 0.000272162 -0.000489337 0.000473174 13 7 -0.000185130 -0.000070527 -0.000284474 14 1 -0.000330386 0.000048511 0.000014419 15 1 0.000069344 -0.000166872 0.000117034 16 1 -0.000003389 0.000088912 -0.000078346 17 7 0.000753737 0.000039180 -0.000464450 18 1 -0.000160387 -0.000104629 0.000060946 19 1 -0.000167609 0.000037059 0.000019751 20 6 -0.000603852 -0.000381518 0.000278125 21 1 -0.000004237 -0.000036326 0.000038522 22 6 0.000062269 -0.000239893 -0.000081168 23 1 -0.000069031 0.000223599 -0.000092413 24 7 0.000174400 0.000004104 -0.000991141 25 6 0.000111840 -0.000193816 0.000140053 26 6 -0.000206940 0.000145515 0.000704611 27 1 0.000097323 -0.000063959 -0.000175854 28 1 0.000135801 -0.000015184 0.000139136 29 1 -0.000180894 0.000157998 0.000175341 30 1 0.000086325 0.000085026 -0.000017244 31 1 -0.000209867 -0.000137208 0.000101950 32 1 0.000149418 0.000046217 -0.000063449 33 7 -0.000041867 0.001169348 0.000400845 34 1 0.000158004 -0.000065703 0.000167984 35 6 0.000590939 -0.000589878 -0.000578554 36 6 -0.000024088 -0.000114390 -0.000326646 37 1 0.000193991 0.000595587 0.000011062 38 1 -0.000526366 -0.000614051 -0.000073009 39 1 0.000408732 0.000122967 0.000065957 40 1 -0.000011452 0.000083216 0.000049815 41 1 0.000097520 0.000116069 -0.000218947 42 1 0.000000911 -0.000264322 0.000084879 ------------------------------------------------------------------- Cartesian Forces: Max 0.001181913 RMS 0.000350746 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001191699 RMS 0.000277344 Search for a local minimum. Step number 13 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 11 12 13 DE= -2.09D-04 DEPred=-2.01D-04 R= 1.04D+00 TightC=F SS= 1.41D+00 RLast= 2.18D-01 DXNew= 2.7656D+00 6.5304D-01 Trust test= 1.04D+00 RLast= 2.18D-01 DXMaxT set to 1.64D+00 ITU= 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00148 0.00241 0.00370 0.00726 0.01186 Eigenvalues --- 0.01194 0.01229 0.01255 0.01434 0.01521 Eigenvalues --- 0.01609 0.02034 0.02110 0.02134 0.02239 Eigenvalues --- 0.02328 0.02445 0.02571 0.02588 0.02631 Eigenvalues --- 0.02712 0.02806 0.02906 0.03276 0.03487 Eigenvalues --- 0.03907 0.05419 0.05489 0.05712 0.05962 Eigenvalues --- 0.06679 0.07422 0.07475 0.07567 0.07577 Eigenvalues --- 0.07634 0.07795 0.07798 0.07889 0.08405 Eigenvalues --- 0.15537 0.15819 0.15906 0.15977 0.15985 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16001 0.16002 0.16009 0.16016 Eigenvalues --- 0.16084 0.16236 0.16664 0.17045 0.18444 Eigenvalues --- 0.20873 0.22081 0.22347 0.22844 0.23600 Eigenvalues --- 0.23734 0.24073 0.24315 0.24711 0.24861 Eigenvalues --- 0.24936 0.24982 0.26081 0.26178 0.27206 Eigenvalues --- 0.27682 0.32551 0.32802 0.32999 0.33213 Eigenvalues --- 0.33345 0.33390 0.33530 0.33559 0.33593 Eigenvalues --- 0.33615 0.33656 0.33669 0.33689 0.33729 Eigenvalues --- 0.33788 0.33804 0.34678 0.36014 0.37384 Eigenvalues --- 0.37653 0.39075 0.39737 0.39784 0.40020 Eigenvalues --- 0.40175 0.40435 0.40786 0.41858 0.43193 Eigenvalues --- 0.45387 0.47468 0.48792 0.50142 0.52360 Eigenvalues --- 0.53239 0.54868 0.59419 0.60418 0.65927 Eigenvalues --- 0.70782 0.71754 0.74693 0.76371 0.87565 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 9 8 7 6 RFO step: Lambda=-4.01767021D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.50650 0.74580 -0.89082 -0.43615 0.20962 RFO-DIIS coefs: 0.00115 -0.24735 0.11124 Iteration 1 RMS(Cart)= 0.07675640 RMS(Int)= 0.00643540 Iteration 2 RMS(Cart)= 0.00703900 RMS(Int)= 0.00007243 Iteration 3 RMS(Cart)= 0.00007869 RMS(Int)= 0.00004235 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00004235 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87535 -0.00017 -0.00009 0.00001 -0.00008 2.87527 R2 2.64606 0.00018 -0.00413 0.00406 -0.00008 2.64598 R3 2.73154 -0.00047 0.00100 -0.00181 -0.00080 2.73073 R4 2.04321 -0.00023 0.00099 -0.00099 0.00000 2.04322 R5 2.05383 0.00015 -0.00101 0.00090 -0.00011 2.05372 R6 2.04894 0.00003 -0.00121 0.00103 -0.00017 2.04877 R7 2.03926 0.00020 -0.00041 0.00066 0.00025 2.03951 R8 1.79066 -0.00016 0.00208 -0.00222 -0.00014 1.79053 R9 2.60455 0.00001 -0.00354 0.00202 -0.00152 2.60303 R10 2.40252 -0.00011 0.00318 -0.00121 0.00198 2.40450 R11 2.64153 -0.00044 0.00190 -0.00276 -0.00086 2.64067 R12 2.51682 -0.00005 0.00580 -0.00190 0.00390 2.52072 R13 2.61967 -0.00010 0.00285 -0.00144 0.00141 2.62108 R14 2.61404 0.00002 0.00160 -0.00022 0.00139 2.61543 R15 2.43930 -0.00048 0.00265 -0.00204 0.00060 2.43990 R16 2.60589 -0.00068 -0.00067 -0.00097 -0.00164 2.60425 R17 2.59513 -0.00063 0.00243 -0.00312 -0.00069 2.59445 R18 2.59327 -0.00045 0.00488 -0.00353 0.00135 2.59462 R19 2.48891 -0.00020 -0.00041 -0.00136 -0.00177 2.48714 R20 2.49617 -0.00082 0.00807 -0.00444 0.00363 2.49980 R21 2.48974 -0.00004 -0.00408 0.00109 -0.00298 2.48676 R22 2.03211 -0.00004 0.00066 -0.00068 -0.00002 2.03210 R23 2.40735 -0.00024 0.00084 -0.00129 -0.00045 2.40690 R24 2.52895 -0.00094 0.00169 -0.00197 -0.00028 2.52867 R25 2.03938 -0.00024 0.00060 -0.00080 -0.00019 2.03918 R26 2.03742 -0.00023 -0.00073 -0.00019 -0.00092 2.03650 R27 2.53519 -0.00014 -0.00292 0.00124 -0.00169 2.53350 R28 2.74002 -0.00013 -0.00067 -0.00000 -0.00067 2.73934 R29 2.72694 0.00005 -0.00248 0.00187 -0.00062 2.72632 R30 2.04544 -0.00005 0.00051 -0.00029 0.00022 2.04566 R31 2.04088 0.00000 -0.00219 0.00056 -0.00162 2.03925 R32 2.05008 0.00020 0.00032 0.00102 0.00135 2.05143 R33 2.05059 -0.00002 0.00005 0.00014 0.00019 2.05078 R34 2.05339 0.00018 -0.00004 0.00026 0.00023 2.05361 R35 2.04417 -0.00000 -0.00125 0.00085 -0.00040 2.04377 R36 2.73465 -0.00025 -0.00354 0.00015 -0.00340 2.73125 R37 2.74155 -0.00012 -0.00159 0.00019 -0.00140 2.74016 R38 2.04702 -0.00025 0.00278 -0.00101 0.00177 2.04878 R39 2.05327 0.00048 -0.00109 0.00175 0.00066 2.05393 R40 2.04460 -0.00018 -0.00121 -0.00021 -0.00142 2.04318 R41 2.04398 -0.00002 0.00077 -0.00006 0.00071 2.04469 R42 2.04135 -0.00002 -0.00160 0.00035 -0.00125 2.04010 R43 2.05022 0.00009 0.00054 0.00038 0.00091 2.05113 A1 1.95716 0.00010 -0.00241 0.00222 -0.00021 1.95695 A2 1.98025 -0.00048 0.00719 -0.00815 -0.00097 1.97928 A3 1.90690 0.00023 -0.00362 0.00442 0.00079 1.90769 A4 1.87823 -0.00006 -0.00080 -0.00037 -0.00118 1.87705 A5 1.91706 0.00009 -0.00466 0.00604 0.00137 1.91843 A6 1.81883 0.00013 0.00454 -0.00426 0.00029 1.81912 A7 1.90641 0.00020 -0.00097 0.00143 0.00045 1.90686 A8 1.92526 -0.00018 -0.00195 0.00116 -0.00079 1.92447 A9 1.93488 -0.00003 0.00126 -0.00146 -0.00020 1.93468 A10 1.88318 0.00002 -0.00040 0.00061 0.00021 1.88338 A11 1.90305 -0.00008 0.00173 -0.00156 0.00017 1.90322 A12 1.91018 0.00007 0.00033 -0.00015 0.00018 1.91036 A13 1.90338 0.00004 -0.00348 0.00305 -0.00043 1.90295 A14 2.08242 0.00068 -0.00320 0.00441 0.00121 2.08364 A15 2.19508 0.00080 0.00730 -0.00100 0.00629 2.20138 A16 2.03198 -0.00070 -0.00552 0.00121 -0.00432 2.02766 A17 2.05497 -0.00008 -0.00142 -0.00014 -0.00155 2.05343 A18 2.33532 0.00028 0.00088 -0.00060 0.00027 2.33559 A19 2.03093 -0.00003 -0.00018 0.00014 -0.00004 2.03089 A20 1.91661 -0.00024 -0.00072 0.00046 -0.00026 1.91635 A21 1.83527 0.00011 0.00110 -0.00147 -0.00037 1.83490 A22 1.97781 0.00000 -0.00072 0.00143 0.00072 1.97853 A23 2.22013 0.00107 -0.00426 0.00309 -0.00116 2.21898 A24 2.08492 -0.00107 0.00503 -0.00461 0.00044 2.08535 A25 2.26766 -0.00079 -0.00099 -0.00135 -0.00234 2.26531 A26 2.16336 0.00056 -0.00051 0.00175 0.00123 2.16459 A27 1.84526 0.00022 0.00098 -0.00048 0.00049 1.84574 A28 1.84963 -0.00009 -0.00064 0.00002 -0.00062 1.84901 A29 2.20561 -0.00005 0.00140 0.00045 0.00184 2.20746 A30 2.22778 0.00013 -0.00078 -0.00047 -0.00126 2.22652 A31 1.95262 0.00013 -0.00030 -0.00118 -0.00148 1.95114 A32 2.23721 -0.00003 -0.00156 0.00162 0.00005 2.23726 A33 2.02463 -0.00002 0.00001 -0.00132 -0.00133 2.02330 A34 2.02133 0.00005 0.00160 -0.00030 0.00129 2.02262 A35 2.08492 0.00006 0.00207 -0.00088 0.00120 2.08612 A36 2.03353 -0.00001 0.00035 -0.00262 -0.00227 2.03126 A37 2.14360 -0.00016 0.00153 -0.00114 0.00037 2.14397 A38 2.12927 0.00006 0.00025 -0.00023 0.00001 2.12928 A39 2.01029 0.00010 -0.00172 0.00133 -0.00040 2.00988 A40 2.15311 0.00032 0.00205 -0.00126 0.00079 2.15390 A41 2.13177 -0.00050 -0.00225 0.00156 -0.00068 2.13109 A42 1.99811 0.00018 0.00007 -0.00018 -0.00011 1.99800 A43 2.08752 -0.00023 0.00701 -0.00293 0.00416 2.09168 A44 2.11872 0.00017 0.00179 -0.00050 0.00136 2.12008 A45 2.06875 0.00004 -0.00744 0.00189 -0.00549 2.06326 A46 1.89848 -0.00012 0.00128 -0.00161 -0.00033 1.89815 A47 1.92051 -0.00007 -0.00524 0.00152 -0.00372 1.91679 A48 1.94287 0.00021 0.00137 0.00113 0.00250 1.94537 A49 1.91047 0.00004 0.00291 -0.00098 0.00193 1.91240 A50 1.90254 -0.00002 -0.00188 0.00024 -0.00164 1.90090 A51 1.88873 -0.00004 0.00162 -0.00033 0.00130 1.89003 A52 1.93320 -0.00020 -0.00039 -0.00018 -0.00057 1.93263 A53 1.94301 0.00039 -0.00109 0.00127 0.00019 1.94320 A54 1.91957 -0.00026 -0.00155 0.00091 -0.00064 1.91893 A55 1.88985 -0.00002 0.00028 -0.00042 -0.00014 1.88971 A56 1.88871 0.00011 0.00164 -0.00056 0.00107 1.88978 A57 1.88798 -0.00001 0.00127 -0.00112 0.00015 1.88812 A58 2.10387 -0.00016 0.01146 -0.00219 0.00907 2.11294 A59 2.08221 0.00015 0.00362 0.00026 0.00372 2.08593 A60 2.06583 0.00001 -0.01911 0.00278 -0.01643 2.04940 A61 1.92159 -0.00064 0.01016 -0.00671 0.00343 1.92502 A62 1.94674 0.00119 -0.01164 0.01064 -0.00102 1.94572 A63 1.92114 -0.00070 0.00021 -0.00453 -0.00438 1.91676 A64 1.89222 -0.00005 0.00085 0.00077 0.00164 1.89386 A65 1.88808 0.00021 0.00425 -0.00178 0.00241 1.89049 A66 1.89274 -0.00002 -0.00340 0.00147 -0.00198 1.89075 A67 1.89868 -0.00003 -0.00066 -0.00086 -0.00152 1.89716 A68 1.91966 -0.00023 -0.00072 -0.00064 -0.00136 1.91830 A69 1.94302 0.00027 -0.00078 0.00214 0.00136 1.94438 A70 1.90435 0.00011 0.00035 0.00042 0.00077 1.90511 A71 1.90554 -0.00011 -0.00018 -0.00056 -0.00074 1.90480 A72 1.89224 -0.00002 0.00201 -0.00051 0.00150 1.89375 D1 1.09396 0.00019 -0.00970 0.00209 -0.00761 1.08635 D2 -3.12215 0.00024 -0.01195 0.00440 -0.00756 -3.12971 D3 -1.00344 0.00018 -0.01201 0.00401 -0.00799 -1.01144 D4 -3.05666 -0.00016 -0.00722 -0.00285 -0.01007 -3.06672 D5 -0.98959 -0.00012 -0.00948 -0.00054 -0.01001 -0.99960 D6 1.12912 -0.00017 -0.00953 -0.00092 -0.01045 1.11868 D7 -1.03572 -0.00014 0.00038 -0.01014 -0.00977 -1.04548 D8 1.03135 -0.00010 -0.00188 -0.00783 -0.00971 1.02165 D9 -3.13312 -0.00015 -0.00193 -0.00821 -0.01015 3.13992 D10 -1.09720 -0.00030 0.01356 -0.00543 0.00813 -1.08907 D11 2.99635 0.00028 0.00663 0.00373 0.01036 3.00671 D12 1.02667 0.00012 0.00403 0.00592 0.00996 1.03663 D13 -1.08866 0.00005 -0.02844 0.00927 -0.01917 -1.10784 D14 2.19757 0.00014 -0.02299 0.01016 -0.01284 2.18473 D15 1.08715 -0.00020 -0.02725 0.00625 -0.02099 1.06616 D16 -1.90980 -0.00010 -0.02180 0.00714 -0.01465 -1.92445 D17 3.12217 -0.00006 -0.03072 0.01091 -0.01981 3.10237 D18 0.12523 0.00003 -0.02526 0.01180 -0.01347 0.11175 D19 -0.54306 -0.00004 0.02146 -0.00292 0.01853 -0.52453 D20 2.65137 -0.00027 0.01229 -0.00441 0.00788 2.65926 D21 -0.04050 -0.00008 -0.00630 0.00543 -0.00087 -0.04138 D22 3.12330 -0.00010 0.00038 -0.00140 -0.00102 3.12229 D23 0.02420 -0.00014 -0.00358 -0.00341 -0.00705 0.01714 D24 -3.08671 -0.00020 -0.00240 -0.00323 -0.00571 -3.09241 D25 3.11232 0.00008 0.00554 -0.00188 0.00366 3.11598 D26 0.00142 0.00002 0.00672 -0.00169 0.00501 0.00643 D27 3.10305 0.00017 0.00145 0.00223 0.00353 3.10658 D28 0.00989 -0.00007 -0.00735 0.00090 -0.00643 0.00346 D29 -3.11908 0.00004 0.00529 -0.00201 0.00327 -3.11581 D30 -0.00672 0.00010 0.00417 -0.00219 0.00199 -0.00473 D31 3.11294 -0.00008 -0.00477 0.00060 -0.00418 3.10876 D32 -0.01030 0.00002 -0.00353 0.00129 -0.00225 -0.01254 D33 -0.00511 -0.00013 -0.00389 0.00075 -0.00315 -0.00826 D34 -3.12835 -0.00004 -0.00265 0.00145 -0.00122 -3.12957 D35 0.01649 -0.00002 -0.00285 0.00286 -0.00001 0.01649 D36 3.13026 0.00008 0.00122 -0.00132 -0.00009 3.13017 D37 -3.03704 -0.00002 0.00527 -0.00187 0.00340 -3.03364 D38 -0.01998 -0.00007 0.00051 -0.00246 -0.00195 -0.02193 D39 0.13000 -0.00015 0.00167 0.00183 0.00350 0.13351 D40 -3.13613 -0.00020 -0.00308 0.00123 -0.00185 -3.13797 D41 0.34793 0.00001 0.05027 0.00321 0.05349 0.40142 D42 -2.82301 0.00014 0.05451 -0.00110 0.05340 -2.76960 D43 3.04068 -0.00004 -0.00233 0.00007 -0.00228 3.03841 D44 -0.11957 -0.00014 -0.00357 -0.00063 -0.00419 -0.12377 D45 0.01418 0.00012 0.00211 0.00089 0.00300 0.01718 D46 3.13711 0.00002 0.00087 0.00019 0.00109 3.13819 D47 0.00644 0.00001 0.00068 -0.00001 0.00066 0.00710 D48 -3.11287 0.00012 0.00218 0.00082 0.00299 -3.10988 D49 0.00684 -0.00007 -0.00123 -0.00096 -0.00217 0.00468 D50 -3.14053 0.00000 0.00367 -0.00111 0.00252 -3.13801 D51 -0.01535 0.00011 0.00484 0.00050 0.00532 -0.01002 D52 3.13202 0.00003 0.00002 0.00066 0.00064 3.13266 D53 -3.06483 0.00038 0.00724 0.00906 0.01630 -3.04854 D54 0.06879 0.00014 0.01088 0.00177 0.01265 0.08144 D55 -2.92356 -0.00012 0.02426 -0.00745 0.01697 -2.90658 D56 -0.05234 -0.00010 0.00291 -0.00341 -0.00066 -0.05300 D57 0.22550 0.00011 0.02082 -0.00060 0.02039 0.24589 D58 3.09672 0.00012 -0.00052 0.00344 0.00275 3.09948 D59 -0.05607 -0.00001 0.00474 -0.00154 0.00328 -0.05279 D60 -3.05846 0.00013 -0.00780 0.01140 0.00354 -3.05492 D61 3.10591 -0.00003 0.01085 -0.00779 0.00313 3.10904 D62 0.10352 0.00011 -0.00169 0.00515 0.00339 0.10692 D63 2.93352 -0.00015 -0.09525 -0.00063 -0.09586 2.83767 D64 0.84079 -0.00009 -0.09645 0.00065 -0.09578 0.74501 D65 -1.25304 -0.00012 -0.09591 -0.00067 -0.09656 -1.34960 D66 -0.34330 -0.00028 -0.08220 -0.01337 -0.09559 -0.43889 D67 -2.43603 -0.00021 -0.08340 -0.01210 -0.09552 -2.53154 D68 1.75333 -0.00025 -0.08286 -0.01342 -0.09630 1.65703 D69 -2.23005 -0.00003 0.02021 -0.00704 0.01314 -2.21691 D70 1.94931 -0.00013 0.02084 -0.00723 0.01358 1.96289 D71 -0.14304 -0.00019 0.02098 -0.00725 0.01370 -0.12935 D72 1.04929 0.00013 0.00650 0.00614 0.01266 1.06195 D73 -1.05453 0.00004 0.00712 0.00594 0.01310 -1.04143 D74 3.13630 -0.00003 0.00726 0.00592 0.01322 -3.13367 D75 -2.49392 0.00056 0.17915 0.00368 0.18281 -2.31112 D76 1.68780 0.00027 0.17880 0.00025 0.17910 1.86691 D77 -0.41400 -0.00002 0.19069 -0.00553 0.18518 -0.22881 D78 0.91555 0.00052 0.19713 0.00005 0.19713 1.11268 D79 -1.18590 0.00023 0.19678 -0.00338 0.19342 -0.99248 D80 2.99548 -0.00005 0.20867 -0.00915 0.19950 -3.08820 D81 2.99820 -0.00017 -0.05275 -0.00855 -0.06141 2.93679 D82 0.91334 -0.00016 -0.05234 -0.00815 -0.06061 0.85273 D83 -1.18443 -0.00015 -0.05389 -0.00848 -0.06247 -1.24690 D84 -0.40788 -0.00019 -0.06934 -0.00536 -0.07459 -0.48247 D85 -2.49274 -0.00017 -0.06894 -0.00496 -0.07379 -2.56653 D86 1.69268 -0.00017 -0.07048 -0.00528 -0.07565 1.61702 Item Value Threshold Converged? Maximum Force 0.001192 0.000450 NO RMS Force 0.000277 0.000300 YES Maximum Displacement 0.503172 0.001800 NO RMS Displacement 0.077539 0.001200 NO Predicted change in Energy=-2.284744D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.945196 -4.946478 2.060354 2 6 0 7.181820 -5.221762 3.537947 3 8 0 6.818671 -6.126729 1.317697 4 7 0 2.984971 -0.800629 0.101899 5 6 0 4.214240 -1.391860 0.293621 6 6 0 4.454503 -2.594968 0.962562 7 7 0 3.637815 -3.527529 1.584786 8 6 0 4.443143 -4.421026 2.053991 9 7 0 5.770356 -4.144195 1.806899 10 6 0 5.779701 -2.973379 1.089777 11 7 0 6.827196 -2.320426 0.633019 12 6 0 6.478749 -1.204205 0.014530 13 7 0 5.269281 -0.719019 -0.168417 14 1 0 7.761232 -4.352757 1.672250 15 1 0 8.117497 -5.761695 3.656563 16 1 0 7.263184 -4.289443 4.085273 17 7 0 4.108868 -5.545685 2.766954 18 1 0 6.379221 -5.812761 3.951908 19 1 0 7.628825 -6.614944 1.373047 20 6 0 2.921110 -5.979782 2.615174 21 1 0 7.285469 -0.618755 -0.388965 22 6 0 1.948064 -1.532185 0.008810 23 1 0 1.977360 -2.609137 0.035092 24 7 0 0.722774 -1.013693 -0.156202 25 6 0 0.543689 0.424754 -0.167661 26 6 0 -0.454485 -1.847636 -0.154422 27 1 0 -0.418424 0.652232 -0.608604 28 1 0 1.326362 0.886364 -0.749772 29 1 0 0.577148 0.837173 0.835958 30 1 0 -1.050408 -1.672875 -1.044391 31 1 0 -1.075925 -1.652555 0.715479 32 1 0 -0.167953 -2.890366 -0.137465 33 7 0 2.425935 -7.001596 3.323165 34 1 0 2.236682 -5.537484 1.907809 35 6 0 1.194264 -7.650464 2.934714 36 6 0 3.280793 -7.699782 4.263556 37 1 0 0.541537 -7.762951 3.793037 38 1 0 1.379096 -8.633949 2.510531 39 1 0 0.682021 -7.051627 2.194439 40 1 0 2.666076 -8.341626 4.880719 41 1 0 3.793183 -6.988019 4.893102 42 1 0 4.023163 -8.303552 3.751241 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521530 0.000000 3 O 1.400193 2.424944 0.000000 4 N 6.058629 6.997598 6.674036 0.000000 5 C 4.818171 5.830980 5.500071 1.377466 0.000000 6 C 3.596984 4.579400 4.264826 2.473847 1.397383 7 N 3.630199 4.386938 4.116433 3.171931 2.561339 8 C 2.556640 3.216155 3.015739 4.363967 3.511004 9 N 1.445041 2.479900 2.295370 4.673846 3.505262 10 C 2.488677 3.607588 3.327915 3.675223 2.363416 11 N 2.991213 4.120935 3.867402 4.165881 2.793737 12 C 4.290405 5.389762 5.103434 3.518094 2.289346 13 N 5.064338 6.137559 5.818288 2.301695 1.333906 14 H 1.081224 2.138156 2.039879 6.155995 4.821688 15 H 2.141671 1.086780 2.700092 7.974374 6.755758 16 H 2.152465 1.084161 3.351520 6.807510 5.662921 17 N 2.983804 3.184712 3.127457 5.557087 4.835570 18 H 2.156096 1.079263 2.689007 7.173909 6.133072 19 H 1.929643 2.612960 0.947507 7.549004 6.332864 20 C 4.191516 4.424901 4.110476 5.757105 5.301964 21 H 4.984389 6.051368 5.785186 4.332240 3.239762 22 C 6.390427 7.311634 6.822451 1.272406 2.288310 23 H 5.851858 6.795748 6.120197 2.071340 2.559733 24 N 7.687552 8.548324 8.091692 2.286821 3.540577 25 C 8.648321 9.469922 9.192584 2.744828 4.121384 26 C 8.322459 9.128606 8.566012 3.604412 4.712267 27 H 9.627657 10.462379 10.101509 3.768118 5.143335 28 H 8.572639 9.485785 9.144580 2.514413 3.823455 29 H 8.689177 9.361256 9.364006 3.003140 4.300134 30 H 9.180718 10.067868 9.345516 4.284749 5.439279 31 H 8.774792 9.428462 9.094258 4.194417 5.313358 32 H 7.723657 8.541850 7.836099 3.790149 4.651341 33 N 5.122687 5.082556 4.907486 7.010069 6.621579 34 H 4.747911 5.216457 4.657259 5.124358 4.868526 35 C 6.414769 6.489476 6.047351 7.625727 7.434094 36 C 5.085531 4.678151 4.865096 8.062581 7.511431 37 H 7.207049 7.114497 6.943122 8.250382 8.144044 38 H 6.691903 6.809567 6.107207 8.351123 8.087063 39 H 6.608857 6.884824 6.267582 6.982641 6.937049 40 H 6.147549 5.650534 5.902961 8.933390 8.469802 41 H 4.703992 4.054500 4.762239 7.867187 7.255999 42 H 4.761022 4.418149 4.298321 8.407699 7.730663 6 7 8 9 10 6 C 0.000000 7 N 1.387015 0.000000 8 C 2.127400 1.291140 0.000000 9 N 2.201017 2.230996 1.378109 0.000000 10 C 1.384026 2.267111 2.193576 1.373012 0.000000 11 N 2.411150 3.540496 3.480717 2.412683 1.316139 12 C 2.632595 3.991797 4.318683 3.515388 2.185132 13 N 2.337127 3.690952 4.396186 3.985572 2.631676 14 H 3.811552 4.206093 3.340673 2.006294 2.483631 15 H 5.541058 5.417685 4.226879 3.398034 4.452908 16 H 4.528935 4.469480 3.477938 2.727750 3.592456 17 N 3.475920 2.385867 1.372922 2.376220 3.495906 18 H 4.795301 4.282623 3.047526 2.784940 4.075942 19 H 5.138582 5.050260 3.927535 3.121976 4.093959 20 C 4.066864 2.754798 2.249718 3.484378 4.420049 21 H 3.707615 5.065771 5.338924 4.421099 3.162004 22 C 2.884682 3.052926 4.330542 4.966452 4.234026 23 H 2.645116 2.449919 3.665921 4.458982 3.962680 24 N 4.204506 4.224675 5.507815 6.255550 5.564652 25 C 5.068588 5.316505 6.604775 7.217494 6.367438 26 C 5.089629 4.753294 5.957028 6.918787 6.456036 27 H 6.062862 6.223699 7.514133 8.193984 7.378774 28 H 4.983676 5.502311 6.763416 7.182769 6.173636 29 H 5.179721 5.383220 6.639140 7.261279 6.453781 30 H 5.931455 5.686101 6.879782 7.794876 7.272989 31 H 5.615588 5.146898 6.317923 7.366887 6.991729 32 H 4.760716 4.225635 5.329879 6.373080 6.073516 33 N 5.394988 4.069368 3.512730 4.652844 5.697570 34 H 3.804027 2.471323 2.477160 3.799775 4.449359 35 C 6.330606 4.979140 4.664778 5.874224 6.804788 36 C 6.191387 4.971013 4.121101 4.987513 6.217419 37 H 7.073255 5.692285 5.423585 6.661883 7.595128 38 H 6.951519 5.659889 5.229296 6.319506 7.309303 39 H 5.967491 4.639791 4.591931 5.873202 6.621082 40 H 7.181539 5.914642 5.149706 6.058330 7.272138 41 H 5.931727 4.789999 3.882326 4.639095 5.876127 42 H 6.367944 5.258557 4.258058 4.912576 6.211245 11 12 13 14 15 11 N 0.000000 12 C 1.322836 0.000000 13 N 2.373585 1.315936 0.000000 14 H 2.466331 3.782351 4.775136 0.000000 15 H 4.759099 6.059754 6.940561 2.459580 0.000000 16 H 3.998146 5.167686 5.900631 2.464699 1.755326 17 N 4.727079 5.660443 5.767119 3.995149 4.111834 18 H 4.838606 6.062313 6.644942 3.039475 1.763928 19 H 4.430929 5.695994 6.534944 2.285727 2.486218 20 C 5.707656 6.498175 6.398274 5.192600 5.304196 21 H 2.037192 1.075340 2.030692 4.291588 6.596090 22 C 4.981656 4.542544 3.423906 6.672000 8.322065 23 H 4.895078 4.715587 3.801409 6.258887 7.794547 24 N 6.292408 5.761657 4.556063 8.002030 9.579282 25 C 6.903591 6.157242 4.862040 8.848887 10.500448 26 C 7.339378 6.965075 5.833992 8.781250 10.164760 27 H 7.929523 7.169773 5.867204 9.856925 11.497481 28 H 6.515734 5.612640 4.296724 8.644196 10.475304 29 H 7.005335 6.298480 5.044463 8.902012 10.409502 30 H 8.080202 7.617687 6.451018 9.602442 11.084579 31 H 7.931720 7.600358 6.474133 9.289878 10.490663 32 H 7.060495 6.858927 5.854846 8.263512 9.554468 33 N 6.965726 7.809104 7.729588 6.181202 5.834586 34 H 5.748685 6.352712 6.060114 5.655061 6.139414 35 C 8.089316 8.832186 8.618591 7.456122 7.212466 36 C 7.395623 8.394859 8.504559 6.163747 5.245791 37 H 8.894735 9.620018 9.362780 8.261426 7.837016 38 H 8.547948 9.350806 9.217180 7.730652 7.414127 39 H 7.911098 8.517417 8.168719 7.594196 7.686874 40 H 8.462431 9.442408 9.506555 7.222602 6.154072 41 H 7.009991 8.029025 8.191349 5.750123 4.661823 42 H 7.306416 8.390092 8.627959 5.822727 4.820122 16 17 18 19 20 16 H 0.000000 17 N 3.642227 0.000000 18 H 1.766260 2.574869 0.000000 19 H 3.591353 3.934005 2.975824 0.000000 20 C 4.885902 1.273674 3.711237 4.910080 0.000000 21 H 5.787335 6.657721 6.829507 6.259143 7.537446 22 C 7.243654 5.327721 7.314814 7.743813 5.246054 23 H 6.867847 4.541993 6.706790 7.055188 4.348417 24 N 8.455626 6.367843 8.479565 9.022537 6.097151 25 C 9.244604 7.547754 9.483188 10.105953 7.376610 26 C 9.137825 6.560044 8.904139 9.507907 6.011650 27 H 10.269359 8.384803 10.430838 11.022568 8.094989 28 H 9.241888 7.840979 9.618495 10.024821 7.810893 29 H 9.030134 7.546036 9.359210 10.273688 7.425002 30 H 10.113144 7.492871 9.864129 10.276047 6.907591 31 H 9.372802 6.800520 9.130223 10.041433 6.189509 32 H 8.660873 5.811846 8.254020 8.771766 5.163703 33 N 5.597818 2.293755 4.175777 5.569787 1.338115 34 H 5.618246 2.059922 4.627607 5.524681 1.079090 35 C 7.032214 3.599049 5.594248 6.701842 2.423898 36 C 5.246107 2.750575 3.641185 5.332663 2.409343 37 H 7.571737 4.323768 6.156869 7.576538 3.198347 38 H 7.481780 4.129744 5.919284 6.665536 3.071377 39 H 7.383537 3.786676 6.089464 7.008814 2.517814 40 H 6.179509 3.790375 4.587516 6.317759 3.282689 41 H 4.469431 2.588531 2.992436 5.219399 2.639320 42 H 5.169370 2.929505 3.434431 4.637673 2.811597 21 22 23 24 25 21 H 0.000000 22 C 5.429592 0.000000 23 H 5.684845 1.077672 0.000000 24 N 6.578687 1.340671 2.038633 0.000000 25 C 6.825648 2.415164 3.361698 1.449597 0.000000 26 C 7.840410 2.428661 2.555321 1.442707 2.481992 27 H 7.811121 3.279198 4.097640 2.069373 1.082515 28 H 6.156827 2.609854 3.641200 2.080110 1.079126 29 H 6.972928 2.859622 3.805133 2.105064 1.085569 30 H 8.427786 3.181172 3.348021 2.089874 2.776661 31 H 8.497143 3.107793 3.271165 2.098402 2.778182 32 H 7.795958 2.518646 2.170537 2.077414 3.390776 33 N 8.839436 6.413094 5.505119 7.131741 8.418989 34 H 7.413455 4.442063 3.485618 5.197764 6.536213 35 C 9.878995 6.823670 5.868221 7.336402 8.675086 36 C 9.371463 7.610407 6.744887 8.413175 9.650673 37 H 10.677513 7.424361 6.538006 7.821881 9.095363 38 H 10.369940 7.550986 6.540953 8.100033 9.483180 39 H 9.573993 6.069933 5.106505 6.479492 7.841869 40 H 10.428380 8.403543 7.537630 9.101956 10.336348 41 H 8.981304 7.551616 6.787642 8.403301 9.545666 42 H 9.318801 8.010197 7.100805 8.905208 10.180759 26 27 28 29 30 26 C 0.000000 27 H 2.541047 0.000000 28 H 3.316717 1.766076 0.000000 29 H 3.041927 1.764122 1.754503 0.000000 30 H 1.085223 2.448558 3.505073 3.533411 0.000000 31 H 1.086726 2.738165 3.789993 2.990972 1.760173 32 H 1.081514 3.582556 4.107503 3.923936 1.755997 33 N 6.852279 9.062575 8.945266 8.429147 7.717238 34 H 5.011003 7.189889 7.011222 6.673768 5.869893 35 C 6.777458 9.170094 9.298941 8.765021 7.523523 36 C 8.229121 10.352694 10.132875 9.588416 9.124539 37 H 7.180907 9.545222 9.801209 9.094378 7.938766 38 H 7.517848 9.959580 10.063236 9.651397 8.185139 39 H 5.821538 8.271485 8.490892 8.005600 6.513240 40 H 8.789906 10.978902 10.892799 10.245686 9.663924 41 H 8.363236 10.314060 9.996657 9.382800 9.325500 42 H 8.773961 10.906054 10.582363 10.194447 9.628348 31 32 33 34 35 31 H 0.000000 32 H 1.756161 0.000000 33 N 6.904729 5.967112 0.000000 34 H 5.242870 4.119787 2.045158 0.000000 35 C 6.786286 5.826873 1.445315 2.570185 0.000000 36 C 8.254622 7.375182 1.450028 3.363814 2.474239 37 H 7.030254 6.300341 2.086000 3.373470 1.084170 38 H 7.615064 6.511067 2.102575 3.269070 1.086893 39 H 5.867510 4.845237 2.077922 2.189008 1.081206 40 H 8.723271 7.932851 2.068653 4.109232 2.535916 41 H 8.344335 7.601840 2.081888 3.665887 3.320918 42 H 8.913603 7.873378 2.104632 3.773711 3.015942 36 37 38 39 40 36 C 0.000000 37 H 2.780091 0.000000 38 H 2.749948 1.762092 0.000000 39 H 3.384519 1.755344 1.757718 0.000000 40 H 1.082004 2.455928 2.712851 3.580038 0.000000 41 H 1.079574 3.519072 3.770086 4.119000 1.761470 42 H 1.085411 3.523594 2.939322 3.892837 1.766028 41 42 41 H 0.000000 42 H 1.757090 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.483726 -2.264861 0.145630 2 6 0 3.456210 -2.148900 -1.018792 3 8 0 3.057897 -1.854833 1.355071 4 7 0 -3.262827 -0.376014 -0.195511 5 6 0 -2.227023 -1.272731 -0.052606 6 6 0 -0.863826 -0.965805 -0.065653 7 7 0 -0.146323 0.214361 -0.192970 8 6 0 1.094662 -0.140677 -0.162183 9 7 0 1.270705 -1.502153 -0.041455 10 6 0 0.008041 -2.035895 0.035747 11 7 0 -0.320952 -3.304590 0.155746 12 6 0 -1.632986 -3.473153 0.162723 13 7 0 -2.571547 -2.556197 0.062817 14 1 0 2.144288 -3.288171 0.227256 15 1 0 4.305121 -2.804398 -0.843396 16 1 0 2.977974 -2.461981 -1.940028 17 7 0 2.193296 0.676112 -0.265970 18 1 0 3.810145 -1.134778 -1.124124 19 1 0 3.788549 -2.422775 1.558436 20 6 0 2.020063 1.899655 0.042540 21 1 0 -1.976182 -4.487452 0.261575 22 6 0 -3.111471 0.821833 0.206074 23 1 0 -2.217958 1.175792 0.693644 24 7 0 -4.075035 1.744628 0.074199 25 6 0 -5.311703 1.404826 -0.601462 26 6 0 -3.852537 3.123101 0.437118 27 1 0 -6.061970 2.142106 -0.345810 28 1 0 -5.643703 0.427271 -0.287337 29 1 0 -5.184583 1.391341 -1.679479 30 1 0 -4.619745 3.468548 1.122514 31 1 0 -3.861041 3.768486 -0.437170 32 1 0 -2.891996 3.226193 0.923335 33 7 0 2.971516 2.828151 -0.109722 34 1 0 1.084030 2.262602 0.438202 35 6 0 2.849453 4.129230 0.507718 36 6 0 4.283817 2.434981 -0.584974 37 1 0 3.072378 4.909222 -0.211546 38 1 0 3.526266 4.234387 1.351639 39 1 0 1.838374 4.273209 0.862676 40 1 0 4.841682 3.326238 -0.840279 41 1 0 4.186169 1.814530 -1.463031 42 1 0 4.828638 1.878575 0.171134 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3231015 0.1978990 0.1276724 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.0815208567 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.93D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999998 0.000608 -0.000931 0.001506 Ang= 0.21 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37913805 A.U. after 14 cycles NFock= 14 Conv=0.66D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000629135 0.000232726 -0.000123660 2 6 -0.000399342 0.000217772 -0.000298581 3 8 0.000053591 -0.000201429 -0.000148458 4 7 -0.000905225 -0.001051049 0.000372277 5 6 0.001426181 -0.000278313 -0.000952288 6 6 -0.000388951 0.000429020 -0.000026896 7 7 0.001124391 -0.000240949 0.000124993 8 6 -0.001396067 0.000070478 0.000161198 9 7 0.000146910 0.000990589 -0.000214830 10 6 -0.000042689 -0.001155399 0.000715805 11 7 -0.000791410 0.002053888 -0.000960021 12 6 0.001265357 -0.002118408 0.000602797 13 7 -0.001362826 -0.000006929 0.000665244 14 1 -0.000231881 -0.000062861 0.000018144 15 1 0.000100409 -0.000184151 0.000181922 16 1 -0.000014706 0.000113129 -0.000005789 17 7 0.000197526 0.000677079 -0.000536883 18 1 -0.000142486 -0.000151411 0.000070072 19 1 -0.000117672 -0.000055155 -0.000011139 20 6 -0.000412985 -0.000238863 0.000549439 21 1 -0.000026525 0.000083886 0.000114238 22 6 0.001440545 0.000776669 0.000412018 23 1 0.000041808 -0.000096234 0.000037983 24 7 -0.000683793 0.000632226 -0.001236695 25 6 0.000081183 -0.000187479 0.000153911 26 6 -0.000097582 -0.000068300 0.000633408 27 1 -0.000020772 0.000106518 -0.000229134 28 1 0.000044782 0.000038943 0.000046378 29 1 -0.000189543 -0.000063214 0.000166791 30 1 0.000010294 0.000069448 0.000014683 31 1 -0.000011452 -0.000075842 0.000071159 32 1 0.000017108 -0.000167302 -0.000056104 33 7 0.001686704 -0.001386461 -0.000456595 34 1 0.000172230 -0.000122795 -0.000002040 35 6 -0.000990732 0.000800460 -0.000331142 36 6 0.000030023 0.000686866 0.000617552 37 1 0.000009386 -0.000351432 -0.000092725 38 1 0.000182317 0.000397543 -0.000046175 39 1 -0.000523219 -0.000003714 -0.000060392 40 1 0.000024768 0.000066093 0.000139738 41 1 0.000161591 -0.000004786 -0.000037900 42 1 -0.000096379 -0.000170857 -0.000042301 ------------------------------------------------------------------- Cartesian Forces: Max 0.002118408 RMS 0.000582502 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001948246 RMS 0.000328399 Search for a local minimum. Step number 14 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 12 13 14 DE= -1.49D-04 DEPred=-2.28D-04 R= 6.52D-01 TightC=F SS= 1.41D+00 RLast= 5.58D-01 DXNew= 2.7656D+00 1.6740D+00 Trust test= 6.52D-01 RLast= 5.58D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00171 0.00242 0.00332 0.00711 0.01194 Eigenvalues --- 0.01198 0.01226 0.01278 0.01435 0.01533 Eigenvalues --- 0.01638 0.02041 0.02119 0.02133 0.02239 Eigenvalues --- 0.02328 0.02446 0.02572 0.02592 0.02629 Eigenvalues --- 0.02718 0.02806 0.02910 0.03283 0.03492 Eigenvalues --- 0.03893 0.05423 0.05495 0.05713 0.05962 Eigenvalues --- 0.06679 0.07426 0.07486 0.07564 0.07575 Eigenvalues --- 0.07630 0.07809 0.07814 0.07919 0.08406 Eigenvalues --- 0.15510 0.15842 0.15905 0.15973 0.15988 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16001 0.16002 0.16006 0.16016 0.16042 Eigenvalues --- 0.16093 0.16221 0.16752 0.17201 0.18423 Eigenvalues --- 0.20891 0.22108 0.22365 0.22838 0.23601 Eigenvalues --- 0.23876 0.24140 0.24605 0.24758 0.24923 Eigenvalues --- 0.24945 0.25024 0.26007 0.26434 0.27474 Eigenvalues --- 0.27781 0.32633 0.32795 0.33167 0.33236 Eigenvalues --- 0.33368 0.33431 0.33539 0.33578 0.33597 Eigenvalues --- 0.33642 0.33655 0.33675 0.33690 0.33752 Eigenvalues --- 0.33789 0.33801 0.34826 0.36036 0.37406 Eigenvalues --- 0.37821 0.39093 0.39768 0.39902 0.40016 Eigenvalues --- 0.40156 0.40445 0.40786 0.41856 0.43134 Eigenvalues --- 0.45863 0.47519 0.48818 0.50379 0.52372 Eigenvalues --- 0.53245 0.55140 0.59454 0.60442 0.65885 Eigenvalues --- 0.70773 0.72379 0.74844 0.77022 0.87610 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 12 11 10 9 8 7 6 RFO step: Lambda=-1.68541510D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.71142 0.50410 -0.07452 -0.26605 0.02164 RFO-DIIS coefs: 0.16803 -0.09063 -0.20104 0.22704 Iteration 1 RMS(Cart)= 0.04236011 RMS(Int)= 0.00176517 Iteration 2 RMS(Cart)= 0.00199642 RMS(Int)= 0.00004463 Iteration 3 RMS(Cart)= 0.00000611 RMS(Int)= 0.00004442 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004442 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87527 -0.00012 0.00004 -0.00032 -0.00028 2.87499 R2 2.64598 0.00031 -0.00153 0.00162 0.00009 2.64607 R3 2.73073 -0.00010 0.00141 -0.00110 0.00031 2.73105 R4 2.04322 -0.00022 0.00063 -0.00115 -0.00051 2.04270 R5 2.05372 0.00020 -0.00034 0.00057 0.00024 2.05395 R6 2.04877 0.00009 -0.00022 0.00025 0.00004 2.04880 R7 2.03951 0.00022 -0.00011 0.00010 -0.00001 2.03950 R8 1.79053 -0.00007 -0.00010 0.00009 -0.00001 1.79051 R9 2.60303 0.00015 -0.00063 0.00079 0.00016 2.60319 R10 2.40450 -0.00107 0.00056 -0.00085 -0.00029 2.40421 R11 2.64067 -0.00071 0.00091 -0.00156 -0.00066 2.64002 R12 2.52072 -0.00101 0.00210 -0.00213 -0.00003 2.52069 R13 2.62108 -0.00036 0.00045 -0.00082 -0.00037 2.62071 R14 2.61543 -0.00023 0.00080 -0.00053 0.00027 2.61570 R15 2.43990 -0.00097 0.00098 -0.00145 -0.00048 2.43943 R16 2.60425 0.00010 0.00101 -0.00058 0.00043 2.60468 R17 2.59445 -0.00055 0.00146 -0.00172 -0.00026 2.59418 R18 2.59462 -0.00094 0.00128 -0.00207 -0.00079 2.59383 R19 2.48714 0.00014 0.00011 -0.00006 0.00006 2.48720 R20 2.49980 -0.00195 0.00210 -0.00317 -0.00107 2.49873 R21 2.48676 0.00066 -0.00204 0.00271 0.00067 2.48742 R22 2.03210 -0.00002 -0.00008 0.00010 0.00002 2.03212 R23 2.40690 -0.00014 0.00125 -0.00073 0.00052 2.40741 R24 2.52867 -0.00037 -0.00030 -0.00064 -0.00094 2.52773 R25 2.03918 -0.00016 0.00050 -0.00048 0.00001 2.03920 R26 2.03650 0.00010 0.00018 -0.00005 0.00013 2.03663 R27 2.53350 0.00094 -0.00058 0.00128 0.00070 2.53420 R28 2.73934 -0.00010 0.00033 -0.00008 0.00025 2.73959 R29 2.72632 0.00021 -0.00018 0.00079 0.00061 2.72693 R30 2.04566 0.00013 0.00004 -0.00011 -0.00006 2.04559 R31 2.03925 0.00002 0.00051 -0.00001 0.00050 2.03976 R32 2.05143 0.00012 -0.00068 0.00022 -0.00046 2.05097 R33 2.05078 -0.00001 -0.00039 -0.00020 -0.00059 2.05019 R34 2.05361 0.00005 0.00018 0.00011 0.00029 2.05390 R35 2.04377 0.00016 0.00004 0.00016 0.00020 2.04397 R36 2.73125 0.00089 0.00119 0.00140 0.00259 2.73384 R37 2.74016 0.00023 0.00021 0.00054 0.00075 2.74091 R38 2.04878 -0.00004 -0.00033 -0.00079 -0.00112 2.04766 R39 2.05393 -0.00031 -0.00071 -0.00007 -0.00079 2.05314 R40 2.04318 0.00029 0.00072 0.00022 0.00094 2.04412 R41 2.04469 0.00003 -0.00018 -0.00020 -0.00038 2.04431 R42 2.04010 0.00005 0.00017 -0.00002 0.00015 2.04025 R43 2.05113 0.00005 -0.00024 0.00003 -0.00021 2.05092 A1 1.95695 0.00016 -0.00062 0.00083 0.00021 1.95716 A2 1.97928 -0.00074 0.00264 -0.00360 -0.00097 1.97831 A3 1.90769 0.00029 -0.00104 0.00196 0.00092 1.90861 A4 1.87705 0.00021 -0.00084 0.00084 -0.00001 1.87704 A5 1.91843 -0.00010 -0.00236 0.00225 -0.00009 1.91834 A6 1.81912 0.00018 0.00230 -0.00238 -0.00008 1.81904 A7 1.90686 0.00027 -0.00038 0.00158 0.00120 1.90806 A8 1.92447 -0.00012 -0.00075 0.00030 -0.00045 1.92402 A9 1.93468 -0.00005 0.00085 -0.00141 -0.00056 1.93412 A10 1.88338 -0.00003 0.00015 0.00002 0.00017 1.88355 A11 1.90322 -0.00013 -0.00025 -0.00029 -0.00054 1.90268 A12 1.91036 0.00005 0.00037 -0.00016 0.00020 1.91057 A13 1.90295 0.00016 -0.00252 0.00286 0.00033 1.90328 A14 2.08364 0.00013 -0.00067 0.00158 0.00091 2.08454 A15 2.20138 -0.00048 0.00293 -0.00180 0.00113 2.20251 A16 2.02766 0.00028 -0.00305 0.00175 -0.00129 2.02637 A17 2.05343 0.00019 0.00004 0.00003 0.00008 2.05350 A18 2.33559 0.00003 0.00096 -0.00067 0.00029 2.33588 A19 2.03089 -0.00004 -0.00006 0.00021 0.00016 2.03105 A20 1.91635 0.00001 -0.00089 0.00049 -0.00039 1.91596 A21 1.83490 0.00007 0.00129 -0.00066 0.00062 1.83552 A22 1.97853 -0.00010 -0.00091 0.00032 -0.00057 1.97796 A23 2.21898 0.00069 0.00010 0.00193 0.00206 2.22104 A24 2.08535 -0.00060 0.00078 -0.00224 -0.00143 2.08392 A25 2.26531 -0.00055 0.00230 -0.00238 -0.00010 2.26521 A26 2.16459 0.00044 -0.00257 0.00208 -0.00051 2.16408 A27 1.84574 0.00012 0.00002 0.00025 0.00026 1.84600 A28 1.84901 -0.00010 0.00052 -0.00044 0.00009 1.84910 A29 2.20746 -0.00032 -0.00030 -0.00012 -0.00042 2.20704 A30 2.22652 0.00042 -0.00019 0.00053 0.00033 2.22684 A31 1.95114 0.00030 0.00014 0.00033 0.00048 1.95162 A32 2.23726 -0.00004 0.00045 -0.00063 -0.00021 2.23705 A33 2.02330 0.00005 0.00073 -0.00045 0.00024 2.02355 A34 2.02262 -0.00002 -0.00108 0.00108 -0.00004 2.02258 A35 2.08612 -0.00009 -0.00028 0.00019 -0.00008 2.08603 A36 2.03126 0.00047 0.00287 -0.00160 0.00127 2.03253 A37 2.14397 0.00034 0.00005 0.00116 0.00121 2.14518 A38 2.12928 -0.00022 0.00053 -0.00100 -0.00046 2.12881 A39 2.00988 -0.00013 -0.00055 -0.00017 -0.00073 2.00916 A40 2.15390 -0.00033 0.00071 -0.00073 -0.00002 2.15388 A41 2.13109 0.00057 -0.00194 0.00209 0.00015 2.13124 A42 1.99800 -0.00024 0.00122 -0.00139 -0.00016 1.99784 A43 2.09168 0.00030 0.00002 -0.00071 -0.00056 2.09112 A44 2.12008 -0.00040 -0.00099 -0.00126 -0.00211 2.11797 A45 2.06326 0.00007 0.00094 0.00076 0.00182 2.06508 A46 1.89815 0.00010 0.00131 -0.00108 0.00023 1.89839 A47 1.91679 0.00005 0.00040 0.00106 0.00147 1.91827 A48 1.94537 -0.00015 -0.00181 0.00070 -0.00111 1.94426 A49 1.91240 -0.00009 0.00015 -0.00079 -0.00063 1.91177 A50 1.90090 0.00001 0.00042 -0.00002 0.00040 1.90130 A51 1.89003 0.00008 -0.00048 0.00009 -0.00038 1.88965 A52 1.93263 -0.00009 -0.00142 -0.00034 -0.00177 1.93087 A53 1.94320 0.00007 0.00008 0.00210 0.00218 1.94537 A54 1.91893 0.00004 0.00062 -0.00076 -0.00015 1.91878 A55 1.88971 0.00002 0.00010 -0.00009 0.00001 1.88972 A56 1.88978 0.00001 -0.00034 -0.00038 -0.00073 1.88905 A57 1.88812 -0.00004 0.00101 -0.00058 0.00043 1.88855 A58 2.11294 -0.00114 -0.00250 -0.00267 -0.00490 2.10804 A59 2.08593 0.00002 0.00041 0.00039 0.00105 2.08698 A60 2.04940 0.00119 0.00620 0.00377 0.01016 2.05955 A61 1.92502 0.00027 0.00098 -0.00182 -0.00084 1.92418 A62 1.94572 -0.00052 -0.00338 0.00234 -0.00104 1.94469 A63 1.91676 0.00062 0.00318 0.00123 0.00439 1.92115 A64 1.89386 -0.00003 -0.00113 -0.00043 -0.00155 1.89231 A65 1.89049 -0.00025 0.00034 -0.00133 -0.00101 1.88948 A66 1.89075 -0.00009 0.00008 -0.00008 -0.00002 1.89073 A67 1.89716 0.00009 0.00156 -0.00065 0.00091 1.89807 A68 1.91830 0.00009 0.00014 0.00042 0.00057 1.91886 A69 1.94438 -0.00007 -0.00169 0.00137 -0.00032 1.94406 A70 1.90511 -0.00006 -0.00022 -0.00015 -0.00037 1.90475 A71 1.90480 -0.00004 0.00053 -0.00067 -0.00014 1.90465 A72 1.89375 -0.00001 -0.00031 -0.00035 -0.00066 1.89309 D1 1.08635 0.00008 -0.00343 0.00289 -0.00054 1.08581 D2 -3.12971 0.00014 -0.00393 0.00406 0.00013 -3.12958 D3 -1.01144 0.00009 -0.00341 0.00312 -0.00029 -1.01172 D4 -3.06672 -0.00008 -0.00306 0.00194 -0.00112 -3.06784 D5 -0.99960 -0.00001 -0.00356 0.00310 -0.00045 -1.00005 D6 1.11868 -0.00006 -0.00303 0.00216 -0.00087 1.11781 D7 -1.04548 -0.00010 0.00069 -0.00190 -0.00121 -1.04669 D8 1.02165 -0.00004 0.00019 -0.00073 -0.00054 1.02111 D9 3.13992 -0.00009 0.00071 -0.00167 -0.00095 3.13897 D10 -1.08907 -0.00033 0.00061 -0.00115 -0.00054 -1.08961 D11 3.00671 0.00035 -0.00171 0.00227 0.00056 3.00726 D12 1.03663 0.00007 -0.00279 0.00349 0.00070 1.03733 D13 -1.10784 0.00016 -0.00476 0.00613 0.00137 -1.10647 D14 2.18473 0.00015 -0.00174 0.00655 0.00481 2.18954 D15 1.06616 0.00002 -0.00440 0.00536 0.00097 1.06714 D16 -1.92445 0.00001 -0.00137 0.00579 0.00441 -1.92004 D17 3.10237 0.00009 -0.00634 0.00716 0.00082 3.10319 D18 0.11175 0.00008 -0.00332 0.00759 0.00426 0.11601 D19 -0.52453 -0.00004 0.01948 -0.00307 0.01641 -0.50812 D20 2.65926 0.00022 0.02083 -0.00228 0.01855 2.67781 D21 -0.04138 0.00013 -0.00006 0.00178 0.00172 -0.03966 D22 3.12229 0.00012 -0.00008 0.00385 0.00377 3.12606 D23 0.01714 0.00015 0.00076 0.00108 0.00184 0.01898 D24 -3.09241 0.00016 -0.00052 -0.00029 -0.00080 -3.09322 D25 3.11598 -0.00012 -0.00069 0.00032 -0.00036 3.11562 D26 0.00643 -0.00011 -0.00196 -0.00105 -0.00300 0.00342 D27 3.10658 -0.00008 0.00129 -0.00018 0.00113 3.10771 D28 0.00346 0.00018 0.00248 0.00059 0.00305 0.00651 D29 -3.11581 -0.00005 -0.00079 -0.00101 -0.00180 -3.11762 D30 -0.00473 -0.00006 0.00042 0.00029 0.00072 -0.00401 D31 3.10876 0.00005 0.00162 -0.00010 0.00152 3.11028 D32 -0.01254 0.00002 0.00041 0.00127 0.00168 -0.01086 D33 -0.00826 0.00006 0.00062 -0.00113 -0.00052 -0.00878 D34 -3.12957 0.00003 -0.00059 0.00024 -0.00036 -3.12993 D35 0.01649 0.00004 -0.00135 0.00069 -0.00067 0.01582 D36 3.13017 -0.00001 0.00128 0.00109 0.00241 3.13258 D37 -3.03364 -0.00004 0.00459 -0.00122 0.00336 -3.03027 D38 -0.02193 -0.00000 0.00177 -0.00141 0.00036 -0.02158 D39 0.13351 -0.00002 0.00215 -0.00166 0.00050 0.13400 D40 -3.13797 0.00002 -0.00068 -0.00185 -0.00251 -3.14048 D41 0.40142 -0.00010 -0.04291 0.00236 -0.04054 0.36088 D42 -2.76960 -0.00014 -0.04011 0.00283 -0.03729 -2.80689 D43 3.03841 -0.00009 -0.00349 0.00087 -0.00263 3.03578 D44 -0.12377 -0.00007 -0.00225 -0.00053 -0.00281 -0.12657 D45 0.01718 -0.00004 -0.00134 0.00146 0.00012 0.01730 D46 3.13819 -0.00001 -0.00011 0.00006 -0.00006 3.13814 D47 0.00710 0.00000 0.00062 -0.00086 -0.00024 0.00686 D48 -3.10988 -0.00003 -0.00087 0.00082 -0.00003 -3.10991 D49 0.00468 0.00007 -0.00010 0.00028 0.00018 0.00486 D50 -3.13801 -0.00018 0.00008 -0.00229 -0.00221 -3.14022 D51 -0.01002 -0.00017 -0.00150 -0.00020 -0.00170 -0.01172 D52 3.13266 0.00008 -0.00167 0.00237 0.00070 3.13336 D53 -3.04854 -0.00007 -0.01147 0.00189 -0.00959 -3.05812 D54 0.08144 -0.00008 -0.00765 0.00051 -0.00714 0.07430 D55 -2.90658 -0.00044 -0.01705 -0.00581 -0.02301 -2.92959 D56 -0.05300 0.00008 0.00433 0.00078 0.00526 -0.04775 D57 0.24589 -0.00043 -0.02065 -0.00451 -0.02530 0.22059 D58 3.09948 0.00009 0.00074 0.00208 0.00296 3.10244 D59 -0.05279 -0.00006 -0.00023 -0.00426 -0.00442 -0.05722 D60 -3.05492 0.00015 -0.00359 0.00605 0.00240 -3.05252 D61 3.10904 -0.00007 -0.00025 -0.00236 -0.00254 3.10650 D62 0.10692 0.00014 -0.00360 0.00795 0.00428 0.11120 D63 2.83767 -0.00004 0.03412 -0.00327 0.03089 2.86856 D64 0.74501 -0.00001 0.03288 -0.00229 0.03063 0.77565 D65 -1.34960 -0.00005 0.03437 -0.00356 0.03085 -1.31875 D66 -0.43889 -0.00028 0.03742 -0.01341 0.02397 -0.41492 D67 -2.53154 -0.00025 0.03618 -0.01243 0.02371 -2.50783 D68 1.65703 -0.00029 0.03766 -0.01370 0.02393 1.68096 D69 -2.21691 -0.00015 -0.03150 -0.00175 -0.03327 -2.25018 D70 1.96289 -0.00015 -0.03073 -0.00281 -0.03354 1.92935 D71 -0.12935 -0.00017 -0.03244 -0.00293 -0.03538 -0.16473 D72 1.06195 0.00004 -0.03488 0.00850 -0.02637 1.03558 D73 -1.04143 0.00004 -0.03410 0.00745 -0.02664 -1.06807 D74 -3.13367 0.00002 -0.03582 0.00732 -0.02848 3.12103 D75 -2.31112 -0.00021 -0.07474 -0.00159 -0.07638 -2.38749 D76 1.86691 -0.00001 -0.07178 -0.00137 -0.07317 1.79374 D77 -0.22881 0.00003 -0.07176 -0.00359 -0.07539 -0.30421 D78 1.11268 -0.00055 -0.09529 -0.00754 -0.10280 1.00988 D79 -0.99248 -0.00035 -0.09233 -0.00732 -0.09960 -1.09208 D80 -3.08820 -0.00030 -0.09232 -0.00954 -0.10182 3.09316 D81 2.93679 -0.00019 0.00341 -0.00797 -0.00449 2.93230 D82 0.85273 -0.00023 0.00264 -0.00765 -0.00493 0.84780 D83 -1.24690 -0.00023 0.00402 -0.00837 -0.00427 -1.25117 D84 -0.48247 -0.00006 0.02330 -0.00264 0.02058 -0.46188 D85 -2.56653 -0.00010 0.02254 -0.00232 0.02014 -2.54639 D86 1.61702 -0.00010 0.02392 -0.00304 0.02080 1.63783 Item Value Threshold Converged? Maximum Force 0.001948 0.000450 NO RMS Force 0.000328 0.000300 NO Maximum Displacement 0.252678 0.001800 NO RMS Displacement 0.042531 0.001200 NO Predicted change in Energy=-7.058525D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.951448 -4.939843 2.066586 2 6 0 7.177680 -5.223781 3.544016 3 8 0 6.835512 -6.115600 1.315037 4 7 0 2.985173 -0.806547 0.093414 5 6 0 4.215431 -1.393070 0.293672 6 6 0 4.456975 -2.595863 0.961995 7 7 0 3.640915 -3.534718 1.575077 8 6 0 4.446830 -4.425585 2.047573 9 7 0 5.774507 -4.141192 1.810482 10 6 0 5.783173 -2.968452 1.097302 11 7 0 6.830418 -2.308641 0.649833 12 6 0 6.481224 -1.192656 0.032548 13 7 0 5.270371 -0.712665 -0.157338 14 1 0 7.767068 -4.339876 1.688087 15 1 0 8.114267 -5.761252 3.667671 16 1 0 7.250765 -4.294470 4.097628 17 7 0 4.115202 -5.556063 2.752250 18 1 0 6.373911 -5.820484 3.947375 19 1 0 7.647236 -6.600898 1.372853 20 6 0 2.918318 -5.973464 2.625008 21 1 0 7.287965 -0.600880 -0.361593 22 6 0 1.949115 -1.540082 0.008923 23 1 0 1.979212 -2.616595 0.050589 24 7 0 0.723587 -1.025128 -0.167979 25 6 0 0.543439 0.413066 -0.197253 26 6 0 -0.451810 -1.862115 -0.152978 27 1 0 -0.429863 0.633713 -0.616496 28 1 0 1.310183 0.867213 -0.806304 29 1 0 0.602872 0.839931 0.798833 30 1 0 -1.062194 -1.679722 -1.031157 31 1 0 -1.059857 -1.678023 0.728893 32 1 0 -0.162476 -2.904318 -0.152418 33 7 0 2.430555 -7.005501 3.322298 34 1 0 2.220045 -5.508263 1.946441 35 6 0 1.164776 -7.608139 2.965184 36 6 0 3.300000 -7.732978 4.227053 37 1 0 0.578147 -7.803506 3.855036 38 1 0 1.307197 -8.545793 2.435135 39 1 0 0.601760 -6.939349 2.328151 40 1 0 2.693666 -8.378983 4.847802 41 1 0 3.838381 -7.040640 4.856708 42 1 0 4.020874 -8.335787 3.684064 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521380 0.000000 3 O 1.400240 2.425029 0.000000 4 N 6.058786 6.999694 6.671096 0.000000 5 C 4.817532 5.832152 5.496390 1.377551 0.000000 6 C 3.596771 4.579849 4.262701 2.474326 1.397036 7 N 3.629819 4.386155 4.115097 3.173049 2.561001 8 C 2.556939 3.214654 3.016382 4.364930 3.510820 9 N 1.445207 2.479119 2.295535 4.674245 3.504798 10 C 2.488124 3.607986 3.325562 3.675653 2.363359 11 N 2.990829 4.122490 3.864642 4.165549 2.793435 12 C 4.289502 5.391235 5.099576 3.517835 2.289579 13 N 5.063684 6.139057 5.814574 2.300830 1.333889 14 H 1.080952 2.138490 2.039647 6.155803 4.821015 15 H 2.142506 1.086904 2.701049 7.976968 6.757648 16 H 2.152029 1.084180 3.351382 6.811359 5.665815 17 N 2.982307 3.180578 3.127099 5.559162 4.835821 18 H 2.155561 1.079259 2.688749 7.174686 6.132746 19 H 1.929895 2.613596 0.947499 7.546278 6.329565 20 C 4.200755 4.421399 4.132872 5.754170 5.300720 21 H 4.983563 6.052863 5.781690 4.331669 3.239970 22 C 6.388716 7.307832 6.820423 1.272254 2.288860 23 H 5.846782 6.784211 6.117640 2.071247 2.560620 24 N 7.687947 8.547684 8.091221 2.287110 3.541394 25 C 8.651080 9.475457 9.192425 2.744815 4.121487 26 C 8.319081 9.120180 8.564594 3.603857 4.711968 27 H 9.630535 10.463976 10.102956 3.773697 5.149272 28 H 8.590650 9.510678 9.153634 2.533092 3.841782 29 H 8.678560 9.355893 9.353699 2.980581 4.276922 30 H 9.189280 10.069165 9.357104 4.290486 5.448914 31 H 8.752708 9.399699 9.075930 4.186355 5.300875 32 H 7.724976 8.539404 7.838213 3.790616 4.652841 33 N 5.126620 5.075321 4.921856 7.011442 6.622517 34 H 4.766940 5.216448 4.697879 5.111288 4.862923 35 C 6.435282 6.494246 6.091626 7.604115 7.420953 36 C 5.079596 4.668941 4.857529 8.072269 7.516910 37 H 7.212356 7.092641 6.960979 8.300663 8.185770 38 H 6.707927 6.835785 6.141883 8.258038 8.012811 39 H 6.662206 6.903928 6.369036 6.948810 6.925239 40 H 6.139345 5.635738 5.895610 8.946003 8.476960 41 H 4.678602 4.021823 4.730954 7.891822 7.270386 42 H 4.768327 4.435045 4.296942 8.405647 7.728773 6 7 8 9 10 6 C 0.000000 7 N 1.386821 0.000000 8 C 2.127549 1.290889 0.000000 9 N 2.200877 2.230569 1.378338 0.000000 10 C 1.384171 2.266758 2.193641 1.372596 0.000000 11 N 2.411052 3.540095 3.480893 2.412529 1.316169 12 C 2.632573 3.991492 4.318670 3.514877 2.185046 13 N 2.336868 3.690579 4.396092 3.985131 2.631666 14 H 3.811234 4.205495 3.340742 2.006179 2.483077 15 H 5.542216 5.417313 4.225970 3.398268 4.454271 16 H 4.530201 4.468948 3.475913 2.726513 3.593620 17 N 3.476292 2.386738 1.372781 2.375306 3.495241 18 H 4.794301 4.280396 3.044443 2.783095 4.075043 19 H 5.136816 5.049056 3.928083 3.122305 4.092106 20 C 4.067096 2.751723 2.250713 3.489769 4.423954 21 H 3.707607 5.065479 5.338960 4.420665 3.161989 22 C 2.883120 3.048541 4.326754 4.964374 4.233770 23 H 2.640152 2.434804 3.653700 4.452626 3.961001 24 N 4.205025 4.224582 5.507659 6.255873 5.565685 25 C 5.070826 5.321702 6.609708 7.220550 6.369093 26 C 5.087016 4.747018 5.950670 6.914940 6.454626 27 H 6.066546 6.224953 7.515044 8.196593 7.383394 28 H 5.002207 5.520895 6.782099 7.201519 6.192227 29 H 5.165793 5.382362 6.637847 7.251264 6.436488 30 H 5.939124 5.687944 6.882419 7.802193 7.283557 31 H 5.597518 5.124510 6.293776 7.344764 6.973377 32 H 4.761973 4.224622 5.329157 6.374213 6.075908 33 N 5.396510 4.069900 3.513724 4.655305 5.699861 34 H 3.801982 2.460013 2.478103 3.810718 4.457304 35 C 6.322520 4.965523 4.662890 5.882404 6.807735 36 C 6.195897 4.977407 4.123615 4.986374 6.217893 37 H 7.108765 5.727243 5.444629 6.677941 7.620704 38 H 6.891510 5.594356 5.194576 6.304567 7.275362 39 H 5.966149 4.625483 4.602423 5.903810 6.643045 40 H 7.187018 5.922407 5.152109 6.056052 7.272217 41 H 5.942011 4.806203 3.885868 4.629782 5.873505 42 H 6.367619 5.257610 4.260191 4.917333 6.213318 11 12 13 14 15 11 N 0.000000 12 C 1.322270 0.000000 13 N 2.373271 1.316288 0.000000 14 H 2.466009 3.781427 4.774490 0.000000 15 H 4.761947 6.062427 6.943103 2.461628 0.000000 16 H 4.000937 5.170910 5.903899 2.464654 1.755548 17 N 4.726342 5.659873 5.767029 3.993454 4.107630 18 H 4.838928 6.062522 6.645020 3.039321 1.763685 19 H 4.428705 5.692546 6.531636 2.286035 2.487833 20 C 5.712860 6.501636 6.399188 5.201616 5.303779 21 H 2.036856 1.075350 2.030986 4.290783 6.599029 22 C 4.982828 4.545468 3.426807 6.671358 8.319484 23 H 4.897768 4.721869 3.807875 6.257026 7.785310 24 N 6.293616 5.763563 4.557520 8.002697 9.579417 25 C 6.902996 6.155359 4.859295 8.850185 10.506059 26 C 7.339942 6.967752 5.836490 8.779452 10.157673 27 H 7.935535 7.177744 5.875050 9.860901 11.500079 28 H 6.532945 5.629067 4.312801 8.661820 10.499931 29 H 6.979831 6.266868 5.011024 8.885205 10.403216 30 H 8.094108 7.633601 6.465302 9.613874 11.088071 31 H 7.915830 7.588701 6.464449 9.269311 10.462970 32 H 7.063923 6.863145 5.858259 8.265951 9.552991 33 N 6.968598 7.811500 7.731249 6.185028 5.828553 34 H 5.759715 6.359646 6.060374 5.674623 6.145608 35 C 8.095988 8.833085 8.611249 7.476816 7.224950 36 C 7.394848 8.395824 8.508234 6.157450 5.232378 37 H 8.919515 9.651998 9.401922 8.268796 7.810186 38 H 8.520290 9.306536 9.153446 7.744531 7.457146 39 H 7.940805 8.535946 8.169772 7.649090 7.721398 40 H 8.460775 9.443281 9.511218 7.213709 6.134178 41 H 7.002992 8.028453 8.199667 5.724410 4.618858 42 H 7.309349 8.391139 8.627260 5.829683 4.835739 16 17 18 19 20 16 H 0.000000 17 N 3.637776 0.000000 18 H 1.766401 2.569048 0.000000 19 H 3.591824 3.933151 2.976334 0.000000 20 C 4.874190 1.273949 3.703130 4.931960 0.000000 21 H 5.790392 6.657048 6.829859 6.256005 7.541768 22 C 7.239589 5.324085 7.308355 7.742141 5.238142 23 H 6.854419 4.527902 6.690532 7.053337 4.333373 24 N 8.455061 6.368686 8.476894 9.022211 6.091277 25 C 9.251763 7.555631 9.488387 10.105685 7.375159 26 C 9.127632 6.553107 8.892247 9.506776 5.998180 27 H 10.271416 8.385666 10.429617 11.024366 8.085323 28 H 9.272649 7.860656 9.641789 10.033925 7.820157 29 H 9.024334 7.553876 9.358383 10.262481 7.424187 30 H 10.111708 7.493038 9.860393 10.288412 6.902771 31 H 9.341339 6.776017 9.098325 10.023116 6.154018 32 H 8.657457 5.810970 8.248435 8.773982 5.159946 33 N 5.584376 2.294311 4.164738 5.583709 1.337620 34 H 5.604378 2.059911 4.621236 5.565722 1.079098 35 C 7.021545 3.600190 5.594237 6.750729 2.421320 36 C 5.239144 2.752918 3.631085 5.322267 2.410004 37 H 7.542945 4.333347 6.126318 7.588117 3.215342 38 H 7.494240 4.113872 5.948594 6.716186 3.041158 39 H 7.371276 3.799686 6.098481 7.117997 2.527350 40 H 6.165481 3.792226 4.571748 6.306720 3.282956 41 H 4.445449 2.590240 2.957123 5.180541 2.639293 42 H 5.189940 2.933265 3.454398 4.637029 2.813859 21 22 23 24 25 21 H 0.000000 22 C 5.433481 0.000000 23 H 5.693493 1.077739 0.000000 24 N 6.580922 1.341041 2.038905 0.000000 25 C 6.822297 2.415206 3.361802 1.449728 0.000000 26 C 7.844639 2.427830 2.553536 1.443029 2.483733 27 H 7.820106 3.282692 4.100383 2.069630 1.082481 28 H 6.171462 2.620668 3.649491 2.081468 1.079393 29 H 6.936354 2.846189 3.794964 2.104220 1.085327 30 H 8.446146 3.188925 3.361258 2.088680 2.766444 31 H 8.487375 3.096981 3.252222 2.100315 2.793019 32 H 7.801196 2.519124 2.170443 2.077669 3.391955 33 N 8.842209 6.409449 5.492748 7.131664 8.425175 34 H 7.422483 4.424233 3.466121 5.177708 6.516791 35 C 9.882438 6.795291 5.837266 7.303930 8.644466 36 C 9.371572 7.613768 6.735332 8.423150 9.671150 37 H 10.708849 7.476805 6.583376 7.883667 9.161567 38 H 10.330195 7.441676 6.425967 7.979800 9.368775 39 H 9.597722 6.028786 5.076501 6.420554 7.774257 40 H 10.428052 8.410687 7.531853 9.116932 10.362247 41 H 8.977796 7.571425 6.791720 8.434205 9.589416 42 H 9.320409 7.998778 7.076700 8.896970 10.183300 26 27 28 29 30 26 C 0.000000 27 H 2.538600 0.000000 28 H 3.313712 1.765874 0.000000 29 H 3.052762 1.764150 1.754280 0.000000 30 H 1.084912 2.433878 3.487923 3.531283 0.000000 31 H 1.086879 2.747924 3.801598 3.018220 1.760052 32 H 1.081620 3.578341 4.101310 3.938279 1.755367 33 N 6.843975 9.058348 8.959922 8.441510 7.714647 34 H 4.984051 7.163415 7.003724 6.650700 5.856356 35 C 6.734469 9.126852 9.277761 8.739491 7.488409 36 C 8.229689 10.362111 10.161561 9.618833 9.127947 37 H 7.240519 9.601945 9.871440 9.167878 8.004145 38 H 7.379972 9.828182 9.955482 9.553291 8.048114 39 H 5.748419 8.190632 8.442102 7.928178 6.458899 40 H 8.796101 10.992892 10.925890 10.283673 9.672060 41 H 8.385691 10.347442 10.049658 9.436009 9.349975 42 H 8.754212 10.897514 10.592755 10.207894 9.611145 31 32 33 34 35 31 H 0.000000 32 H 1.756644 0.000000 33 N 6.876826 5.968011 0.000000 34 H 5.187573 4.106353 2.044265 0.000000 35 C 6.716864 5.797152 1.446685 2.561427 0.000000 36 C 8.240628 7.381359 1.450427 3.364053 2.483360 37 H 7.069467 6.372617 2.086153 3.406861 1.083576 38 H 7.461935 6.378213 2.102734 3.209159 1.086477 39 H 5.744576 4.797786 2.082593 2.193754 1.081702 40 H 8.715343 7.945545 2.069503 4.108923 2.544789 41 H 8.353996 7.629375 2.082697 3.665631 3.323865 42 H 8.881030 7.856199 2.104674 3.775873 3.033736 36 37 38 39 40 36 C 0.000000 37 H 2.748064 0.000000 38 H 2.800518 1.760291 0.000000 39 H 3.393549 1.754623 1.757768 0.000000 40 H 1.081801 2.406694 2.787666 3.577325 0.000000 41 H 1.079654 3.494916 3.812663 4.108476 1.761140 42 H 1.085299 3.487825 2.994657 3.934321 1.765682 41 42 41 H 0.000000 42 H 1.756646 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487116 -2.265163 0.144030 2 6 0 3.463808 -2.136800 -1.015364 3 8 0 3.055361 -1.864559 1.359467 4 7 0 -3.261491 -0.380699 -0.189423 5 6 0 -2.223707 -1.276299 -0.053225 6 6 0 -0.861141 -0.968088 -0.064604 7 7 0 -0.144571 0.213436 -0.182089 8 6 0 1.096647 -0.140023 -0.153140 9 7 0 1.273771 -1.502412 -0.042058 10 6 0 0.012013 -2.037935 0.030053 11 7 0 -0.316106 -3.307754 0.140507 12 6 0 -1.627370 -3.477941 0.145093 13 7 0 -2.567057 -2.561037 0.050801 14 1 0 2.148688 -3.289270 0.215656 15 1 0 4.314398 -2.791189 -0.843224 16 1 0 2.989453 -2.442810 -1.940995 17 7 0 2.195815 0.677032 -0.246846 18 1 0 3.815286 -1.120783 -1.110084 19 1 0 3.786220 -2.432758 1.561328 20 6 0 2.013717 1.907259 0.029428 21 1 0 -1.969606 -4.493484 0.234119 22 6 0 -3.107272 0.819472 0.203561 23 1 0 -2.208279 1.177665 0.677936 24 7 0 -4.075036 1.739670 0.080860 25 6 0 -5.318301 1.394395 -0.580040 26 6 0 -3.846666 3.120719 0.431407 27 1 0 -6.059474 2.146854 -0.342904 28 1 0 -5.660946 0.429755 -0.237764 29 1 0 -5.194724 1.348944 -1.657351 30 1 0 -4.621938 3.478433 1.100756 31 1 0 -3.835903 3.757928 -0.449023 32 1 0 -2.893646 3.221206 0.932962 33 7 0 2.969861 2.832411 -0.108807 34 1 0 1.065485 2.278386 0.386601 35 6 0 2.807931 4.154559 0.455642 36 6 0 4.296911 2.432130 -0.535951 37 1 0 3.136756 4.906985 -0.251371 38 1 0 3.382750 4.268582 1.370526 39 1 0 1.766181 4.335908 0.683561 40 1 0 4.861544 3.318334 -0.793100 41 1 0 4.227413 1.792778 -1.403160 42 1 0 4.819049 1.892751 0.247833 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3227860 0.1982702 0.1276098 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.1302765960 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.89D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000075 0.000396 -0.000876 Ang= 0.11 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37921370 A.U. after 12 cycles NFock= 12 Conv=0.58D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000349110 0.000022306 -0.000093793 2 6 -0.000285224 0.000137825 -0.000164570 3 8 0.000051625 -0.000124539 -0.000128385 4 7 -0.000999134 -0.000546814 0.000428289 5 6 0.001375219 0.000313683 -0.000682576 6 6 -0.000094139 0.000011468 0.000032966 7 7 0.000811942 0.000054337 0.000225208 8 6 -0.000984418 -0.000102591 -0.000018734 9 7 0.000085789 0.000570277 -0.000158721 10 6 -0.000306024 -0.000790830 0.000497245 11 7 -0.000550948 0.001527001 -0.000736174 12 6 0.000796203 -0.001464321 0.000590716 13 7 -0.001047010 -0.000323152 0.000424092 14 1 -0.000058399 0.000032362 0.000011256 15 1 0.000067959 -0.000089217 0.000077287 16 1 0.000001516 0.000084514 0.000036068 17 7 0.000317289 0.000288168 -0.000162867 18 1 -0.000102164 -0.000104198 0.000065016 19 1 -0.000093713 -0.000023826 0.000006340 20 6 -0.000408009 -0.000111946 0.000179217 21 1 -0.000052892 0.000039434 0.000019775 22 6 0.001110850 0.000368077 -0.000137713 23 1 0.000001613 0.000028673 0.000046773 24 7 -0.000547820 0.000276858 -0.001247579 25 6 0.000133702 -0.000205820 0.000308766 26 6 -0.000029628 0.000071938 0.000698767 27 1 0.000029947 0.000018964 -0.000207476 28 1 0.000100282 -0.000055147 0.000099839 29 1 -0.000188184 0.000105087 0.000183054 30 1 -0.000008622 0.000028292 -0.000060761 31 1 -0.000041879 -0.000020366 0.000061025 32 1 0.000031815 -0.000087689 -0.000008318 33 7 0.000060145 0.000385031 -0.000002730 34 1 0.000212411 -0.000053332 0.000082185 35 6 0.000378798 -0.000394502 -0.000301682 36 6 -0.000163109 0.000085766 -0.000113757 37 1 0.000072007 0.000206667 0.000120393 38 1 -0.000201653 -0.000310137 -0.000097460 39 1 0.000270291 0.000197110 0.000200054 40 1 -0.000066094 -0.000027468 0.000089319 41 1 0.000041513 0.000149610 -0.000164159 42 1 -0.000070962 -0.000167552 0.000003805 ------------------------------------------------------------------- Cartesian Forces: Max 0.001527001 RMS 0.000405094 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001466987 RMS 0.000216061 Search for a local minimum. Step number 15 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 12 13 14 15 DE= -7.57D-05 DEPred=-7.06D-05 R= 1.07D+00 TightC=F SS= 1.41D+00 RLast= 2.54D-01 DXNew= 2.8153D+00 7.6328D-01 Trust test= 1.07D+00 RLast= 2.54D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00164 0.00242 0.00345 0.00665 0.01085 Eigenvalues --- 0.01194 0.01228 0.01251 0.01401 0.01526 Eigenvalues --- 0.01616 0.02031 0.02115 0.02141 0.02241 Eigenvalues --- 0.02331 0.02442 0.02566 0.02591 0.02638 Eigenvalues --- 0.02723 0.02810 0.02911 0.03256 0.03491 Eigenvalues --- 0.03880 0.05413 0.05494 0.05703 0.05966 Eigenvalues --- 0.06645 0.07414 0.07488 0.07565 0.07588 Eigenvalues --- 0.07637 0.07802 0.07806 0.08002 0.08397 Eigenvalues --- 0.15553 0.15848 0.15906 0.15950 0.15991 Eigenvalues --- 0.15998 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16001 0.16001 0.16007 0.16018 0.16054 Eigenvalues --- 0.16098 0.16231 0.16981 0.17522 0.18409 Eigenvalues --- 0.20833 0.22050 0.22301 0.22771 0.23606 Eigenvalues --- 0.24147 0.24394 0.24561 0.24761 0.24932 Eigenvalues --- 0.24982 0.25204 0.25957 0.26489 0.27464 Eigenvalues --- 0.27950 0.32603 0.32801 0.33211 0.33293 Eigenvalues --- 0.33348 0.33444 0.33539 0.33570 0.33598 Eigenvalues --- 0.33615 0.33664 0.33686 0.33713 0.33762 Eigenvalues --- 0.33788 0.33925 0.35057 0.36115 0.37373 Eigenvalues --- 0.37719 0.39080 0.39668 0.39827 0.40018 Eigenvalues --- 0.40324 0.40609 0.40976 0.41913 0.43163 Eigenvalues --- 0.46075 0.47529 0.48757 0.50284 0.52177 Eigenvalues --- 0.53207 0.54874 0.59495 0.60139 0.65835 Eigenvalues --- 0.70625 0.70930 0.74604 0.76654 0.87628 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 15 14 13 12 11 10 9 8 7 6 RFO step: Lambda=-1.15895825D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.31394 0.09004 0.12123 -0.49885 0.08691 RFO-DIIS coefs: -0.03286 0.01809 -0.03026 -0.06871 0.00045 Iteration 1 RMS(Cart)= 0.03846168 RMS(Int)= 0.00143322 Iteration 2 RMS(Cart)= 0.00153524 RMS(Int)= 0.00003723 Iteration 3 RMS(Cart)= 0.00000308 RMS(Int)= 0.00003716 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003716 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87499 -0.00004 -0.00045 0.00020 -0.00025 2.87474 R2 2.64607 0.00019 -0.00038 0.00050 0.00011 2.64618 R3 2.73105 -0.00005 -0.00035 0.00047 0.00011 2.73116 R4 2.04270 -0.00003 -0.00010 -0.00024 -0.00035 2.04236 R5 2.05395 0.00011 -0.00069 0.00079 0.00011 2.05406 R6 2.04880 0.00009 -0.00043 0.00040 -0.00003 2.04877 R7 2.03950 0.00016 -0.00000 0.00009 0.00009 2.03959 R8 1.79051 -0.00007 -0.00068 0.00051 -0.00017 1.79034 R9 2.60319 0.00033 -0.00153 0.00116 -0.00037 2.60282 R10 2.40421 -0.00077 0.00188 -0.00187 0.00001 2.40422 R11 2.64002 -0.00016 -0.00033 -0.00026 -0.00059 2.63943 R12 2.52069 -0.00101 0.00479 -0.00377 0.00102 2.52171 R13 2.62071 -0.00026 0.00161 -0.00125 0.00036 2.62107 R14 2.61570 -0.00031 0.00264 -0.00200 0.00064 2.61634 R15 2.43943 -0.00053 0.00116 -0.00134 -0.00018 2.43925 R16 2.60468 -0.00003 -0.00030 0.00055 0.00026 2.60494 R17 2.59418 -0.00040 -0.00016 -0.00078 -0.00093 2.59325 R18 2.59383 -0.00061 0.00126 -0.00173 -0.00047 2.59336 R19 2.48720 0.00012 -0.00154 0.00118 -0.00036 2.48684 R20 2.49873 -0.00147 0.00401 -0.00411 -0.00010 2.49863 R21 2.48742 0.00031 -0.00332 0.00278 -0.00054 2.48688 R22 2.03212 -0.00003 -0.00000 0.00001 0.00001 2.03212 R23 2.40741 -0.00010 0.00031 -0.00017 0.00014 2.40755 R24 2.52773 -0.00035 -0.00038 -0.00027 -0.00065 2.52708 R25 2.03920 -0.00021 0.00080 -0.00107 -0.00027 2.03893 R26 2.03663 -0.00003 0.00013 -0.00033 -0.00020 2.03643 R27 2.53420 0.00055 -0.00136 0.00184 0.00048 2.53468 R28 2.73959 -0.00015 -0.00004 -0.00063 -0.00067 2.73892 R29 2.72693 0.00005 -0.00011 0.00003 -0.00009 2.72684 R30 2.04559 0.00006 -0.00017 0.00043 0.00026 2.04586 R31 2.03976 -0.00001 -0.00118 0.00008 -0.00110 2.03866 R32 2.05097 0.00020 0.00039 0.00065 0.00103 2.05201 R33 2.05019 0.00006 -0.00053 0.00037 -0.00016 2.05003 R34 2.05390 0.00007 0.00006 0.00024 0.00030 2.05421 R35 2.04397 0.00009 -0.00051 0.00042 -0.00009 2.04387 R36 2.73384 -0.00031 -0.00097 -0.00030 -0.00127 2.73257 R37 2.74091 -0.00029 -0.00047 -0.00068 -0.00115 2.73977 R38 2.04766 0.00002 0.00068 0.00016 0.00084 2.04850 R39 2.05314 0.00029 -0.00054 0.00068 0.00014 2.05328 R40 2.04412 -0.00014 -0.00063 -0.00014 -0.00077 2.04335 R41 2.04431 0.00010 0.00005 0.00045 0.00050 2.04481 R42 2.04025 0.00002 -0.00124 0.00028 -0.00096 2.03929 R43 2.05092 0.00004 0.00040 0.00013 0.00053 2.05145 A1 1.95716 0.00013 0.00054 0.00008 0.00063 1.95779 A2 1.97831 -0.00049 -0.00036 -0.00113 -0.00149 1.97682 A3 1.90861 0.00016 0.00044 0.00052 0.00095 1.90956 A4 1.87704 0.00014 -0.00039 0.00042 0.00004 1.87708 A5 1.91834 -0.00006 0.00009 -0.00042 -0.00033 1.91801 A6 1.81904 0.00013 -0.00040 0.00055 0.00015 1.81919 A7 1.90806 0.00010 0.00016 0.00125 0.00141 1.90947 A8 1.92402 -0.00003 -0.00049 -0.00027 -0.00076 1.92326 A9 1.93412 -0.00000 -0.00025 -0.00032 -0.00057 1.93355 A10 1.88355 -0.00002 0.00039 -0.00027 0.00011 1.88366 A11 1.90268 -0.00006 -0.00019 -0.00025 -0.00044 1.90225 A12 1.91057 0.00001 0.00040 -0.00013 0.00026 1.91083 A13 1.90328 0.00009 -0.00148 0.00143 -0.00005 1.90323 A14 2.08454 0.00029 0.00063 0.00053 0.00116 2.08571 A15 2.20251 -0.00023 0.00629 -0.00377 0.00251 2.20502 A16 2.02637 0.00014 -0.00521 0.00286 -0.00235 2.02402 A17 2.05350 0.00008 -0.00131 0.00107 -0.00024 2.05326 A18 2.33588 0.00011 0.00059 -0.00021 0.00038 2.33626 A19 2.03105 -0.00006 -0.00040 0.00041 0.00001 2.03105 A20 1.91596 -0.00006 -0.00024 -0.00018 -0.00042 1.91554 A21 1.83552 0.00008 -0.00042 0.00073 0.00031 1.83583 A22 1.97796 -0.00010 0.00080 -0.00106 -0.00025 1.97771 A23 2.22104 0.00056 -0.00028 0.00101 0.00072 2.22176 A24 2.08392 -0.00047 -0.00057 0.00004 -0.00054 2.08338 A25 2.26521 -0.00034 -0.00032 -0.00091 -0.00126 2.26396 A26 2.16408 0.00031 -0.00051 0.00103 0.00048 2.16457 A27 1.84600 0.00003 0.00032 -0.00003 0.00028 1.84628 A28 1.84910 0.00004 -0.00044 0.00050 0.00006 1.84916 A29 2.20704 -0.00027 0.00219 -0.00213 0.00006 2.20709 A30 2.22684 0.00023 -0.00172 0.00161 -0.00011 2.22673 A31 1.95162 0.00022 -0.00234 0.00234 -0.00001 1.95162 A32 2.23705 0.00002 0.00142 -0.00130 0.00010 2.23715 A33 2.02355 0.00004 -0.00120 0.00119 -0.00001 2.02354 A34 2.02258 -0.00007 -0.00019 0.00011 -0.00009 2.02249 A35 2.08603 0.00001 0.00043 -0.00036 0.00006 2.08610 A36 2.03253 0.00018 -0.00051 0.00062 0.00011 2.03264 A37 2.14518 -0.00010 0.00094 0.00053 0.00147 2.14665 A38 2.12881 -0.00004 0.00049 -0.00135 -0.00086 2.12795 A39 2.00916 0.00014 -0.00144 0.00085 -0.00059 2.00856 A40 2.15388 -0.00001 0.00073 -0.00061 0.00012 2.15399 A41 2.13124 0.00000 -0.00004 0.00075 0.00070 2.13194 A42 1.99784 0.00001 -0.00059 -0.00018 -0.00078 1.99706 A43 2.09112 -0.00013 0.00381 -0.00149 0.00227 2.09340 A44 2.11797 0.00001 0.00003 -0.00111 -0.00113 2.11684 A45 2.06508 0.00010 -0.00390 0.00038 -0.00356 2.06152 A46 1.89839 -0.00001 0.00002 0.00005 0.00007 1.89845 A47 1.91827 -0.00013 -0.00169 -0.00079 -0.00247 1.91579 A48 1.94426 0.00012 0.00116 0.00063 0.00179 1.94605 A49 1.91177 0.00001 0.00128 -0.00061 0.00067 1.91244 A50 1.90130 -0.00002 -0.00129 0.00024 -0.00105 1.90025 A51 1.88965 0.00003 0.00053 0.00047 0.00100 1.89065 A52 1.93087 -0.00005 -0.00125 0.00002 -0.00122 1.92964 A53 1.94537 0.00005 0.00072 0.00031 0.00102 1.94640 A54 1.91878 -0.00001 0.00049 -0.00071 -0.00023 1.91855 A55 1.88972 0.00002 -0.00053 0.00042 -0.00010 1.88962 A56 1.88905 0.00001 0.00033 0.00009 0.00041 1.88946 A57 1.88855 -0.00001 0.00027 -0.00012 0.00014 1.88869 A58 2.10804 0.00001 0.00524 -0.00094 0.00402 2.11206 A59 2.08698 0.00011 0.00393 0.00040 0.00407 2.09105 A60 2.05955 -0.00011 -0.00741 0.00121 -0.00644 2.05312 A61 1.92418 -0.00032 0.00386 -0.00198 0.00188 1.92606 A62 1.94469 0.00057 -0.00434 0.00361 -0.00074 1.94395 A63 1.92115 -0.00055 0.00113 -0.00317 -0.00205 1.91909 A64 1.89231 0.00002 -0.00022 0.00083 0.00061 1.89293 A65 1.88948 0.00016 0.00195 -0.00089 0.00104 1.89052 A66 1.89073 0.00013 -0.00227 0.00159 -0.00070 1.89003 A67 1.89807 0.00002 -0.00066 0.00025 -0.00041 1.89766 A68 1.91886 -0.00025 -0.00011 -0.00145 -0.00157 1.91730 A69 1.94406 0.00008 0.00036 0.00048 0.00084 1.94490 A70 1.90475 0.00012 0.00012 0.00075 0.00086 1.90561 A71 1.90465 -0.00005 -0.00034 -0.00055 -0.00090 1.90376 A72 1.89309 0.00008 0.00065 0.00054 0.00119 1.89427 D1 1.08581 0.00006 -0.01097 0.00523 -0.00574 1.08007 D2 -3.12958 0.00008 -0.01069 0.00550 -0.00519 -3.13478 D3 -1.01172 0.00007 -0.01068 0.00494 -0.00575 -1.01747 D4 -3.06784 -0.00003 -0.01133 0.00501 -0.00632 -3.07417 D5 -1.00005 -0.00001 -0.01105 0.00527 -0.00578 -1.00583 D6 1.11781 -0.00003 -0.01105 0.00471 -0.00633 1.11148 D7 -1.04669 -0.00006 -0.01176 0.00535 -0.00641 -1.05310 D8 1.02111 -0.00004 -0.01148 0.00562 -0.00587 1.01524 D9 3.13897 -0.00005 -0.01147 0.00506 -0.00642 3.13255 D10 -1.08961 -0.00020 0.00624 0.00172 0.00796 -1.08166 D11 3.00726 0.00024 0.00661 0.00279 0.00940 3.01666 D12 1.03733 0.00005 0.00723 0.00214 0.00937 1.04670 D13 -1.10647 0.00011 -0.01825 0.01027 -0.00797 -1.11444 D14 2.18954 0.00009 -0.01265 0.00942 -0.00324 2.18630 D15 1.06714 0.00004 -0.01808 0.00992 -0.00815 1.05898 D16 -1.92004 0.00002 -0.01248 0.00907 -0.00342 -1.92346 D17 3.10319 0.00009 -0.01834 0.00989 -0.00844 3.09475 D18 0.11601 0.00007 -0.01274 0.00904 -0.00371 0.11231 D19 -0.50812 -0.00017 0.02020 -0.01052 0.00968 -0.49844 D20 2.67781 -0.00006 0.02669 -0.01504 0.01165 2.68946 D21 -0.03966 0.00009 0.00169 0.00160 0.00329 -0.03637 D22 3.12606 -0.00006 -0.00300 0.00440 0.00140 3.12745 D23 0.01898 0.00003 0.00198 -0.00190 0.00011 0.01910 D24 -3.09322 0.00007 0.00514 -0.00319 0.00198 -3.09123 D25 3.11562 -0.00008 -0.00466 0.00272 -0.00193 3.11369 D26 0.00342 -0.00004 -0.00150 0.00143 -0.00006 0.00336 D27 3.10771 -0.00004 -0.00157 0.00106 -0.00043 3.10728 D28 0.00651 0.00007 0.00421 -0.00292 0.00128 0.00779 D29 -3.11762 -0.00004 0.00159 -0.00145 0.00014 -3.11748 D30 -0.00401 -0.00008 -0.00142 -0.00021 -0.00164 -0.00565 D31 3.11028 0.00003 -0.00059 0.00004 -0.00055 3.10973 D32 -0.01086 0.00001 -0.00213 0.00124 -0.00089 -0.01175 D33 -0.00878 0.00006 0.00183 -0.00095 0.00088 -0.00791 D34 -3.12993 0.00004 0.00028 0.00025 0.00054 -3.12939 D35 0.01582 0.00006 0.00047 0.00133 0.00181 0.01763 D36 3.13258 -0.00005 -0.00236 0.00094 -0.00142 3.13116 D37 -3.03027 -0.00007 0.00550 -0.00277 0.00272 -3.02755 D38 -0.02158 -0.00003 0.00063 -0.00194 -0.00131 -0.02288 D39 0.13400 0.00002 0.00809 -0.00243 0.00565 0.13966 D40 -3.14048 0.00006 0.00323 -0.00160 0.00162 -3.13886 D41 0.36088 0.00014 0.01705 0.00706 0.02411 0.38499 D42 -2.80689 0.00002 0.01408 0.00664 0.02071 -2.78618 D43 3.03578 -0.00004 -0.00595 0.00225 -0.00371 3.03206 D44 -0.12657 -0.00003 -0.00431 0.00097 -0.00337 -0.12994 D45 0.01730 -0.00002 -0.00147 0.00166 0.00019 0.01749 D46 3.13814 -0.00000 0.00017 0.00038 0.00054 3.13868 D47 0.00686 -0.00000 0.00261 -0.00212 0.00050 0.00736 D48 -3.10991 -0.00002 0.00070 -0.00063 0.00008 -3.10983 D49 0.00486 0.00003 0.00051 0.00043 0.00093 0.00579 D50 -3.14022 -0.00005 -0.00097 0.00053 -0.00044 -3.14066 D51 -0.01172 -0.00007 -0.00400 0.00212 -0.00187 -0.01359 D52 3.13336 0.00001 -0.00252 0.00201 -0.00050 3.13286 D53 -3.05812 0.00014 0.00499 0.00059 0.00559 -3.05253 D54 0.07430 0.00010 0.00337 0.00431 0.00769 0.08199 D55 -2.92959 -0.00004 -0.00173 0.00054 -0.00112 -2.93071 D56 -0.04775 -0.00001 0.00180 0.00371 0.00544 -0.04230 D57 0.22059 0.00000 -0.00022 -0.00293 -0.00309 0.21751 D58 3.10244 0.00004 0.00331 0.00023 0.00348 3.10592 D59 -0.05722 0.00004 0.00350 -0.00672 -0.00323 -0.06045 D60 -3.05252 0.00025 0.00424 0.01117 0.01542 -3.03710 D61 3.10650 -0.00010 -0.00083 -0.00414 -0.00498 3.10152 D62 0.11120 0.00012 -0.00009 0.01375 0.01367 0.12487 D63 2.86856 -0.00010 -0.05432 -0.00404 -0.05835 2.81020 D64 0.77565 -0.00003 -0.05488 -0.00285 -0.05773 0.71791 D65 -1.31875 -0.00005 -0.05518 -0.00333 -0.05850 -1.37725 D66 -0.41492 -0.00032 -0.05473 -0.02151 -0.07624 -0.49117 D67 -2.50783 -0.00025 -0.05530 -0.02032 -0.07562 -2.58345 D68 1.68096 -0.00027 -0.05559 -0.02079 -0.07639 1.60457 D69 -2.25018 -0.00011 -0.00851 -0.00482 -0.01332 -2.26350 D70 1.92935 -0.00013 -0.00749 -0.00558 -0.01305 1.91630 D71 -0.16473 -0.00014 -0.00859 -0.00515 -0.01373 -0.17846 D72 1.03558 0.00012 -0.00839 0.01295 0.00454 1.04012 D73 -1.06807 0.00011 -0.00738 0.01220 0.00481 -1.06327 D74 3.12103 0.00010 -0.00848 0.01263 0.00413 3.12516 D75 -2.38749 0.00024 0.09280 -0.00199 0.09080 -2.29669 D76 1.79374 0.00006 0.09333 -0.00409 0.08925 1.88298 D77 -0.30421 -0.00011 0.09831 -0.00633 0.09197 -0.21224 D78 1.00988 0.00017 0.08789 -0.00500 0.08289 1.09277 D79 -1.09208 -0.00001 0.08842 -0.00709 0.08134 -1.01074 D80 3.09316 -0.00017 0.09339 -0.00933 0.08406 -3.10596 D81 2.93230 -0.00014 -0.04875 -0.00715 -0.05596 2.87634 D82 0.84780 -0.00015 -0.04842 -0.00734 -0.05583 0.79197 D83 -1.25117 -0.00014 -0.04938 -0.00737 -0.05682 -1.30799 D84 -0.46188 -0.00009 -0.04382 -0.00438 -0.04813 -0.51002 D85 -2.54639 -0.00010 -0.04349 -0.00458 -0.04800 -2.59439 D86 1.63783 -0.00009 -0.04446 -0.00460 -0.04899 1.58884 Item Value Threshold Converged? Maximum Force 0.001467 0.000450 NO RMS Force 0.000216 0.000300 YES Maximum Displacement 0.222665 0.001800 NO RMS Displacement 0.038529 0.001200 NO Predicted change in Energy=-3.893284D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.950016 -4.940518 2.064404 2 6 0 7.179417 -5.217984 3.542435 3 8 0 6.828421 -6.119108 1.318091 4 7 0 2.985783 -0.805563 0.087244 5 6 0 4.214283 -1.394804 0.288955 6 6 0 4.455828 -2.596709 0.958225 7 7 0 3.640172 -3.535125 1.572944 8 6 0 4.446129 -4.425533 2.045972 9 7 0 5.773877 -4.140135 1.809688 10 6 0 5.782437 -2.968474 1.095212 11 7 0 6.829589 -2.308949 0.647656 12 6 0 6.480414 -1.193835 0.028898 13 7 0 5.269894 -0.713970 -0.161439 14 1 0 7.765457 -4.344346 1.680091 15 1 0 8.111677 -5.762796 3.667155 16 1 0 7.261882 -4.285804 4.089841 17 7 0 4.115866 -5.554223 2.753193 18 1 0 6.371812 -5.805517 3.951676 19 1 0 7.636273 -6.609961 1.381524 20 6 0 2.926645 -5.987539 2.607866 21 1 0 7.287235 -0.602056 -0.365089 22 6 0 1.945752 -1.534628 0.013501 23 1 0 1.970138 -2.610579 0.068529 24 7 0 0.721810 -1.016088 -0.165815 25 6 0 0.544197 0.421776 -0.206861 26 6 0 -0.457767 -1.845938 -0.119453 27 1 0 -0.403939 0.642337 -0.680632 28 1 0 1.344530 0.872247 -0.772877 29 1 0 0.547125 0.851767 0.790246 30 1 0 -1.080653 -1.671680 -0.990370 31 1 0 -1.051077 -1.646319 0.769250 32 1 0 -0.174032 -2.889576 -0.109114 33 7 0 2.435644 -7.015811 3.307780 34 1 0 2.237942 -5.540162 1.908092 35 6 0 1.184467 -7.639161 2.937713 36 6 0 3.287061 -7.721428 4.245424 37 1 0 0.545477 -7.747167 3.806691 38 1 0 1.344807 -8.622531 2.504278 39 1 0 0.668477 -7.027724 2.210322 40 1 0 2.664803 -8.322466 4.895357 41 1 0 3.841913 -7.013153 4.841278 42 1 0 3.992221 -8.367766 3.732121 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521246 0.000000 3 O 1.400300 2.425475 0.000000 4 N 6.059881 6.999598 6.671928 0.000000 5 C 4.817525 5.830425 5.496534 1.377354 0.000000 6 C 3.596949 4.578991 4.262159 2.475449 1.396726 7 N 3.629288 4.386019 4.111795 3.175853 2.561095 8 C 2.556364 3.215314 3.012196 4.367312 3.510866 9 N 1.445267 2.477845 2.295663 4.675430 3.504540 10 C 2.488279 3.605655 3.327199 3.676338 2.363387 11 N 2.991126 4.118812 3.868695 4.165222 2.793591 12 C 4.289691 5.387702 5.103082 3.516619 2.289840 13 N 5.063684 6.136050 5.816661 2.299434 1.334431 14 H 1.080769 2.138927 2.039329 6.156739 4.821400 15 H 2.143457 1.086960 2.700334 7.979017 6.758792 16 H 2.151350 1.084165 3.351341 6.813067 5.665022 17 N 2.980515 3.181400 3.120348 5.561848 4.835589 18 H 2.155073 1.079305 2.691208 7.169280 6.125753 19 H 1.929848 2.610719 0.947409 7.549388 6.332581 20 C 4.192746 4.421731 4.111532 5.762805 5.303639 21 H 4.983814 6.048732 5.786317 4.329954 3.240255 22 C 6.391318 7.308333 6.823480 1.272258 2.289467 23 H 5.849044 6.782564 6.121609 2.071224 2.561813 24 N 7.691916 8.550306 8.095276 2.287779 3.542260 25 C 8.657214 9.481047 9.197832 2.748491 4.124964 26 C 8.319910 9.116287 8.568258 3.603212 4.711514 27 H 9.632453 10.473058 10.100449 3.765138 5.139846 28 H 8.559198 9.474109 9.128212 2.499713 3.808213 29 H 8.727604 9.402326 9.398213 3.031173 4.329714 30 H 9.192855 10.067340 9.362802 4.295033 5.454326 31 H 8.749095 9.390867 9.077090 4.179503 5.293200 32 H 7.725451 8.533961 7.842266 3.790264 4.652967 33 N 5.121755 5.078447 4.905041 7.017242 6.623638 34 H 4.752646 5.214695 4.664309 5.127493 4.869448 35 C 6.425487 6.493628 6.065307 7.620234 7.428842 36 C 5.089946 4.681011 4.865998 8.075297 7.519279 37 H 7.206314 7.104629 6.951194 8.244711 8.135547 38 H 6.720794 6.834573 6.143630 8.345050 8.085889 39 H 6.620835 6.887817 6.290197 6.970844 6.927783 40 H 6.149383 5.643575 5.915009 8.928875 8.462406 41 H 4.654799 4.006065 4.704402 7.865620 7.240729 42 H 4.824506 4.485011 4.350636 8.454878 7.779904 6 7 8 9 10 6 C 0.000000 7 N 1.387011 0.000000 8 C 2.127882 1.290794 0.000000 9 N 2.201000 2.230422 1.378476 0.000000 10 C 1.384509 2.266853 2.193783 1.372348 0.000000 11 N 2.411223 3.540063 3.480818 2.412071 1.315981 12 C 2.632614 3.991578 4.318655 3.514412 2.184844 13 N 2.336891 3.690935 4.396243 3.984714 2.631476 14 H 3.811688 4.205270 3.340419 2.006213 2.483440 15 H 5.543251 5.416880 4.225251 3.398312 4.455163 16 H 4.531445 4.473820 3.482153 2.726623 3.590531 17 N 3.476259 2.386636 1.372289 2.374626 3.494633 18 H 4.788339 4.274915 3.040447 2.778333 4.068852 19 H 5.138152 5.045799 3.923039 3.122801 4.096231 20 C 4.069084 2.755816 2.250427 3.486649 4.422491 21 H 3.707649 5.065564 5.338920 4.420171 3.161776 22 C 2.884615 3.050395 4.328990 4.966839 4.236292 23 H 2.640153 2.430445 3.651694 4.454167 3.964315 24 N 4.207698 4.229145 5.512428 6.259845 5.568837 25 C 5.076370 5.330087 6.617910 7.226828 6.374037 26 C 5.086105 4.744540 5.949081 6.915078 6.455667 27 H 6.065856 6.235754 7.526011 8.199947 7.379894 28 H 4.970970 5.495250 6.755168 7.170267 6.159214 29 H 5.215187 5.424425 6.680493 7.299129 6.488124 30 H 5.941828 5.685876 6.881017 7.805009 7.289261 31 H 5.591508 5.120677 6.290733 7.340410 6.967874 32 H 4.760313 4.218317 5.324419 6.373642 6.077512 33 N 5.397223 4.071329 3.513367 4.653772 5.698896 34 H 3.805940 2.469564 2.477397 3.804286 4.453964 35 C 6.328230 4.973549 4.664873 5.880332 6.808190 36 C 6.199551 4.979153 4.128432 4.994269 6.224252 37 H 7.066245 5.684018 5.417423 6.658443 7.590374 38 H 6.955521 5.658426 5.238610 6.339637 7.324370 39 H 5.962019 4.629846 4.590105 5.879098 6.623713 40 H 7.175867 5.908333 5.145697 6.056367 7.268147 41 H 5.912695 4.776964 3.856759 4.601875 5.844491 42 H 6.419854 5.304753 4.311651 4.974225 6.269810 11 12 13 14 15 11 N 0.000000 12 C 1.322219 0.000000 13 N 2.373024 1.316000 0.000000 14 H 2.466701 3.781996 4.774798 0.000000 15 H 4.763421 6.064102 6.944387 2.465824 0.000000 16 H 3.992928 5.163547 5.899101 2.462500 1.755653 17 N 4.725398 5.659140 5.766708 3.991850 4.104307 18 H 4.832401 6.055378 6.637454 3.039303 1.763493 19 H 4.437117 5.700880 6.537828 2.288852 2.483507 20 C 5.710291 6.500766 6.400813 5.193742 5.296901 21 H 2.036805 1.075354 2.030680 4.291409 6.600904 22 C 4.985337 4.547476 3.428412 6.673905 8.321371 23 H 4.903124 4.727719 3.812926 6.260096 7.784926 24 N 6.295886 5.764636 4.558109 8.006099 9.582955 25 C 6.906027 6.156659 4.860473 8.855682 10.513024 26 C 7.342233 6.970337 5.838597 8.780763 10.154582 27 H 7.924542 7.160257 5.856749 9.857944 11.508462 28 H 6.497983 5.593643 4.277665 8.628916 10.465751 29 H 7.034189 6.322030 5.065747 8.938442 10.452344 30 H 8.103157 7.644408 6.475630 9.619156 11.087321 31 H 7.909410 7.581308 6.456790 9.265002 10.454630 32 H 7.068276 6.868496 5.862792 8.267593 9.548223 33 N 6.966890 7.810675 7.731860 6.180048 5.823791 34 H 5.754360 6.357712 6.063648 5.659980 6.135521 35 C 8.094623 8.834619 8.617060 7.466381 7.213811 36 C 7.401917 8.401552 8.512141 6.167791 5.239041 37 H 8.890657 9.614643 9.355856 8.260129 7.823335 38 H 8.566867 9.364161 9.222674 7.759311 7.437802 39 H 7.916316 8.518890 8.164667 7.605839 7.689189 40 H 8.458770 9.437091 9.499837 7.223575 6.142379 41 H 6.974397 7.999072 8.169824 5.701739 4.601396 42 H 7.367079 8.448092 8.681755 5.885240 4.874424 16 17 18 19 20 16 H 0.000000 17 N 3.645947 0.000000 18 H 1.766590 2.566866 0.000000 19 H 3.588433 3.922923 2.975176 0.000000 20 C 4.887375 1.274021 3.702450 4.906314 0.000000 21 H 5.780747 6.656217 6.822643 6.266371 7.540334 22 C 7.242013 5.326580 7.303405 7.746775 5.246075 23 H 6.854187 4.525109 6.682903 7.058619 4.332089 24 N 8.460153 6.374550 8.474366 9.027484 6.104910 25 C 9.260143 7.565137 9.488609 10.112657 7.394462 26 C 9.124915 6.551457 8.882314 9.511168 6.003780 27 H 10.286340 8.403401 10.437620 11.022401 8.115557 28 H 9.233989 7.836644 9.601432 10.010540 7.809557 29 H 9.075788 7.591165 9.393671 10.309366 7.466055 30 H 10.111383 7.489473 9.851480 10.295499 6.901621 31 H 9.332657 6.775326 9.084385 10.024105 6.168385 32 H 8.652946 5.804857 8.236552 8.778617 5.156894 33 N 5.599743 2.294984 4.168073 5.560730 1.337275 34 H 5.619022 2.059366 4.619039 5.528446 1.078953 35 C 7.036147 3.601959 5.594543 6.716157 2.423187 36 C 5.256132 2.758704 3.643171 5.324747 2.412025 37 H 7.561170 4.320479 6.143061 7.579845 3.194281 38 H 7.505530 4.141889 5.941490 6.700266 3.075081 39 H 7.384017 3.788193 6.087211 7.029340 2.517806 40 H 6.170626 3.789144 4.579026 6.324176 3.279185 41 H 4.438387 2.561957 2.941117 5.150692 2.622542 42 H 5.242238 2.981545 3.503681 4.679134 2.839874 21 22 23 24 25 21 H 0.000000 22 C 5.435482 0.000000 23 H 5.700325 1.077634 0.000000 24 N 6.581484 1.341294 2.038539 0.000000 25 C 6.822157 2.416698 3.362190 1.449374 0.000000 26 C 7.848097 2.427239 2.552398 1.442983 2.480745 27 H 7.797579 3.277506 4.096211 2.069474 1.082621 28 H 6.136416 2.602481 3.637228 2.078969 1.078810 29 H 6.991243 2.873042 3.812307 2.105577 1.085875 30 H 8.459114 3.191499 3.363052 2.087717 2.763436 31 H 8.479661 3.092671 3.247853 2.101111 2.788317 32 H 7.808250 2.518809 2.169530 2.077428 3.389758 33 N 8.841049 6.413707 5.487760 7.141412 8.440851 34 H 7.419407 4.440626 3.469606 5.202595 6.548779 35 C 9.882971 6.811453 5.842613 7.328781 8.676231 36 C 9.377829 7.614773 6.730640 8.426216 9.677702 37 H 10.672753 7.412470 6.510611 7.817885 9.101661 38 H 10.386228 7.536809 6.516708 8.085512 9.475798 39 H 9.577573 6.052401 5.078658 6.464413 7.832833 40 H 10.423238 8.391918 7.510424 9.098013 10.343663 41 H 8.948668 7.544342 6.757613 8.412539 9.572711 42 H 9.378193 8.044125 7.117298 8.940731 10.230371 26 27 28 29 30 26 C 0.000000 27 H 2.551339 0.000000 28 H 3.326224 1.765931 0.000000 29 H 3.019101 1.764048 1.754887 0.000000 30 H 1.084827 2.430752 3.521417 3.491137 0.000000 31 H 1.087041 2.785479 3.802666 2.965658 1.760051 32 H 1.081570 3.585234 4.110709 3.914916 1.755518 33 N 6.844366 9.089439 8.947835 8.473681 7.707021 34 H 5.002507 7.204466 7.007480 6.705610 5.863387 35 C 6.753120 9.175983 9.286450 8.781439 7.494760 36 C 8.221756 10.384704 10.139429 9.640808 9.115367 37 H 7.158604 9.561446 9.793122 9.112663 7.909971 38 H 7.487019 9.951862 10.044430 9.661084 8.149218 39 H 5.791993 8.266651 8.471486 8.007355 6.480053 40 H 8.766081 10.994386 10.881854 10.271468 9.638629 41 H 8.354412 10.350134 9.996759 9.440522 9.315100 42 H 8.784717 10.953564 10.615231 10.272445 9.637092 31 32 33 34 35 31 H 0.000000 32 H 1.756821 0.000000 33 N 6.887148 5.959143 0.000000 34 H 5.222703 4.112462 2.043465 0.000000 35 C 6.753817 5.804070 1.446015 2.564317 0.000000 36 C 8.234693 7.368036 1.449821 3.364772 2.477454 37 H 6.999670 6.280718 2.087229 3.367490 1.084019 38 H 7.577475 6.481008 2.101688 3.264066 1.086551 39 H 5.830358 4.818078 2.080249 2.183439 1.081295 40 H 8.683516 7.913280 2.068879 4.104531 2.547680 41 H 8.326204 7.591974 2.080677 3.653218 3.328282 42 H 8.910180 7.881834 2.104942 3.794722 3.007562 36 37 38 39 40 36 C 0.000000 37 H 2.776586 0.000000 38 H 2.759697 1.761099 0.000000 39 H 3.388192 1.755313 1.757055 0.000000 40 H 1.082064 2.451062 2.747669 3.587630 0.000000 41 H 1.079146 3.532086 3.779842 4.122237 1.761480 42 H 1.085580 3.502963 2.929386 3.893438 1.765562 41 42 41 H 0.000000 42 H 1.757214 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.482785 -2.268404 0.141830 2 6 0 3.454113 -2.147358 -1.022670 3 8 0 3.056143 -1.861317 1.352773 4 7 0 -3.265251 -0.376736 -0.180402 5 6 0 -2.226708 -1.271360 -0.045557 6 6 0 -0.863900 -0.965787 -0.060481 7 7 0 -0.144846 0.214122 -0.181202 8 6 0 1.095656 -0.141694 -0.154779 9 7 0 1.270058 -1.504650 -0.044639 10 6 0 0.007701 -2.037583 0.031340 11 7 0 -0.322389 -3.306589 0.143017 12 6 0 -1.633897 -3.474340 0.151468 13 7 0 -2.572037 -2.556103 0.058785 14 1 0 2.143022 -3.291295 0.221298 15 1 0 4.308533 -2.796485 -0.849223 16 1 0 2.976248 -2.463512 -1.943053 17 7 0 2.196367 0.671846 -0.253602 18 1 0 3.801017 -1.130761 -1.127963 19 1 0 3.791796 -2.424347 1.551257 20 6 0 2.024694 1.898144 0.046152 21 1 0 -1.977735 -4.489275 0.241296 22 6 0 -3.108577 0.827111 0.200183 23 1 0 -2.204874 1.191054 0.660792 24 7 0 -4.078229 1.745912 0.079146 25 6 0 -5.327177 1.398544 -0.569043 26 6 0 -3.840191 3.133022 0.397679 27 1 0 -6.081166 2.120566 -0.282244 28 1 0 -5.635958 0.411807 -0.261088 29 1 0 -5.229196 1.403660 -1.650476 30 1 0 -4.608737 3.507948 1.065226 31 1 0 -3.833517 3.751913 -0.495958 32 1 0 -2.882826 3.239198 0.889585 33 7 0 2.979174 2.823589 -0.098145 34 1 0 1.086343 2.265177 0.432061 35 6 0 2.837128 4.137979 0.487653 36 6 0 4.294871 2.434934 -0.567051 37 1 0 3.066133 4.903862 -0.244520 38 1 0 3.500523 4.266205 1.338569 39 1 0 1.820239 4.283660 0.825162 40 1 0 4.831235 3.323567 -0.872839 41 1 0 4.201211 1.769203 -1.411199 42 1 0 4.859659 1.929414 0.210090 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3230540 0.1978879 0.1275135 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1829.9461076574 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.90D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999999 0.000142 -0.000431 0.000981 Ang= 0.12 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37929424 A.U. after 11 cycles NFock= 11 Conv=0.99D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000244151 0.000021651 -0.000134873 2 6 -0.000241940 0.000043733 -0.000095574 3 8 -0.000071703 -0.000030363 -0.000091791 4 7 -0.001130311 -0.000840508 0.000420094 5 6 0.001797038 0.000979767 -0.000751685 6 6 0.000049476 -0.000224515 0.000265372 7 7 0.000442660 -0.000140136 0.000006738 8 6 -0.000511544 0.000125268 0.000092247 9 7 0.000136995 0.000353818 -0.000305848 10 6 -0.000499687 -0.000666727 0.000340018 11 7 -0.000426917 0.001336377 -0.000704066 12 6 0.000869240 -0.001214487 0.000622924 13 7 -0.001256469 -0.000666550 0.000337101 14 1 0.000084934 0.000111392 0.000052910 15 1 0.000081141 -0.000024691 0.000002404 16 1 -0.000017939 0.000060847 0.000079659 17 7 -0.000158547 0.000283743 -0.000015393 18 1 -0.000062375 -0.000083542 0.000099358 19 1 -0.000007061 -0.000068606 0.000008166 20 6 0.000021804 -0.000080518 -0.000160289 21 1 -0.000032945 0.000023770 -0.000001081 22 6 0.001204303 0.000478128 0.000271879 23 1 0.000043553 -0.000034706 -0.000032724 24 7 -0.000660958 0.000439809 -0.001147848 25 6 0.000025328 -0.000188117 0.000214843 26 6 0.000083440 0.000031023 0.000587141 27 1 -0.000056652 0.000108194 -0.000227988 28 1 0.000083431 -0.000037937 0.000052628 29 1 -0.000204100 -0.000071703 0.000165114 30 1 -0.000080957 0.000033131 -0.000068148 31 1 0.000065148 0.000043927 0.000057252 32 1 -0.000035761 -0.000155434 -0.000014265 33 7 0.000613236 -0.000609096 -0.000267431 34 1 0.000072364 0.000034214 0.000064940 35 6 -0.000223987 0.000259422 -0.000153220 36 6 -0.000146889 0.000379811 0.000285483 37 1 -0.000013322 -0.000207023 0.000109353 38 1 0.000152699 0.000139935 -0.000083162 39 1 -0.000192598 0.000136641 0.000065501 40 1 -0.000017979 -0.000043737 0.000140953 41 1 0.000086232 0.000066466 -0.000008964 42 1 -0.000106531 -0.000102671 -0.000077732 ------------------------------------------------------------------- Cartesian Forces: Max 0.001797038 RMS 0.000417454 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001245279 RMS 0.000210324 Search for a local minimum. Step number 16 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 14 15 16 DE= -8.05D-05 DEPred=-3.89D-05 R= 2.07D+00 TightC=F SS= 1.41D+00 RLast= 3.05D-01 DXNew= 2.8153D+00 9.1369D-01 Trust test= 2.07D+00 RLast= 3.05D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00087 0.00244 0.00327 0.00594 0.00949 Eigenvalues --- 0.01194 0.01226 0.01250 0.01400 0.01514 Eigenvalues --- 0.01624 0.02048 0.02109 0.02141 0.02237 Eigenvalues --- 0.02323 0.02475 0.02571 0.02605 0.02633 Eigenvalues --- 0.02729 0.02813 0.03012 0.03265 0.03486 Eigenvalues --- 0.03925 0.05413 0.05502 0.05702 0.05938 Eigenvalues --- 0.06656 0.07412 0.07494 0.07566 0.07598 Eigenvalues --- 0.07636 0.07808 0.07815 0.07955 0.08409 Eigenvalues --- 0.15570 0.15847 0.15919 0.15964 0.15991 Eigenvalues --- 0.15995 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16001 0.16006 0.16009 0.16045 0.16075 Eigenvalues --- 0.16113 0.16273 0.16989 0.17445 0.18397 Eigenvalues --- 0.20953 0.22080 0.22307 0.22767 0.23618 Eigenvalues --- 0.24041 0.24184 0.24514 0.24835 0.24929 Eigenvalues --- 0.24988 0.25224 0.25863 0.26517 0.27484 Eigenvalues --- 0.28201 0.32749 0.32825 0.33211 0.33235 Eigenvalues --- 0.33342 0.33455 0.33538 0.33568 0.33602 Eigenvalues --- 0.33622 0.33671 0.33686 0.33747 0.33766 Eigenvalues --- 0.33789 0.33876 0.35000 0.36039 0.37490 Eigenvalues --- 0.37870 0.39079 0.39734 0.39799 0.40035 Eigenvalues --- 0.40287 0.40609 0.41130 0.41864 0.43230 Eigenvalues --- 0.46123 0.47439 0.48849 0.50037 0.52116 Eigenvalues --- 0.53112 0.54530 0.59539 0.59926 0.65707 Eigenvalues --- 0.68933 0.71079 0.74290 0.76324 0.87843 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 16 15 14 13 12 11 10 9 8 7 RFO step: Lambda=-2.08304788D-04. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -0.97161 -1.11924 -0.62602 0.14401 RFO-DIIS coefs: 0.36601 0.01616 0.02253 0.01334 0.15482 Iteration 1 RMS(Cart)= 0.05202161 RMS(Int)= 0.00181718 Iteration 2 RMS(Cart)= 0.00230194 RMS(Int)= 0.00012538 Iteration 3 RMS(Cart)= 0.00000509 RMS(Int)= 0.00012532 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00012532 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87474 0.00005 -0.00044 0.00000 -0.00044 2.87430 R2 2.64618 0.00013 0.00177 -0.00156 0.00020 2.64639 R3 2.73116 -0.00002 0.00051 -0.00012 0.00039 2.73155 R4 2.04236 0.00011 -0.00156 0.00119 -0.00037 2.04198 R5 2.05406 0.00008 0.00159 -0.00136 0.00023 2.05428 R6 2.04877 0.00009 0.00076 -0.00060 0.00016 2.04893 R7 2.03959 0.00013 0.00047 -0.00029 0.00018 2.03977 R8 1.79034 0.00003 -0.00032 -0.00012 -0.00044 1.78991 R9 2.60282 0.00047 0.00163 0.00079 0.00242 2.60524 R10 2.40422 -0.00074 -0.00239 0.00020 -0.00219 2.40203 R11 2.63943 -0.00005 -0.00303 0.00339 0.00036 2.63978 R12 2.52171 -0.00122 -0.00269 0.00010 -0.00259 2.51911 R13 2.62107 -0.00030 -0.00186 0.00091 -0.00095 2.62012 R14 2.61634 -0.00045 -0.00066 0.00075 0.00008 2.61642 R15 2.43925 -0.00052 -0.00299 0.00177 -0.00121 2.43803 R16 2.60494 0.00012 0.00091 0.00169 0.00260 2.60754 R17 2.59325 -0.00028 -0.00323 0.00134 -0.00189 2.59136 R18 2.59336 -0.00046 -0.00435 0.00129 -0.00307 2.59029 R19 2.48684 0.00020 -0.00001 0.00112 0.00111 2.48796 R20 2.49863 -0.00125 -0.00640 0.00142 -0.00498 2.49366 R21 2.48688 0.00045 0.00275 -0.00033 0.00241 2.48930 R22 2.03212 -0.00001 -0.00019 0.00015 -0.00005 2.03208 R23 2.40755 -0.00021 0.00031 0.00073 0.00104 2.40859 R24 2.52708 -0.00006 -0.00319 0.00086 -0.00234 2.52475 R25 2.03893 -0.00007 -0.00164 0.00154 -0.00010 2.03883 R26 2.03643 0.00003 -0.00070 0.00113 0.00042 2.03686 R27 2.53468 0.00084 0.00350 0.00114 0.00464 2.53932 R28 2.73892 -0.00018 -0.00088 -0.00041 -0.00129 2.73763 R29 2.72684 0.00002 0.00133 -0.00060 0.00074 2.72758 R30 2.04586 0.00017 0.00050 0.00035 0.00085 2.04671 R31 2.03866 0.00002 0.00010 -0.00081 -0.00072 2.03794 R32 2.05201 0.00012 0.00121 -0.00029 0.00092 2.05293 R33 2.05003 0.00011 -0.00063 -0.00027 -0.00090 2.04912 R34 2.05421 0.00002 0.00120 -0.00031 0.00089 2.05510 R35 2.04387 0.00014 0.00089 -0.00042 0.00047 2.04434 R36 2.73257 0.00011 0.00244 -0.00018 0.00226 2.73483 R37 2.73977 -0.00003 -0.00062 -0.00011 -0.00073 2.73904 R38 2.04850 0.00012 -0.00123 0.00068 -0.00055 2.04795 R39 2.05328 -0.00007 0.00036 -0.00155 -0.00119 2.05209 R40 2.04335 0.00013 0.00052 0.00016 0.00067 2.04403 R41 2.04481 0.00012 0.00030 0.00011 0.00042 2.04522 R42 2.03929 0.00008 -0.00020 -0.00070 -0.00090 2.03839 R43 2.05145 0.00003 0.00042 -0.00019 0.00022 2.05167 A1 1.95779 0.00007 0.00159 0.00013 0.00172 1.95951 A2 1.97682 -0.00026 -0.00697 0.00317 -0.00380 1.97303 A3 1.90956 0.00006 0.00439 -0.00217 0.00222 1.91179 A4 1.87708 0.00003 0.00003 -0.00106 -0.00103 1.87605 A5 1.91801 0.00001 0.00135 -0.00049 0.00085 1.91886 A6 1.81919 0.00009 -0.00048 0.00040 -0.00007 1.81912 A7 1.90947 -0.00003 0.00511 -0.00326 0.00185 1.91132 A8 1.92326 0.00004 -0.00162 0.00100 -0.00062 1.92264 A9 1.93355 0.00008 -0.00224 0.00195 -0.00029 1.93327 A10 1.88366 -0.00001 0.00032 -0.00030 0.00002 1.88368 A11 1.90225 -0.00002 -0.00197 0.00080 -0.00117 1.90107 A12 1.91083 -0.00005 0.00047 -0.00025 0.00022 1.91105 A13 1.90323 0.00008 0.00268 -0.00284 -0.00015 1.90308 A14 2.08571 0.00001 0.00476 -0.00157 0.00319 2.08890 A15 2.20502 -0.00073 0.00138 -0.00111 0.00027 2.20530 A16 2.02402 0.00063 -0.00212 0.00120 -0.00091 2.02311 A17 2.05326 0.00011 0.00057 0.00013 0.00069 2.05396 A18 2.33626 -0.00008 0.00046 0.00021 0.00069 2.33695 A19 2.03105 -0.00000 0.00088 -0.00066 0.00021 2.03127 A20 1.91554 0.00008 -0.00129 0.00048 -0.00081 1.91472 A21 1.83583 -0.00001 0.00168 -0.00064 0.00103 1.83686 A22 1.97771 -0.00003 -0.00165 0.00058 -0.00107 1.97664 A23 2.22176 -0.00001 0.00591 -0.00233 0.00358 2.22534 A24 2.08338 0.00004 -0.00424 0.00177 -0.00247 2.08091 A25 2.26396 -0.00008 -0.00333 0.00282 -0.00049 2.26347 A26 2.16457 0.00017 0.00158 -0.00184 -0.00024 2.16433 A27 1.84628 -0.00009 0.00049 -0.00074 -0.00025 1.84603 A28 1.84916 0.00004 0.00069 0.00045 0.00113 1.85030 A29 2.20709 -0.00027 -0.00256 0.00062 -0.00195 2.20515 A30 2.22673 0.00023 0.00184 -0.00102 0.00083 2.22756 A31 1.95162 0.00017 0.00269 -0.00125 0.00144 1.95306 A32 2.23715 -0.00002 -0.00120 0.00176 0.00058 2.23773 A33 2.02354 0.00005 0.00084 0.00051 0.00137 2.02490 A34 2.02249 -0.00003 0.00030 -0.00226 -0.00195 2.02054 A35 2.08610 0.00002 -0.00040 -0.00057 -0.00097 2.08513 A36 2.03264 -0.00012 0.00096 0.00065 0.00161 2.03426 A37 2.14665 0.00005 0.00312 0.00058 0.00370 2.15035 A38 2.12795 -0.00008 -0.00290 0.00098 -0.00192 2.12604 A39 2.00856 0.00003 -0.00020 -0.00161 -0.00181 2.00676 A40 2.15399 -0.00025 -0.00044 -0.00036 -0.00080 2.15320 A41 2.13194 0.00042 0.00126 0.00253 0.00380 2.13574 A42 1.99706 -0.00017 -0.00081 -0.00220 -0.00301 1.99405 A43 2.09340 0.00023 -0.00148 0.00364 0.00126 2.09466 A44 2.11684 -0.00016 -0.00553 -0.00154 -0.00787 2.10897 A45 2.06152 -0.00010 0.00032 -0.00451 -0.00503 2.05649 A46 1.89845 0.00013 -0.00008 0.00163 0.00155 1.90001 A47 1.91579 -0.00007 -0.00053 -0.00096 -0.00149 1.91430 A48 1.94605 -0.00015 0.00102 -0.00137 -0.00035 1.94570 A49 1.91244 -0.00004 -0.00117 0.00048 -0.00069 1.91175 A50 1.90025 0.00000 0.00006 -0.00092 -0.00086 1.89939 A51 1.89065 0.00012 0.00068 0.00114 0.00181 1.89246 A52 1.92964 0.00002 -0.00434 0.00019 -0.00414 1.92550 A53 1.94640 -0.00016 0.00552 -0.00244 0.00307 1.94947 A54 1.91855 0.00014 -0.00133 0.00276 0.00144 1.91999 A55 1.88962 0.00004 0.00036 -0.00075 -0.00040 1.88922 A56 1.88946 -0.00003 -0.00083 0.00001 -0.00082 1.88865 A57 1.88869 0.00000 0.00056 0.00024 0.00080 1.88949 A58 2.11206 -0.00035 -0.00624 0.00220 -0.00452 2.10753 A59 2.09105 0.00007 0.00531 0.00284 0.00772 2.09878 A60 2.05312 0.00031 0.01204 -0.00245 0.00911 2.06223 A61 1.92606 0.00007 -0.00442 0.00457 0.00015 1.92621 A62 1.94395 -0.00026 0.00579 -0.00926 -0.00345 1.94050 A63 1.91909 0.00012 -0.00046 0.00503 0.00463 1.92372 A64 1.89293 0.00004 -0.00062 -0.00115 -0.00179 1.89113 A65 1.89052 -0.00004 -0.00220 0.00196 -0.00020 1.89032 A66 1.89003 0.00007 0.00163 -0.00104 0.00066 1.89069 A67 1.89766 0.00011 0.00114 0.00124 0.00239 1.90005 A68 1.91730 -0.00001 -0.00251 0.00121 -0.00130 1.91600 A69 1.94490 -0.00014 0.00145 -0.00230 -0.00085 1.94404 A70 1.90561 -0.00002 0.00120 -0.00041 0.00080 1.90640 A71 1.90376 -0.00002 -0.00169 -0.00047 -0.00216 1.90160 A72 1.89427 0.00007 0.00041 0.00072 0.00113 1.89541 D1 1.08007 0.00008 -0.00122 0.00398 0.00276 1.08283 D2 -3.13478 0.00007 0.00131 0.00222 0.00353 -3.13125 D3 -1.01747 0.00008 -0.00066 0.00386 0.00320 -1.01427 D4 -3.07417 -0.00001 -0.00519 0.00505 -0.00014 -3.07431 D5 -1.00583 -0.00002 -0.00265 0.00329 0.00063 -1.00520 D6 1.11148 -0.00001 -0.00463 0.00493 0.00030 1.11178 D7 -1.05310 -0.00002 -0.00710 0.00604 -0.00106 -1.05416 D8 1.01524 -0.00003 -0.00456 0.00428 -0.00029 1.01495 D9 3.13255 -0.00002 -0.00654 0.00592 -0.00062 3.13193 D10 -1.08166 -0.00010 0.00562 0.00654 0.01215 -1.06951 D11 3.01666 0.00015 0.01338 0.00318 0.01657 3.03323 D12 1.04670 0.00002 0.01326 0.00351 0.01677 1.06347 D13 -1.11444 0.00011 0.00327 0.00087 0.00412 -1.11032 D14 2.18630 0.00009 0.01434 -0.00129 0.01306 2.19935 D15 1.05898 0.00005 0.00059 0.00241 0.00300 1.06198 D16 -1.92346 0.00003 0.01167 0.00025 0.01193 -1.91153 D17 3.09475 0.00012 0.00191 0.00157 0.00347 3.09822 D18 0.11231 0.00010 0.01298 -0.00058 0.01241 0.12471 D19 -0.49844 -0.00005 0.01663 -0.00125 0.01538 -0.48306 D20 2.68946 -0.00008 0.02083 -0.00702 0.01381 2.70327 D21 -0.03637 0.00008 0.00906 0.00033 0.00939 -0.02698 D22 3.12745 0.00009 0.00777 0.00240 0.01017 3.13763 D23 0.01910 0.00000 0.00153 -0.00091 0.00064 0.01973 D24 -3.09123 -0.00002 -0.00156 -0.00209 -0.00363 -3.09486 D25 3.11369 0.00004 -0.00278 0.00497 0.00219 3.11588 D26 0.00336 0.00001 -0.00587 0.00379 -0.00208 0.00129 D27 3.10728 -0.00002 0.00219 0.00027 0.00252 3.10979 D28 0.00779 -0.00002 0.00604 -0.00494 0.00110 0.00889 D29 -3.11748 -0.00002 -0.00470 0.00175 -0.00295 -3.12043 D30 -0.00565 0.00001 -0.00173 0.00286 0.00113 -0.00452 D31 3.10973 0.00002 0.00192 0.00113 0.00304 3.11278 D32 -0.01175 0.00001 0.00348 -0.00118 0.00230 -0.00945 D33 -0.00791 0.00000 -0.00048 0.00023 -0.00024 -0.00815 D34 -3.12939 -0.00001 0.00108 -0.00209 -0.00099 -3.13038 D35 0.01763 -0.00002 0.00333 -0.00499 -0.00166 0.01598 D36 3.13116 -0.00002 0.00432 -0.00441 -0.00010 3.13106 D37 -3.02755 -0.00002 0.00570 0.00353 0.00923 -3.01833 D38 -0.02288 0.00002 -0.00369 0.00524 0.00155 -0.02134 D39 0.13966 -0.00002 0.00464 0.00308 0.00771 0.14736 D40 -3.13886 0.00002 -0.00476 0.00478 0.00003 -3.13884 D41 0.38499 0.00001 -0.03705 -0.00023 -0.03728 0.34771 D42 -2.78618 0.00001 -0.03596 0.00035 -0.03561 -2.82179 D43 3.03206 -0.00000 -0.00685 -0.00101 -0.00786 3.02421 D44 -0.12994 0.00000 -0.00852 0.00137 -0.00714 -0.13708 D45 0.01749 -0.00001 0.00234 -0.00304 -0.00071 0.01679 D46 3.13868 -0.00001 0.00068 -0.00067 0.00001 3.13868 D47 0.00736 -0.00002 -0.00088 -0.00036 -0.00125 0.00611 D48 -3.10983 -0.00003 0.00105 -0.00319 -0.00214 -3.11197 D49 0.00579 0.00001 0.00088 -0.00083 0.00004 0.00583 D50 -3.14066 0.00000 -0.00383 0.00278 -0.00103 3.14149 D51 -0.01359 0.00001 -0.00369 0.00364 -0.00004 -0.01363 D52 3.13286 0.00002 0.00099 0.00003 0.00103 3.13389 D53 -3.05253 0.00004 -0.00455 -0.00005 -0.00460 -3.05713 D54 0.08199 -0.00008 0.00017 -0.00793 -0.00776 0.07422 D55 -2.93071 -0.00020 -0.04028 -0.01200 -0.05237 -2.98309 D56 -0.04230 -0.00002 0.01466 -0.00037 0.01439 -0.02791 D57 0.21751 -0.00009 -0.04469 -0.00462 -0.04940 0.16810 D58 3.10592 0.00009 0.01026 0.00701 0.01736 3.12328 D59 -0.06045 -0.00006 -0.01588 -0.00557 -0.02145 -0.08191 D60 -3.03710 0.00017 0.03552 0.01212 0.04764 -2.98946 D61 3.10152 -0.00004 -0.01706 -0.00369 -0.02075 3.08077 D62 0.12487 0.00019 0.03434 0.01400 0.04835 0.17322 D63 2.81020 -0.00004 -0.00582 -0.02184 -0.02757 2.78263 D64 0.71791 -0.00003 -0.00402 -0.02285 -0.02678 0.69113 D65 -1.37725 -0.00005 -0.00516 -0.02277 -0.02784 -1.40509 D66 -0.49117 -0.00027 -0.05610 -0.03873 -0.09491 -0.58608 D67 -2.58345 -0.00026 -0.05430 -0.03974 -0.09413 -2.67758 D68 1.60457 -0.00028 -0.05544 -0.03966 -0.09519 1.50938 D69 -2.26350 -0.00016 -0.07421 -0.01944 -0.09350 -2.35700 D70 1.91630 -0.00011 -0.07539 -0.01699 -0.09223 1.82407 D71 -0.17846 -0.00010 -0.07879 -0.01756 -0.09620 -0.27466 D72 1.04012 0.00004 -0.02351 -0.00281 -0.02646 1.01366 D73 -1.06327 0.00008 -0.02469 -0.00036 -0.02519 -1.08846 D74 3.12516 0.00010 -0.02809 -0.00092 -0.02916 3.09601 D75 -2.29669 -0.00015 -0.04215 -0.00160 -0.04384 -2.34053 D76 1.88298 -0.00007 -0.04216 0.00290 -0.03941 1.84358 D77 -0.21224 -0.00008 -0.04781 0.00686 -0.04106 -0.25329 D78 1.09277 -0.00030 -0.09553 -0.01371 -0.10910 0.98367 D79 -1.01074 -0.00023 -0.09553 -0.00921 -0.10467 -1.11541 D80 -3.10596 -0.00023 -0.10119 -0.00525 -0.10632 3.07091 D81 2.87634 -0.00010 -0.06776 -0.02497 -0.09281 2.78353 D82 0.79197 -0.00015 -0.06843 -0.02595 -0.09445 0.69751 D83 -1.30799 -0.00014 -0.06822 -0.02617 -0.09446 -1.40245 D84 -0.51002 -0.00002 -0.01668 -0.01309 -0.02970 -0.53972 D85 -2.59439 -0.00006 -0.01735 -0.01407 -0.03134 -2.62573 D86 1.58884 -0.00006 -0.01713 -0.01429 -0.03135 1.55748 Item Value Threshold Converged? Maximum Force 0.001245 0.000450 NO RMS Force 0.000210 0.000300 YES Maximum Displacement 0.229119 0.001800 NO RMS Displacement 0.051948 0.001200 NO Predicted change in Energy=-2.214789D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.962315 -4.930162 2.066749 2 6 0 7.172163 -5.229512 3.543177 3 8 0 6.855048 -6.096292 1.298780 4 7 0 2.987787 -0.810982 0.075108 5 6 0 4.219562 -1.391188 0.291253 6 6 0 4.462603 -2.594325 0.958157 7 7 0 3.647985 -3.543342 1.556625 8 6 0 4.454348 -4.430371 2.033543 9 7 0 5.783582 -4.132927 1.812977 10 6 0 5.790260 -2.957523 1.107807 11 7 0 6.836546 -2.285611 0.675165 12 6 0 6.486360 -1.172185 0.059569 13 7 0 5.273444 -0.699870 -0.142861 14 1 0 7.777731 -4.322243 1.701831 15 1 0 8.105733 -5.770685 3.674789 16 1 0 7.240025 -4.305204 4.105888 17 7 0 4.128922 -5.566473 2.729102 18 1 0 6.362495 -5.828757 3.931055 19 1 0 7.659458 -6.590710 1.373768 20 6 0 2.933217 -5.989285 2.602412 21 1 0 7.291993 -0.570402 -0.321414 22 6 0 1.951540 -1.543248 -0.000205 23 1 0 1.978711 -2.618296 0.072685 24 7 0 0.724659 -1.034776 -0.204872 25 6 0 0.532807 0.400542 -0.246847 26 6 0 -0.448778 -1.868623 -0.099660 27 1 0 -0.393777 0.614951 -0.765027 28 1 0 1.354455 0.861615 -0.771557 29 1 0 0.482052 0.824481 0.752093 30 1 0 -1.120354 -1.680198 -0.929897 31 1 0 -0.990804 -1.685094 0.825115 32 1 0 -0.164739 -2.912186 -0.124684 33 7 0 2.447109 -7.026363 3.290284 34 1 0 2.232617 -5.520672 1.928923 35 6 0 1.151536 -7.585533 2.968988 36 6 0 3.297002 -7.754533 4.211324 37 1 0 0.576015 -7.747473 3.872879 38 1 0 1.251337 -8.535463 2.452373 39 1 0 0.599582 -6.908029 2.331566 40 1 0 2.672696 -8.289731 4.914989 41 1 0 3.927681 -7.064411 4.749376 42 1 0 3.929076 -8.465911 3.688671 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521015 0.000000 3 O 1.400408 2.426765 0.000000 4 N 6.060623 7.004278 6.662401 0.000000 5 C 4.816577 5.833146 5.486247 1.378632 0.000000 6 C 3.596341 4.579111 4.254832 2.476928 1.396914 7 N 3.628812 4.382851 4.107224 3.177506 2.561178 8 C 2.557497 3.210006 3.013061 4.368780 3.511030 9 N 1.445474 2.474722 2.295047 4.676749 3.504131 10 C 2.486883 3.605914 3.319957 3.678038 2.363738 11 N 2.990982 4.123674 3.861415 4.165038 2.792129 12 C 4.286922 5.391452 5.091013 3.517203 2.289107 13 N 5.062611 6.140820 5.805271 2.298714 1.333058 14 H 1.080572 2.140189 2.039864 6.157820 4.820931 15 H 2.144686 1.087080 2.704746 7.984343 6.762443 16 H 2.150763 1.084248 3.352023 6.821899 5.671519 17 N 2.978542 3.168213 3.123827 5.564222 4.835735 18 H 2.154738 1.079401 2.691293 7.171824 6.126365 19 H 1.929676 2.607039 0.947178 7.544288 6.327697 20 C 4.200274 4.408056 4.134207 5.762384 5.304586 21 H 4.981919 6.054480 5.775068 4.329122 3.238654 22 C 6.391506 7.307462 6.816301 1.271099 2.291723 23 H 5.844427 6.770134 6.113791 2.069933 2.564172 24 N 7.696924 8.556517 8.090833 2.291336 3.547889 25 C 8.666470 9.494358 9.196116 2.756515 4.134249 26 C 8.306061 9.090906 8.554221 3.599879 4.708944 27 H 9.637392 10.486268 10.091856 3.764849 5.140352 28 H 8.546856 9.463851 9.107980 2.486402 3.796515 29 H 8.765731 9.444499 9.423962 3.067859 4.369273 30 H 9.212583 10.068359 9.384878 4.317683 5.485383 31 H 8.678953 9.305095 9.013347 4.141952 5.245884 32 H 7.724604 8.523693 7.838508 3.793863 4.659242 33 N 5.126224 5.061498 4.925550 7.018593 6.625026 34 H 4.768410 5.204777 4.700562 5.117430 4.866472 35 C 6.452145 6.490645 6.126785 7.592160 7.413026 36 C 5.100077 4.673224 4.887982 8.088065 7.530620 37 H 7.210004 7.068097 6.984171 8.267685 8.155111 38 H 6.764774 6.868431 6.219478 8.266454 8.032525 39 H 6.668317 6.890881 6.391903 6.925974 6.906712 40 H 6.148170 5.611774 5.948127 8.913777 8.447581 41 H 4.578264 3.917707 4.627455 7.863686 7.221185 42 H 4.932817 4.584000 4.459595 8.517147 7.853568 6 7 8 9 10 6 C 0.000000 7 N 1.386506 0.000000 8 C 2.127813 1.290151 0.000000 9 N 2.200681 2.230269 1.379850 0.000000 10 C 1.384551 2.265826 2.193384 1.370724 0.000000 11 N 2.410600 3.539178 3.481387 2.411623 1.316570 12 C 2.631641 3.989979 4.317571 3.512027 2.184214 13 N 2.336379 3.689946 4.395940 3.983896 2.632160 14 H 3.811670 4.205065 3.341647 2.006197 2.483015 15 H 5.544524 5.414720 4.221700 3.397202 4.456982 16 H 4.533143 4.470114 3.474230 2.721827 3.592569 17 N 3.475810 2.387271 1.371289 2.373234 3.492172 18 H 4.786363 4.269614 3.032666 2.774389 4.067207 19 H 5.134560 5.041012 3.921109 3.122901 4.094469 20 C 4.070424 2.754488 2.251148 3.491970 4.425847 21 H 3.706618 5.064010 5.338297 4.418429 3.161680 22 C 2.885941 3.049922 4.328470 4.967757 4.238353 23 H 2.637111 2.417492 3.641065 4.449693 3.964147 24 N 4.213912 4.235754 5.518255 6.266016 5.574979 25 C 5.085721 5.339576 6.626943 7.236426 6.383769 26 C 5.076149 4.725615 5.929060 6.901273 6.447424 27 H 6.070687 6.246384 7.536019 8.206596 7.383251 28 H 4.959437 5.484921 6.744111 7.158382 6.147698 29 H 5.251236 5.454199 6.710791 7.335366 6.527417 30 H 5.964041 5.691323 6.886416 7.823271 7.317129 31 H 5.530285 5.050402 6.216633 7.270493 6.905203 32 H 4.762969 4.214502 5.319661 6.373952 6.081374 33 N 5.398517 4.071745 3.513912 4.656872 5.700467 34 H 3.805092 2.460021 2.477052 3.814266 4.461030 35 C 6.318130 4.956444 4.662475 5.891749 6.811772 36 C 6.210432 4.990465 4.139110 5.005115 6.233736 37 H 7.082097 5.698837 5.424738 6.665350 7.601158 38 H 6.916793 5.609595 5.223646 6.350779 7.315948 39 H 5.951237 4.605911 4.592039 5.902879 6.636809 40 H 7.162257 5.895592 5.135336 6.048066 7.255776 41 H 5.885673 4.761283 3.819855 4.545371 5.796271 42 H 6.497374 5.371807 4.393284 5.072688 6.361384 11 12 13 14 15 11 N 0.000000 12 C 1.319586 0.000000 13 N 2.372136 1.317278 0.000000 14 H 2.467335 3.779885 4.774508 0.000000 15 H 4.770149 6.069464 6.950502 2.469440 0.000000 16 H 4.001426 5.172670 5.909123 2.463516 1.755828 17 N 4.723763 5.656296 5.765581 3.989637 4.092805 18 H 4.835228 6.057014 6.639903 3.040053 1.762931 19 H 4.438367 5.697692 6.534158 2.295116 2.483204 20 C 5.715545 6.503486 6.402429 5.201865 5.287032 21 H 2.035324 1.075330 2.030562 4.290195 6.608688 22 C 4.987034 4.550368 3.430260 6.675645 8.321713 23 H 4.906345 4.733953 3.818650 6.259887 7.775160 24 N 6.300334 5.769402 4.561519 8.011790 9.589622 25 C 6.913946 6.165400 4.867788 8.865155 10.526751 26 C 7.338268 6.971837 5.840521 8.771606 10.131743 27 H 7.922435 7.156123 5.850918 9.860772 11.520850 28 H 6.484702 5.582433 4.265205 8.616757 10.456441 29 H 7.075181 6.365373 5.107057 8.978736 10.495660 30 H 8.139717 7.687601 6.516220 9.647917 11.093056 31 H 7.851784 7.533732 6.414706 9.198391 10.371099 32 H 7.074627 6.877403 5.870989 8.270868 9.539797 33 N 6.969988 7.811816 7.732992 6.184738 5.809010 34 H 5.764866 6.363816 6.064573 5.677683 6.132214 35 C 8.103711 8.834936 8.607328 7.494079 7.221682 36 C 7.412280 8.410492 8.522530 6.176982 5.229476 37 H 8.902334 9.628495 9.373405 8.265008 7.787399 38 H 8.568178 9.346060 9.181999 7.804381 7.491398 39 H 7.937892 8.527370 8.155306 7.655631 7.709741 40 H 8.447675 9.422240 9.484288 7.219884 6.115683 41 H 6.920810 7.953581 8.139560 5.624047 4.503841 42 H 7.465300 8.538649 8.763524 5.994136 4.970805 16 17 18 19 20 16 H 0.000000 17 N 3.628401 0.000000 18 H 1.766873 2.549967 0.000000 19 H 3.586633 3.917993 2.966884 0.000000 20 C 4.862629 1.274571 3.681170 4.920226 0.000000 21 H 5.792448 6.653675 6.826256 6.265204 7.544003 22 C 7.242684 5.326955 7.299104 7.742415 5.244478 23 H 6.840600 4.513503 6.664207 7.052926 4.321362 24 N 8.469258 6.382279 8.477815 9.025072 6.107841 25 C 9.277776 7.575856 9.499700 10.114007 7.396630 26 C 9.096222 6.529267 8.850016 9.498030 5.976533 27 H 10.305759 8.418655 10.450922 11.015924 8.125544 28 H 9.226344 7.827682 9.589375 9.994630 7.798140 29 H 9.123147 7.619221 9.431384 10.338602 7.473908 30 H 10.106716 7.486408 9.840347 10.320130 6.890346 31 H 9.239859 6.700886 8.993766 9.959574 6.089564 32 H 8.641109 5.798695 8.219501 8.774677 5.148099 33 N 5.571530 2.296671 4.144284 5.570583 1.336038 34 H 5.593806 2.058727 4.599928 5.559116 1.078900 35 C 7.008766 3.605410 5.582646 6.774027 2.420077 36 C 5.239887 2.770682 3.631034 5.332657 2.415996 37 H 7.504167 4.322977 6.096573 7.599922 3.203390 38 H 7.516221 4.143909 5.969648 6.783027 3.055201 39 H 7.349720 3.796584 6.077364 7.131613 2.522558 40 H 6.114866 3.783494 4.543031 6.347811 3.272298 41 H 4.358775 2.523058 2.850404 5.054233 2.598905 42 H 5.333660 3.060629 3.596506 4.773982 2.881903 21 22 23 24 25 21 H 0.000000 22 C 5.437834 0.000000 23 H 5.707902 1.077858 0.000000 24 N 6.584762 1.343752 2.038926 0.000000 25 C 6.828974 2.419082 3.362458 1.448692 0.000000 26 C 7.852012 2.424312 2.546452 1.443373 2.476749 27 H 7.789282 3.277696 4.096870 2.070332 1.083070 28 H 6.124349 2.595161 3.634862 2.077035 1.078431 29 H 7.033734 2.886432 3.815010 2.105108 1.086361 30 H 8.507025 3.212415 3.389602 2.084779 2.743898 31 H 8.435745 3.059193 3.202349 2.103949 2.796492 32 H 7.818280 2.523514 2.172488 2.078972 3.387575 33 N 8.842889 6.413849 5.477536 7.147171 8.445991 34 H 7.427413 4.429497 3.454544 5.191366 6.533308 35 C 9.886558 6.779773 5.809151 7.291640 8.631443 36 C 9.387087 7.624127 6.726601 8.442444 9.696459 37 H 10.686758 7.442127 6.535862 7.855600 9.130398 38 H 10.374277 7.442882 6.419101 7.974876 9.362386 39 H 9.591256 6.003818 5.040472 6.398771 7.750348 40 H 10.408932 8.378200 7.489639 9.090775 10.331724 41 H 8.899644 7.546317 6.740761 8.435663 9.602757 42 H 9.472542 8.089605 7.146599 8.980519 10.277983 26 27 28 29 30 26 C 0.000000 27 H 2.571746 0.000000 28 H 3.340253 1.765560 0.000000 29 H 2.974011 1.764266 1.756125 0.000000 30 H 1.084348 2.413048 3.551135 3.416169 0.000000 31 H 1.087512 2.859230 3.812522 2.910774 1.759793 32 H 1.081817 3.592101 4.119219 3.892269 1.754811 33 N 6.817636 9.105265 8.939387 8.481723 7.688836 34 H 4.964121 7.197304 6.985510 6.686582 5.845041 35 C 6.682863 9.142144 9.240517 8.723025 7.432077 36 C 8.201182 10.413173 10.141035 9.669008 9.101798 37 H 7.168832 9.611493 9.812907 9.122858 7.921878 38 H 7.338258 9.838096 9.935262 9.544177 8.003707 39 H 5.692586 8.195784 8.400392 7.893052 6.397307 40 H 8.724731 10.998145 10.854570 10.256583 9.603949 41 H 8.346422 10.395010 9.996203 9.491325 9.312709 42 H 8.777315 10.999297 10.654813 10.335224 9.637106 31 32 33 34 35 31 H 0.000000 32 H 1.757912 0.000000 33 N 6.813623 5.950648 0.000000 34 H 5.130351 4.094975 2.041180 0.000000 35 C 6.633324 5.757044 1.447209 2.552278 0.000000 36 C 8.166381 7.364302 1.449436 3.366364 2.484952 37 H 6.963924 6.317375 2.088159 3.388501 1.083729 38 H 7.389366 6.345687 2.099845 3.213390 1.085919 39 H 5.663725 4.752275 2.084826 2.180295 1.081651 40 H 8.588919 7.897299 2.070424 4.096089 2.568413 41 H 8.278187 7.599035 2.079060 3.634739 3.338912 42 H 8.853511 7.883201 2.104100 3.827416 3.001290 36 37 38 39 40 36 C 0.000000 37 H 2.741963 0.000000 38 H 2.808648 1.759212 0.000000 39 H 3.395016 1.755240 1.757248 0.000000 40 H 1.082284 2.403353 2.853966 3.589007 0.000000 41 H 1.078668 3.531074 3.821392 4.116613 1.761767 42 H 1.085699 3.434108 2.950179 3.918451 1.764479 41 42 41 H 0.000000 42 H 1.757639 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.485544 -2.272478 0.141959 2 6 0 3.467418 -2.126955 -1.010530 3 8 0 3.042287 -1.881726 1.366088 4 7 0 -3.264108 -0.382078 -0.172753 5 6 0 -2.223274 -1.277885 -0.051003 6 6 0 -0.860634 -0.970556 -0.062398 7 7 0 -0.142426 0.210885 -0.166191 8 6 0 1.098018 -0.142974 -0.142255 9 7 0 1.273267 -1.508371 -0.047566 10 6 0 0.012443 -2.042097 0.018333 11 7 0 -0.318559 -3.312772 0.114148 12 6 0 -1.627306 -3.481469 0.119439 13 7 0 -2.567657 -2.562669 0.037172 14 1 0 2.147188 -3.296996 0.201247 15 1 0 4.323750 -2.775048 -0.841961 16 1 0 2.998956 -2.428116 -1.940820 17 7 0 2.199634 0.669127 -0.228084 18 1 0 3.811247 -1.107187 -1.093962 19 1 0 3.785683 -2.436255 1.558456 20 6 0 2.022129 1.901061 0.046439 21 1 0 -1.971663 -4.497329 0.195475 22 6 0 -3.107309 0.820584 0.207656 23 1 0 -2.196687 1.187813 0.652279 24 7 0 -4.083236 1.739098 0.109843 25 6 0 -5.334449 1.400939 -0.537321 26 6 0 -3.816886 3.132678 0.375020 27 1 0 -6.096970 2.097343 -0.210790 28 1 0 -5.623232 0.397480 -0.267711 29 1 0 -5.250190 1.455163 -1.619052 30 1 0 -4.599199 3.553995 0.996542 31 1 0 -3.761609 3.713191 -0.542929 32 1 0 -2.876106 3.236535 0.898923 33 7 0 2.978293 2.824987 -0.084364 34 1 0 1.072466 2.274620 0.396610 35 6 0 2.785343 4.166572 0.422917 36 6 0 4.305650 2.444802 -0.525324 37 1 0 3.097149 4.897028 -0.314429 38 1 0 3.359868 4.329534 1.329882 39 1 0 1.740660 4.334816 0.647197 40 1 0 4.810427 3.320844 -0.911446 41 1 0 4.232706 1.703910 -1.305890 42 1 0 4.890695 2.031686 0.290641 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3222140 0.1984869 0.1274467 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1829.9907199261 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.85D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.000249 0.000466 -0.000867 Ang= -0.12 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37939159 A.U. after 12 cycles NFock= 12 Conv=0.98D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000737141 0.000021123 0.000073271 2 6 0.000247314 -0.000343369 0.000168265 3 8 -0.000034059 0.000327872 0.000178072 4 7 -0.000522776 0.000071974 0.000428618 5 6 0.000549149 0.000704835 -0.000700858 6 6 0.000426209 -0.000386493 0.000234087 7 7 -0.000440438 0.000357109 0.000204904 8 6 0.001229356 -0.000059740 -0.000350516 9 7 -0.000653964 -0.000485432 -0.000006211 10 6 -0.000729939 0.000619861 -0.000511533 11 7 0.000150771 -0.000704534 0.000325267 12 6 -0.000131564 0.001144944 -0.000435034 13 7 -0.000256182 -0.000768469 0.000252412 14 1 0.000310367 0.000042511 0.000093756 15 1 0.000139114 0.000086652 -0.000108939 16 1 -0.000005603 -0.000021315 0.000063381 17 7 -0.000361218 -0.000798357 0.000228381 18 1 0.000094712 0.000117847 -0.000016237 19 1 0.000245904 -0.000261495 -0.000020111 20 6 0.000261304 0.000986687 -0.000108910 21 1 0.000064651 -0.000046133 -0.000042330 22 6 0.000319790 -0.000324064 0.000266600 23 1 0.000056249 0.000114157 -0.000232073 24 7 0.000081614 -0.000172507 -0.000792762 25 6 -0.000022173 -0.000054534 0.000166435 26 6 0.000071651 0.000188045 0.000457550 27 1 0.000055865 -0.000034703 -0.000136518 28 1 0.000135188 -0.000120991 0.000142839 29 1 -0.000197962 0.000117748 0.000127489 30 1 -0.000068273 0.000013788 -0.000120196 31 1 -0.000011570 0.000070042 0.000074522 32 1 0.000051698 -0.000008671 -0.000015043 33 7 -0.001674692 0.001554489 0.000550063 34 1 0.000136760 -0.000045989 -0.000026749 35 6 0.001336604 -0.001352206 -0.000240471 36 6 -0.000253577 -0.000542624 -0.000477609 37 1 0.000151581 0.000364564 0.000272620 38 1 -0.000424429 -0.000613717 -0.000198094 39 1 0.000544210 0.000240783 0.000248814 40 1 -0.000097361 -0.000057147 0.000033845 41 1 -0.000060623 0.000149763 -0.000086163 42 1 0.000023485 -0.000092304 0.000035165 ------------------------------------------------------------------- Cartesian Forces: Max 0.001674692 RMS 0.000440976 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001311877 RMS 0.000292672 Search for a local minimum. Step number 17 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 14 15 16 17 DE= -9.74D-05 DEPred=-2.21D-05 R= 4.40D+00 TightC=F SS= 1.41D+00 RLast= 3.78D-01 DXNew= 2.8153D+00 1.1352D+00 Trust test= 4.40D+00 RLast= 3.78D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00077 0.00244 0.00283 0.00542 0.00883 Eigenvalues --- 0.01195 0.01231 0.01250 0.01432 0.01513 Eigenvalues --- 0.01661 0.02044 0.02107 0.02141 0.02238 Eigenvalues --- 0.02322 0.02488 0.02572 0.02619 0.02660 Eigenvalues --- 0.02726 0.02813 0.03028 0.03267 0.03482 Eigenvalues --- 0.03942 0.05417 0.05505 0.05695 0.05980 Eigenvalues --- 0.06697 0.07396 0.07508 0.07573 0.07606 Eigenvalues --- 0.07642 0.07800 0.07815 0.07965 0.08410 Eigenvalues --- 0.15561 0.15841 0.15915 0.15968 0.15988 Eigenvalues --- 0.15997 0.16000 0.16000 0.16000 0.16001 Eigenvalues --- 0.16003 0.16006 0.16013 0.16048 0.16087 Eigenvalues --- 0.16122 0.16281 0.17006 0.17602 0.18375 Eigenvalues --- 0.20987 0.22179 0.22314 0.22804 0.23615 Eigenvalues --- 0.23982 0.24288 0.24505 0.24695 0.24920 Eigenvalues --- 0.24980 0.25549 0.25841 0.26583 0.27497 Eigenvalues --- 0.28404 0.32784 0.32868 0.33098 0.33211 Eigenvalues --- 0.33347 0.33423 0.33538 0.33574 0.33600 Eigenvalues --- 0.33618 0.33670 0.33688 0.33740 0.33766 Eigenvalues --- 0.33785 0.33995 0.34841 0.36015 0.37487 Eigenvalues --- 0.37925 0.39093 0.39787 0.39947 0.40078 Eigenvalues --- 0.40285 0.40624 0.41403 0.41877 0.43250 Eigenvalues --- 0.45988 0.47399 0.49008 0.50060 0.52831 Eigenvalues --- 0.53243 0.54339 0.59489 0.60358 0.65740 Eigenvalues --- 0.70336 0.72487 0.74254 0.76254 0.88069 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 17 16 15 14 13 12 11 10 9 8 RFO step: Lambda=-1.73864143D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.05917 1.86002 -2.00000 -0.58086 0.26071 RFO-DIIS coefs: 0.56870 -0.05669 -0.28694 0.06130 0.11457 Iteration 1 RMS(Cart)= 0.03522486 RMS(Int)= 0.00113785 Iteration 2 RMS(Cart)= 0.00123145 RMS(Int)= 0.00014348 Iteration 3 RMS(Cart)= 0.00000145 RMS(Int)= 0.00014347 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00014347 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87430 0.00020 -0.00023 0.00050 0.00027 2.87457 R2 2.64639 -0.00016 -0.00036 0.00036 -0.00000 2.64638 R3 2.73155 0.00030 0.00074 -0.00076 -0.00002 2.73153 R4 2.04198 0.00023 -0.00060 0.00093 0.00034 2.04232 R5 2.05428 0.00006 0.00081 -0.00067 0.00014 2.05442 R6 2.04893 0.00001 0.00011 -0.00007 0.00005 2.04898 R7 2.03977 -0.00014 0.00011 -0.00003 0.00008 2.03985 R8 1.78991 0.00034 0.00108 -0.00098 0.00010 1.79000 R9 2.60524 -0.00007 0.00053 0.00029 0.00083 2.60606 R10 2.40203 -0.00026 -0.00168 0.00030 -0.00138 2.40065 R11 2.63978 0.00016 -0.00063 0.00075 0.00011 2.63990 R12 2.51911 -0.00051 -0.00254 0.00113 -0.00141 2.51770 R13 2.62012 -0.00007 -0.00075 0.00059 -0.00015 2.61996 R14 2.61642 -0.00064 -0.00117 0.00069 -0.00048 2.61594 R15 2.43803 0.00037 -0.00151 0.00153 0.00002 2.43805 R16 2.60754 -0.00035 0.00086 -0.00040 0.00045 2.60799 R17 2.59136 0.00039 -0.00154 0.00121 -0.00034 2.59102 R18 2.59029 0.00071 -0.00183 0.00150 -0.00034 2.58996 R19 2.48796 0.00015 0.00100 -0.00054 0.00045 2.48841 R20 2.49366 0.00083 -0.00353 0.00259 -0.00095 2.49271 R21 2.48930 -0.00017 0.00230 -0.00160 0.00070 2.48999 R22 2.03208 0.00004 0.00025 -0.00030 -0.00004 2.03204 R23 2.40859 -0.00014 0.00012 -0.00002 0.00010 2.40869 R24 2.52475 0.00051 -0.00079 0.00068 -0.00012 2.52463 R25 2.03883 -0.00009 -0.00121 0.00096 -0.00025 2.03858 R26 2.03686 -0.00013 -0.00061 0.00054 -0.00007 2.03679 R27 2.53932 -0.00007 0.00240 0.00002 0.00242 2.54174 R28 2.73763 -0.00010 -0.00130 0.00009 -0.00120 2.73643 R29 2.72758 -0.00016 -0.00043 0.00033 -0.00009 2.72748 R30 2.04671 0.00001 0.00076 -0.00005 0.00071 2.04742 R31 2.03794 -0.00002 -0.00102 -0.00019 -0.00121 2.03673 R32 2.05293 0.00017 0.00129 0.00025 0.00154 2.05447 R33 2.04912 0.00014 0.00003 0.00007 0.00010 2.04922 R34 2.05510 0.00008 0.00062 -0.00008 0.00054 2.05564 R35 2.04434 0.00002 0.00012 0.00010 0.00021 2.04455 R36 2.73483 -0.00093 -0.00076 -0.00058 -0.00134 2.73348 R37 2.73904 -0.00027 -0.00160 0.00063 -0.00098 2.73806 R38 2.04795 0.00009 0.00072 0.00017 0.00089 2.04884 R39 2.05209 0.00059 0.00024 0.00018 0.00042 2.05251 R40 2.04403 -0.00027 -0.00059 0.00004 -0.00055 2.04348 R41 2.04522 0.00011 0.00081 -0.00005 0.00076 2.04598 R42 2.03839 0.00002 -0.00068 -0.00023 -0.00091 2.03748 R43 2.05167 0.00006 0.00047 0.00019 0.00065 2.05233 A1 1.95951 -0.00028 0.00018 -0.00001 0.00017 1.95968 A2 1.97303 0.00075 -0.00177 0.00177 0.00000 1.97303 A3 1.91179 -0.00031 0.00108 -0.00159 -0.00051 1.91128 A4 1.87605 -0.00015 0.00041 -0.00098 -0.00058 1.87547 A5 1.91886 0.00014 -0.00141 0.00217 0.00077 1.91963 A6 1.81912 -0.00014 0.00153 -0.00136 0.00018 1.81930 A7 1.91132 -0.00021 0.00286 -0.00301 -0.00015 1.91117 A8 1.92264 0.00010 -0.00154 0.00149 -0.00005 1.92259 A9 1.93327 0.00007 -0.00087 0.00124 0.00038 1.93364 A10 1.88368 0.00000 -0.00030 0.00015 -0.00015 1.88353 A11 1.90107 0.00011 -0.00031 0.00051 0.00019 1.90127 A12 1.91105 -0.00007 0.00019 -0.00042 -0.00023 1.91081 A13 1.90308 0.00019 0.00116 -0.00057 0.00059 1.90366 A14 2.08890 -0.00054 0.00115 -0.00110 0.00005 2.08895 A15 2.20530 -0.00065 -0.00074 -0.00093 -0.00167 2.20363 A16 2.02311 0.00049 -0.00012 0.00108 0.00097 2.02408 A17 2.05396 0.00016 0.00070 -0.00015 0.00055 2.05451 A18 2.33695 -0.00013 0.00020 -0.00006 0.00015 2.33710 A19 2.03127 0.00005 0.00056 -0.00072 -0.00017 2.03110 A20 1.91472 0.00008 -0.00078 0.00077 -0.00000 1.91472 A21 1.83686 0.00005 0.00139 -0.00130 0.00009 1.83696 A22 1.97664 -0.00007 -0.00157 0.00129 -0.00029 1.97635 A23 2.22534 -0.00079 0.00173 -0.00233 -0.00060 2.22474 A24 2.08091 0.00086 -0.00018 0.00100 0.00083 2.08174 A25 2.26347 0.00042 -0.00299 0.00228 -0.00068 2.26279 A26 2.16433 -0.00029 0.00189 -0.00161 0.00032 2.16465 A27 1.84603 -0.00013 0.00042 -0.00056 -0.00012 1.84591 A28 1.85030 0.00007 0.00046 -0.00020 0.00025 1.85055 A29 2.20515 -0.00001 -0.00237 0.00193 -0.00044 2.20471 A30 2.22756 -0.00006 0.00188 -0.00172 0.00017 2.22773 A31 1.95306 0.00002 0.00287 -0.00238 0.00047 1.95353 A32 2.23773 -0.00036 -0.00198 0.00168 -0.00028 2.23744 A33 2.02490 0.00012 0.00129 -0.00089 0.00044 2.02534 A34 2.02054 0.00024 0.00056 -0.00076 -0.00016 2.02038 A35 2.08513 0.00014 0.00018 -0.00033 -0.00015 2.08498 A36 2.03426 -0.00085 0.00024 -0.00095 -0.00072 2.03354 A37 2.15035 -0.00015 0.00262 -0.00077 0.00185 2.15220 A38 2.12604 0.00000 -0.00242 0.00145 -0.00097 2.12506 A39 2.00676 0.00015 -0.00017 -0.00066 -0.00084 2.00592 A40 2.15320 0.00014 0.00007 -0.00083 -0.00077 2.15243 A41 2.13574 -0.00035 0.00113 0.00129 0.00241 2.13815 A42 1.99405 0.00020 -0.00120 -0.00062 -0.00182 1.99222 A43 2.09466 -0.00012 0.00100 0.00187 0.00168 2.09634 A44 2.10897 0.00025 -0.00288 -0.00029 -0.00424 2.10473 A45 2.05649 -0.00015 -0.00345 -0.00299 -0.00752 2.04897 A46 1.90001 -0.00005 0.00032 0.00036 0.00068 1.90069 A47 1.91430 -0.00023 -0.00321 0.00005 -0.00316 1.91114 A48 1.94570 0.00017 0.00207 -0.00078 0.00128 1.94698 A49 1.91175 0.00010 0.00000 0.00047 0.00048 1.91223 A50 1.89939 -0.00003 -0.00073 -0.00060 -0.00133 1.89807 A51 1.89246 0.00003 0.00154 0.00051 0.00205 1.89452 A52 1.92550 0.00001 -0.00178 0.00036 -0.00142 1.92408 A53 1.94947 -0.00007 0.00220 -0.00212 0.00008 1.94955 A54 1.91999 -0.00006 -0.00174 0.00274 0.00101 1.92100 A55 1.88922 0.00004 0.00052 -0.00078 -0.00026 1.88896 A56 1.88865 0.00002 0.00042 -0.00014 0.00028 1.88892 A57 1.88949 0.00007 0.00040 -0.00008 0.00033 1.88981 A58 2.10753 0.00112 0.00135 0.00263 0.00384 2.11137 A59 2.09878 0.00015 0.00416 0.00103 0.00506 2.10384 A60 2.06223 -0.00131 -0.00256 -0.00433 -0.00705 2.05518 A61 1.92621 -0.00062 0.00060 -0.00055 0.00005 1.92626 A62 1.94050 0.00106 0.00089 -0.00039 0.00050 1.94100 A63 1.92372 -0.00093 -0.00302 0.00124 -0.00176 1.92196 A64 1.89113 0.00002 0.00085 -0.00049 0.00036 1.89149 A65 1.89032 0.00035 -0.00004 0.00086 0.00083 1.89116 A66 1.89069 0.00014 0.00072 -0.00067 0.00006 1.89075 A67 1.90005 -0.00005 0.00024 0.00009 0.00033 1.90038 A68 1.91600 -0.00027 -0.00267 0.00113 -0.00154 1.91446 A69 1.94404 0.00016 0.00089 -0.00035 0.00055 1.94459 A70 1.90640 0.00012 0.00138 -0.00065 0.00073 1.90713 A71 1.90160 -0.00003 -0.00142 -0.00020 -0.00162 1.89998 A72 1.89541 0.00008 0.00159 -0.00003 0.00156 1.89697 D1 1.08283 -0.00007 -0.00030 0.00271 0.00240 1.08523 D2 -3.13125 -0.00014 0.00015 0.00195 0.00210 -3.12915 D3 -1.01427 -0.00011 -0.00121 0.00323 0.00202 -1.01225 D4 -3.07431 0.00008 -0.00095 0.00272 0.00177 -3.07253 D5 -1.00520 0.00001 -0.00050 0.00196 0.00147 -1.00373 D6 1.11178 0.00004 -0.00186 0.00324 0.00139 1.11317 D7 -1.05416 0.00016 0.00060 0.00107 0.00167 -1.05249 D8 1.01495 0.00009 0.00105 0.00031 0.00136 1.01631 D9 3.13193 0.00012 -0.00031 0.00159 0.00128 3.13321 D10 -1.06951 0.00039 0.00960 0.00273 0.01232 -1.05719 D11 3.03323 -0.00026 0.01143 0.00119 0.01262 3.04585 D12 1.06347 -0.00010 0.01011 0.00223 0.01234 1.07580 D13 -1.11032 -0.00006 -0.00055 -0.00179 -0.00235 -1.11267 D14 2.19935 -0.00004 0.00462 -0.00271 0.00191 2.20127 D15 1.06198 -0.00001 -0.00121 -0.00134 -0.00255 1.05943 D16 -1.91153 0.00000 0.00395 -0.00226 0.00171 -1.90983 D17 3.09822 0.00001 -0.00189 0.00005 -0.00185 3.09637 D18 0.12471 0.00003 0.00327 -0.00087 0.00241 0.12712 D19 -0.48306 -0.00026 -0.00855 -0.00519 -0.01375 -0.49681 D20 2.70327 -0.00024 -0.00466 -0.00524 -0.00990 2.69338 D21 -0.02698 -0.00011 0.00442 -0.00303 0.00138 -0.02560 D22 3.13763 0.00011 0.00398 0.00574 0.00972 -3.13584 D23 0.01973 -0.00001 0.00253 -0.00019 0.00232 0.02206 D24 -3.09486 0.00002 0.00313 0.00024 0.00335 -3.09151 D25 3.11588 -0.00003 -0.00145 -0.00012 -0.00158 3.11430 D26 0.00129 0.00000 -0.00086 0.00031 -0.00055 0.00073 D27 3.10979 -0.00006 -0.00105 -0.00127 -0.00236 3.10743 D28 0.00889 -0.00002 0.00249 -0.00129 0.00121 0.01010 D29 -3.12043 -0.00001 -0.00108 0.00070 -0.00037 -3.12080 D30 -0.00452 -0.00004 -0.00163 0.00027 -0.00136 -0.00588 D31 3.11278 -0.00005 -0.00062 -0.00047 -0.00109 3.11169 D32 -0.00945 0.00000 0.00056 -0.00081 -0.00025 -0.00969 D33 -0.00815 -0.00002 -0.00018 -0.00013 -0.00031 -0.00846 D34 -3.13038 0.00003 0.00100 -0.00047 0.00054 -3.12984 D35 0.01598 0.00010 0.00287 -0.00030 0.00256 0.01854 D36 3.13106 0.00009 0.00191 -0.00182 0.00008 3.13114 D37 -3.01833 -0.00007 0.00126 -0.00043 0.00082 -3.01751 D38 -0.02134 -0.00010 -0.00303 0.00022 -0.00280 -0.02414 D39 0.14736 -0.00004 0.00210 0.00101 0.00310 0.15046 D40 -3.13884 -0.00007 -0.00219 0.00166 -0.00052 -3.13936 D41 0.34771 0.00021 0.02018 0.00239 0.02258 0.37029 D42 -2.82179 0.00019 0.01916 0.00079 0.01995 -2.80184 D43 3.02421 0.00011 -0.00267 0.00095 -0.00172 3.02249 D44 -0.13708 0.00006 -0.00395 0.00135 -0.00259 -0.13967 D45 0.01679 0.00007 0.00179 -0.00005 0.00174 0.01853 D46 3.13868 0.00002 0.00051 0.00035 0.00087 3.13956 D47 0.00611 0.00000 -0.00169 0.00205 0.00034 0.00646 D48 -3.11197 0.00007 -0.00022 0.00161 0.00137 -3.11060 D49 0.00583 -0.00002 0.00361 -0.00321 0.00040 0.00623 D50 3.14149 0.00006 -0.00407 0.00348 -0.00061 3.14088 D51 -0.01363 0.00003 -0.00422 0.00301 -0.00122 -0.01484 D52 3.13389 -0.00005 0.00349 -0.00368 -0.00021 3.13368 D53 -3.05713 -0.00016 0.00445 -0.00463 -0.00018 -3.05731 D54 0.07422 0.00024 0.00868 -0.00183 0.00685 0.08108 D55 -2.98309 0.00064 -0.00652 0.00661 -0.00001 -2.98309 D56 -0.02791 0.00021 0.00936 0.00193 0.01138 -0.01653 D57 0.16810 0.00026 -0.01047 0.00397 -0.00660 0.16151 D58 3.12328 -0.00017 0.00541 -0.00071 0.00479 3.12807 D59 -0.08191 -0.00012 -0.01012 -0.00639 -0.01657 -0.09847 D60 -2.98946 0.00003 0.02911 0.00102 0.03019 -2.95927 D61 3.08077 0.00008 -0.01053 0.00165 -0.00894 3.07182 D62 0.17322 0.00023 0.02870 0.00905 0.03781 0.21103 D63 2.78263 -0.00015 -0.05149 -0.01843 -0.06987 2.71276 D64 0.69113 -0.00010 -0.04977 -0.01926 -0.06897 0.62216 D65 -1.40509 -0.00010 -0.05090 -0.01943 -0.07027 -1.47536 D66 -0.58608 -0.00024 -0.08944 -0.02529 -0.11478 -0.70086 D67 -2.67758 -0.00019 -0.08772 -0.02611 -0.11389 -2.79147 D68 1.50938 -0.00019 -0.08885 -0.02628 -0.11518 1.39420 D69 -2.35700 -0.00006 -0.02359 -0.01140 -0.03480 -2.39180 D70 1.82407 -0.00006 -0.02449 -0.00925 -0.03356 1.79051 D71 -0.27466 -0.00006 -0.02528 -0.00961 -0.03470 -0.30936 D72 1.01366 0.00009 0.01451 -0.00478 0.00954 1.02320 D73 -1.08846 0.00008 0.01360 -0.00263 0.01078 -1.07768 D74 3.09601 0.00008 0.01282 -0.00299 0.00964 3.10564 D75 -2.34053 0.00024 0.06219 0.00046 0.06259 -2.27793 D76 1.84358 -0.00007 0.06014 0.00170 0.06178 1.90536 D77 -0.25329 -0.00032 0.06063 0.00197 0.06254 -0.19075 D78 0.98367 0.00052 0.04572 0.00450 0.05029 1.03396 D79 -1.11541 0.00021 0.04367 0.00575 0.04947 -1.06594 D80 3.07091 -0.00004 0.04416 0.00602 0.05024 3.12114 D81 2.78353 0.00005 -0.05991 -0.00908 -0.06899 2.71454 D82 0.69751 0.00010 -0.06015 -0.00901 -0.06917 0.62835 D83 -1.40245 0.00008 -0.06095 -0.00949 -0.07045 -1.47290 D84 -0.53972 -0.00012 -0.04395 -0.01293 -0.05687 -0.59658 D85 -2.62573 -0.00007 -0.04419 -0.01286 -0.05704 -2.68278 D86 1.55748 -0.00009 -0.04499 -0.01334 -0.05832 1.49916 Item Value Threshold Converged? Maximum Force 0.001312 0.000450 NO RMS Force 0.000293 0.000300 YES Maximum Displacement 0.173869 0.001800 NO RMS Displacement 0.035210 0.001200 NO Predicted change in Energy=-8.439941D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.963035 -4.929521 2.064062 2 6 0 7.176750 -5.226540 3.540552 3 8 0 6.850036 -6.096744 1.298582 4 7 0 2.989315 -0.808696 0.076172 5 6 0 4.221731 -1.390668 0.286633 6 6 0 4.464373 -2.592646 0.955893 7 7 0 3.649884 -3.538455 1.559406 8 6 0 4.455930 -4.426159 2.035626 9 7 0 5.785291 -4.130191 1.812357 10 6 0 5.791605 -2.957373 1.103236 11 7 0 6.837672 -2.287639 0.665982 12 6 0 6.487839 -1.175517 0.048905 13 7 0 5.274713 -0.701645 -0.151008 14 1 0 7.778973 -4.323908 1.695959 15 1 0 8.110505 -5.767967 3.670396 16 1 0 7.246869 -4.301276 4.101460 17 7 0 4.129637 -5.559604 2.734752 18 1 0 6.367802 -5.824455 3.932087 19 1 0 7.648953 -6.599033 1.380318 20 6 0 2.939554 -5.993251 2.592192 21 1 0 7.293159 -0.575364 -0.335233 22 6 0 1.953871 -1.540113 -0.005799 23 1 0 1.982056 -2.615660 0.058249 24 7 0 0.725839 -1.033469 -0.216418 25 6 0 0.525395 0.400490 -0.237587 26 6 0 -0.445410 -1.865875 -0.080570 27 1 0 -0.358560 0.622704 -0.823333 28 1 0 1.383057 0.877115 -0.683548 29 1 0 0.390044 0.799691 0.764548 30 1 0 -1.138192 -1.674126 -0.892485 31 1 0 -0.962630 -1.682266 0.858617 32 1 0 -0.164621 -2.910173 -0.114800 33 7 0 2.448892 -7.029005 3.278702 34 1 0 2.248811 -5.538717 1.899360 35 6 0 1.164062 -7.602741 2.943450 36 6 0 3.277806 -7.740438 4.230613 37 1 0 0.552477 -7.704222 3.832919 38 1 0 1.277639 -8.584171 2.492230 39 1 0 0.643093 -6.964578 2.242964 40 1 0 2.639315 -8.217995 4.963059 41 1 0 3.934969 -7.046621 4.729858 42 1 0 3.880458 -8.500179 3.741641 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521156 0.000000 3 O 1.400406 2.427020 0.000000 4 N 6.059980 7.003848 6.660548 0.000000 5 C 4.816376 5.833870 5.484448 1.379070 0.000000 6 C 3.596156 4.579830 4.252943 2.476324 1.396974 7 N 3.628596 4.383304 4.105343 3.176149 2.561240 8 C 2.557295 3.210650 3.010951 4.367661 3.511129 9 N 1.445463 2.474833 2.294553 4.675912 3.503932 10 C 2.486927 3.606696 3.318747 3.677567 2.363452 11 N 2.991636 4.124957 3.861297 4.164732 2.791345 12 C 4.287099 5.392308 5.090320 3.517808 2.288679 13 N 5.062796 6.141664 5.804312 2.299155 1.332312 14 H 1.080750 2.140079 2.040534 6.158023 4.821210 15 H 2.144759 1.087153 2.705990 7.983696 6.762630 16 H 2.150870 1.084273 3.352209 6.821131 5.672389 17 N 2.979089 3.169407 3.122767 5.562330 4.835473 18 H 2.155163 1.079444 2.691104 7.172175 6.128085 19 H 1.930093 2.602561 0.947230 7.545928 6.330013 20 C 4.195097 4.409202 4.120195 5.763023 5.305030 21 H 4.982398 6.055469 5.775062 4.329754 3.238072 22 C 6.392506 7.310596 6.814449 1.270368 2.291514 23 H 5.846999 6.777018 6.111759 2.068819 2.562989 24 N 7.699508 8.562179 8.089361 2.293350 3.549917 25 C 8.668899 9.496227 9.196463 2.762513 4.140767 26 C 8.298821 9.083166 8.545516 3.597156 4.705620 27 H 9.631719 10.489902 10.080543 3.750505 5.124915 28 H 8.508968 9.416182 9.080275 2.449326 3.760606 29 H 8.815714 9.491103 9.464539 3.133206 4.439358 30 H 9.217844 10.070239 9.390000 4.327075 5.495402 31 H 8.649505 9.273843 8.984372 4.122283 5.223964 32 H 7.721962 8.521906 7.833090 3.794733 4.659413 33 N 5.124516 5.066565 4.915288 7.017158 6.624672 34 H 4.756275 5.203417 4.673713 5.123032 4.868224 35 C 6.445736 6.492709 6.107693 7.596834 7.416054 36 C 5.116259 4.690164 4.905035 8.086511 7.534291 37 H 7.205766 7.078515 6.976109 8.221898 8.117914 38 H 6.772262 6.868201 6.218015 8.320168 8.079531 39 H 6.641922 6.884271 6.338071 6.935030 6.906689 40 H 6.157337 5.617886 5.971455 8.882673 8.425283 41 H 4.556069 3.903369 4.601471 7.839819 7.198214 42 H 5.006610 4.650021 4.534692 8.566721 7.911933 6 7 8 9 10 6 C 0.000000 7 N 1.386425 0.000000 8 C 2.127831 1.290160 0.000000 9 N 2.200545 2.230269 1.380090 0.000000 10 C 1.384298 2.265550 2.193333 1.370546 0.000000 11 N 2.410317 3.539031 3.481650 2.411779 1.316811 12 C 2.631597 3.989873 4.317684 3.511899 2.184346 13 N 2.336187 3.689591 4.395882 3.983770 2.632226 14 H 3.812025 4.205348 3.341921 2.006449 2.483620 15 H 5.544860 5.415177 4.222421 3.397240 4.457247 16 H 4.533905 4.470149 3.474566 2.721300 3.593497 17 N 3.475518 2.386765 1.371110 2.373863 3.492219 18 H 4.788044 4.271123 3.034312 2.775447 4.068730 19 H 5.135448 5.039024 3.917423 3.123311 4.097341 20 C 4.070215 2.756308 2.250542 3.489607 4.423543 21 H 3.706544 5.063894 5.338489 4.418439 3.161934 22 C 2.887091 3.052818 4.330932 4.969303 4.238724 23 H 2.639734 2.426247 3.648011 4.453684 3.965026 24 N 4.216868 4.240112 5.522285 6.269264 5.577174 25 C 5.089087 5.339186 6.626699 7.238498 6.387959 26 C 5.070347 4.717889 5.920851 6.894341 6.441515 27 H 6.063399 6.249825 7.539495 8.202669 7.372459 28 H 4.921535 5.446706 6.705309 7.119151 6.109925 29 H 5.305160 5.484330 6.742150 7.383112 6.588406 30 H 5.970671 5.693256 6.887795 7.828349 7.324733 31 H 5.503691 5.021139 6.186687 7.241299 6.877894 32 H 4.761806 4.212856 5.317146 6.372114 6.079677 33 N 5.398044 4.072137 3.514007 4.656700 5.699524 34 H 3.805019 2.465688 2.475425 3.807651 4.455170 35 C 6.320085 4.961180 4.663819 5.890138 6.810285 36 C 6.215423 4.993040 4.146130 5.016904 6.243187 37 H 7.050419 5.667133 5.404896 6.651218 7.578403 38 H 6.958016 5.653049 5.253484 6.373312 7.346160 39 H 5.947480 4.609378 4.585225 5.887392 6.622979 40 H 7.143722 5.874027 5.123278 6.044355 7.246331 41 H 5.861823 4.737116 3.794352 4.521180 5.772472 42 H 6.557461 5.425313 4.454132 5.142696 6.429336 11 12 13 14 15 11 N 0.000000 12 C 1.319084 0.000000 13 N 2.371853 1.317647 0.000000 14 H 2.468460 3.780500 4.775290 0.000000 15 H 4.770670 6.069501 6.950717 2.468526 0.000000 16 H 4.003085 5.173944 5.910180 2.463753 1.755809 17 N 4.724301 5.656423 5.765291 3.990449 4.094650 18 H 4.837075 6.058560 6.641513 3.040281 1.763147 19 H 4.444837 5.703979 6.539202 2.300593 2.479548 20 C 5.712894 6.501476 6.401500 5.197106 5.286967 21 H 2.035138 1.075307 2.030765 4.291077 6.608801 22 C 4.986140 4.548933 3.428135 6.676623 8.324260 23 H 4.904482 4.730347 3.814294 6.261346 7.780909 24 N 6.301275 5.769854 4.561430 8.014416 9.594587 25 C 6.920066 6.173866 4.876292 8.869776 10.528822 26 C 7.333383 6.968738 5.837825 8.765754 10.124216 27 H 7.904043 7.132151 5.825778 9.850647 11.522124 28 H 6.449009 5.550548 4.233328 8.580234 10.410211 29 H 7.149351 6.449550 5.191555 9.039638 10.544364 30 H 8.149823 7.700076 6.528465 9.655942 11.095847 31 H 7.826129 7.511453 6.394170 9.170335 10.340254 32 H 7.073138 6.876850 5.870713 8.269110 9.537946 33 N 6.969092 7.810763 7.731990 6.183234 5.813562 34 H 5.757462 6.358542 6.062784 5.665670 6.127690 35 C 8.101050 8.833471 8.608034 7.487591 7.221352 36 C 7.423763 8.419572 8.528238 6.193355 5.249712 37 H 8.881021 9.600587 9.338483 8.259258 7.803799 38 H 8.596248 9.381055 9.224833 7.813529 7.483793 39 H 7.920445 8.514000 8.149070 7.628442 7.696213 40 H 8.441575 9.410449 9.465438 7.228688 6.132498 41 H 6.898455 7.930847 8.116433 5.603041 4.493609 42 H 7.536607 8.607289 8.826879 6.068317 5.036205 16 17 18 19 20 16 H 0.000000 17 N 3.628831 0.000000 18 H 1.766783 2.552085 0.000000 19 H 3.584127 3.911584 2.958520 0.000000 20 C 4.867610 1.274626 3.684657 4.900413 0.000000 21 H 5.793860 6.653971 6.827830 6.273300 7.541697 22 C 7.246338 5.329248 7.303788 7.742606 5.248958 23 H 6.848877 4.521348 6.673662 7.051869 4.329641 24 N 8.476229 6.386012 8.485010 9.025219 6.114594 25 C 9.279663 7.572852 9.501044 10.117115 7.397008 26 C 9.087998 6.519259 8.842603 9.489768 5.969662 27 H 10.312212 8.427623 10.460585 11.005900 8.143354 28 H 9.170404 7.788442 9.542683 9.970646 7.768852 29 H 9.174470 7.635896 9.468168 10.383258 7.482269 30 H 10.106961 7.483570 9.840817 10.326387 6.886641 31 H 9.207123 6.669695 8.963213 9.930062 6.067694 32 H 8.639572 5.794833 8.218448 8.768980 5.144811 33 N 5.580145 2.297809 4.151591 5.552420 1.335976 34 H 5.600097 2.058112 4.602142 5.527676 1.078769 35 C 7.017207 3.607298 5.587362 6.745711 2.422027 36 C 5.253378 2.778354 3.648039 5.341715 2.418988 37 H 7.514455 4.312937 6.112394 7.589246 3.188254 38 H 7.520939 4.164219 5.966488 6.765410 3.079745 39 H 7.359147 3.791016 6.076620 7.068229 2.517771 40 H 6.108403 3.775374 4.549016 6.368166 3.265064 41 H 4.347469 2.495909 2.837041 5.021298 2.582645 42 H 5.393791 3.118156 3.658230 4.836502 2.913971 21 22 23 24 25 21 H 0.000000 22 C 5.435739 0.000000 23 H 5.703109 1.077821 0.000000 24 N 6.584350 1.345032 2.038836 0.000000 25 C 6.838454 2.420787 3.362520 1.448055 0.000000 26 C 7.849568 2.422450 2.544413 1.443323 2.470531 27 H 7.760310 3.270088 4.091781 2.070550 1.083445 28 H 6.095926 2.574522 3.620571 2.073758 1.077793 29 H 7.124134 2.917820 3.833795 2.106069 1.087178 30 H 8.520885 3.219476 3.395044 2.083776 2.738693 31 H 8.414783 3.045226 3.191080 2.104179 2.784556 32 H 7.817827 2.525264 2.173685 2.079728 3.384034 33 N 8.841772 6.415678 5.483327 7.150611 8.441654 34 H 7.421167 4.439082 3.464839 5.205115 6.543002 35 C 9.884312 6.788028 5.819319 7.302886 8.635890 36 C 9.397250 7.625222 6.734311 8.442278 9.685829 37 H 10.659779 7.395667 6.495020 7.805519 9.069515 38 H 10.407787 7.504412 6.484104 8.040794 9.420292 39 H 9.575622 6.016635 5.047662 6.421329 7.772465 40 H 10.399037 8.351855 7.474979 9.061224 10.285604 41 H 8.877486 7.528135 6.728389 8.421529 9.579152 42 H 9.543067 8.136188 7.197144 9.020511 10.310801 26 27 28 29 30 26 C 0.000000 27 H 2.598512 0.000000 28 H 3.351249 1.765643 0.000000 29 H 2.918467 1.764398 1.757570 0.000000 30 H 1.084399 2.426527 3.592935 3.346795 0.000000 31 H 1.087797 2.916632 3.798809 2.828195 1.759900 32 H 1.081930 3.608442 4.130658 3.852792 1.755120 33 N 6.805851 9.124535 8.907421 8.476338 7.677285 34 H 4.966761 7.223195 6.970210 6.702106 5.848184 35 C 6.681821 9.174147 9.225563 8.714791 7.427197 36 C 8.182855 10.426297 10.099567 9.658498 9.085555 37 H 7.099117 9.583755 9.732814 9.042003 7.845372 38 H 7.397547 9.921525 9.980612 9.582776 8.064817 39 H 5.707927 8.244534 8.402629 7.907821 6.402570 40 H 8.677739 10.983057 10.778839 10.198303 9.559246 41 H 8.316734 10.396676 9.929894 9.479177 9.285010 42 H 8.794113 11.046957 10.665502 10.369844 9.656965 31 32 33 34 35 31 H 0.000000 32 H 1.758442 0.000000 33 N 6.788440 5.942313 0.000000 34 H 5.125302 4.097650 2.040485 0.000000 35 C 6.627321 5.756604 1.446497 2.554800 0.000000 36 C 8.127306 7.352848 1.448920 3.367662 2.478641 37 H 6.885200 6.251529 2.087933 3.362382 1.084200 38 H 7.437997 6.408664 2.099742 3.251072 1.086142 39 H 5.691888 4.759165 2.082742 2.174736 1.081361 40 H 8.516819 7.862550 2.070511 4.088677 2.575603 41 H 8.230996 7.575457 2.077158 3.623344 3.343418 42 H 8.845975 7.904617 2.104293 3.850523 2.970069 36 37 38 39 40 36 C 0.000000 37 H 2.754430 0.000000 38 H 2.781102 1.760004 0.000000 39 H 3.390342 1.755916 1.757232 0.000000 40 H 1.082685 2.428183 2.844862 3.599288 0.000000 41 H 1.078189 3.560644 3.799006 4.126478 1.762163 42 H 1.086044 3.423060 2.888382 3.883894 1.764065 41 42 41 H 0.000000 42 H 1.758515 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.482985 -2.275305 0.140398 2 6 0 3.464039 -2.134592 -1.013573 3 8 0 3.040531 -1.879605 1.362569 4 7 0 -3.264309 -0.379835 -0.174500 5 6 0 -2.225157 -1.277586 -0.047848 6 6 0 -0.862260 -0.971263 -0.062443 7 7 0 -0.143233 0.209063 -0.172016 8 6 0 1.096986 -0.145608 -0.147966 9 7 0 1.270975 -1.511243 -0.050921 10 6 0 0.009845 -2.043132 0.020077 11 7 0 -0.322740 -3.313282 0.120559 12 6 0 -1.631122 -3.480792 0.128384 13 7 0 -2.570826 -2.560987 0.044074 14 1 0 2.144295 -3.299685 0.203296 15 1 0 4.319308 -2.783965 -0.844068 16 1 0 2.994091 -2.437563 -1.942554 17 7 0 2.198468 0.665872 -0.238414 18 1 0 3.809663 -1.115680 -1.100538 19 1 0 3.790731 -2.426047 1.551899 20 6 0 2.026155 1.893991 0.056039 21 1 0 -1.976651 -4.495981 0.207666 22 6 0 -3.109474 0.820405 0.211875 23 1 0 -2.201411 1.184377 0.664250 24 7 0 -4.086171 1.740692 0.121069 25 6 0 -5.330985 1.415751 -0.543546 26 6 0 -3.804962 3.136191 0.359153 27 1 0 -6.112662 2.060028 -0.159172 28 1 0 -5.584152 0.386170 -0.349883 29 1 0 -5.258454 1.557647 -1.618982 30 1 0 -4.589225 3.579260 0.962927 31 1 0 -3.733660 3.696447 -0.570541 32 1 0 -2.868575 3.240683 0.890974 33 7 0 2.979728 2.820554 -0.074394 34 1 0 1.083584 2.261153 0.430865 35 6 0 2.798042 4.155127 0.453109 36 6 0 4.298647 2.457573 -0.551955 37 1 0 3.041014 4.895248 -0.300996 38 1 0 3.433128 4.325840 1.317532 39 1 0 1.769225 4.299670 0.753081 40 1 0 4.764905 3.330559 -0.990937 41 1 0 4.214481 1.685267 -1.299586 42 1 0 4.926449 2.093026 0.255795 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3219491 0.1985095 0.1274794 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1829.9467433727 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.87D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000120 -0.000212 0.000524 Ang= -0.07 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37951036 A.U. after 11 cycles NFock= 11 Conv=0.93D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000716160 0.000093410 0.000147423 2 6 0.000268885 -0.000319337 0.000136601 3 8 0.000066794 0.000335205 0.000163937 4 7 -0.000064678 0.000007061 0.000325995 5 6 0.000156904 0.000568588 -0.000015723 6 6 0.000357967 -0.000381485 0.000169122 7 7 -0.000669586 0.000175748 -0.000049393 8 6 0.001334250 0.000231376 -0.000061281 9 7 -0.000687387 -0.000780217 -0.000076979 10 6 -0.000459721 0.000861637 -0.000542292 11 7 0.000218801 -0.001051492 0.000524965 12 6 -0.000371671 0.001437064 -0.000530021 13 7 0.000090970 -0.000598813 -0.000030091 14 1 0.000223620 -0.000081335 0.000055495 15 1 0.000090356 0.000085722 -0.000095410 16 1 -0.000000006 -0.000046091 0.000034390 17 7 -0.000528690 -0.000527765 0.000339892 18 1 0.000106053 0.000125289 -0.000046225 19 1 0.000216092 -0.000204836 -0.000008269 20 6 0.000709167 0.000362496 -0.000773650 21 1 0.000074701 -0.000067614 -0.000066818 22 6 0.000337918 -0.000363148 -0.000428807 23 1 0.000016958 0.000043581 0.000009581 24 7 0.000067114 -0.000085738 0.000332259 25 6 -0.000163649 0.000110461 -0.000190664 26 6 -0.000047254 0.000076859 0.000169147 27 1 -0.000018185 0.000061236 -0.000056105 28 1 0.000066890 -0.000031310 0.000060804 29 1 -0.000128130 -0.000141059 0.000003494 30 1 -0.000024758 0.000035542 -0.000050090 31 1 0.000026523 0.000042559 0.000038610 32 1 0.000036583 0.000034353 -0.000079388 33 7 -0.001187106 0.000833381 0.000563359 34 1 -0.000048072 0.000100943 0.000089019 35 6 0.000758542 -0.000635902 0.000025259 36 6 -0.000138223 -0.000388792 -0.000203862 37 1 0.000033287 0.000070254 0.000109094 38 1 -0.000055626 -0.000203276 -0.000119850 39 1 0.000170245 0.000150185 0.000110345 40 1 -0.000046434 -0.000043821 0.000068619 41 1 -0.000019932 0.000065650 0.000002517 42 1 -0.000053352 0.000043429 -0.000055007 ------------------------------------------------------------------- Cartesian Forces: Max 0.001437064 RMS 0.000369841 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001164821 RMS 0.000236573 Search for a local minimum. Step number 18 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 DE= -1.19D-04 DEPred=-8.44D-05 R= 1.41D+00 TightC=F SS= 1.41D+00 RLast= 3.26D-01 DXNew= 2.8153D+00 9.7878D-01 Trust test= 1.41D+00 RLast= 3.26D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00077 0.00244 0.00274 0.00481 0.00819 Eigenvalues --- 0.01194 0.01208 0.01248 0.01477 0.01522 Eigenvalues --- 0.01597 0.02054 0.02109 0.02144 0.02234 Eigenvalues --- 0.02319 0.02543 0.02571 0.02602 0.02637 Eigenvalues --- 0.02761 0.02813 0.03132 0.03270 0.03481 Eigenvalues --- 0.04019 0.05417 0.05504 0.05691 0.05989 Eigenvalues --- 0.06660 0.07397 0.07510 0.07573 0.07604 Eigenvalues --- 0.07644 0.07803 0.07824 0.07962 0.08395 Eigenvalues --- 0.15547 0.15840 0.15907 0.15970 0.15988 Eigenvalues --- 0.15998 0.16000 0.16000 0.16001 0.16001 Eigenvalues --- 0.16003 0.16010 0.16041 0.16054 0.16075 Eigenvalues --- 0.16117 0.16262 0.16904 0.17610 0.18369 Eigenvalues --- 0.20881 0.22143 0.22345 0.22796 0.23609 Eigenvalues --- 0.23848 0.24226 0.24449 0.24628 0.24915 Eigenvalues --- 0.24976 0.25264 0.25863 0.26401 0.27419 Eigenvalues --- 0.27876 0.32694 0.32809 0.32923 0.33211 Eigenvalues --- 0.33342 0.33407 0.33538 0.33569 0.33607 Eigenvalues --- 0.33613 0.33669 0.33688 0.33714 0.33764 Eigenvalues --- 0.33786 0.33867 0.34683 0.36011 0.37448 Eigenvalues --- 0.37836 0.39093 0.39777 0.39831 0.40033 Eigenvalues --- 0.40347 0.40573 0.40869 0.41907 0.43083 Eigenvalues --- 0.45587 0.47404 0.48914 0.50043 0.52433 Eigenvalues --- 0.53221 0.54256 0.59464 0.60289 0.65742 Eigenvalues --- 0.70568 0.72013 0.74291 0.76059 0.87775 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 18 17 16 15 14 13 12 11 10 9 RFO step: Lambda=-7.08498940D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.58226 -0.45238 -0.95236 0.39921 0.63477 RFO-DIIS coefs: -0.18185 -0.25393 0.24602 -0.01315 -0.00859 Iteration 1 RMS(Cart)= 0.02258248 RMS(Int)= 0.00025980 Iteration 2 RMS(Cart)= 0.00034146 RMS(Int)= 0.00005237 Iteration 3 RMS(Cart)= 0.00000010 RMS(Int)= 0.00005237 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87457 0.00012 0.00040 -0.00007 0.00034 2.87491 R2 2.64638 -0.00022 0.00047 -0.00067 -0.00020 2.64618 R3 2.73153 0.00028 -0.00056 0.00076 0.00020 2.73173 R4 2.04232 0.00010 0.00056 -0.00051 0.00005 2.04237 R5 2.05442 0.00002 0.00003 0.00021 0.00024 2.05466 R6 2.04898 -0.00002 0.00019 -0.00019 0.00000 2.04898 R7 2.03985 -0.00017 0.00015 -0.00037 -0.00023 2.03963 R8 1.79000 0.00029 -0.00024 0.00075 0.00051 1.79051 R9 2.60606 -0.00020 0.00117 -0.00123 -0.00006 2.60600 R10 2.40065 -0.00000 -0.00088 -0.00019 -0.00107 2.39958 R11 2.63990 0.00003 0.00066 -0.00094 -0.00028 2.63961 R12 2.51770 -0.00015 -0.00193 0.00027 -0.00166 2.51605 R13 2.61996 -0.00005 -0.00038 0.00000 -0.00037 2.61959 R14 2.61594 -0.00050 -0.00087 -0.00049 -0.00136 2.61459 R15 2.43805 0.00038 -0.00002 0.00047 0.00046 2.43851 R16 2.60799 -0.00036 -0.00019 -0.00081 -0.00100 2.60699 R17 2.59102 0.00032 -0.00016 0.00110 0.00093 2.59196 R18 2.58996 0.00081 -0.00017 0.00132 0.00115 2.59110 R19 2.48841 0.00004 0.00036 0.00002 0.00038 2.48879 R20 2.49271 0.00116 -0.00100 0.00147 0.00047 2.49318 R21 2.48999 -0.00026 0.00060 -0.00009 0.00051 2.49050 R22 2.03204 0.00004 -0.00017 0.00018 0.00001 2.03205 R23 2.40869 -0.00021 -0.00045 0.00016 -0.00029 2.40840 R24 2.52463 0.00054 0.00027 0.00079 0.00106 2.52569 R25 2.03858 0.00002 -0.00003 -0.00021 -0.00025 2.03833 R26 2.03679 -0.00004 -0.00003 0.00003 -0.00001 2.03678 R27 2.54174 0.00017 0.00128 0.00040 0.00168 2.54342 R28 2.73643 0.00004 -0.00052 0.00040 -0.00012 2.73630 R29 2.72748 -0.00009 0.00001 0.00003 0.00004 2.72753 R30 2.04742 0.00006 0.00036 0.00005 0.00040 2.04782 R31 2.03673 0.00001 -0.00022 0.00002 -0.00020 2.03653 R32 2.05447 -0.00003 0.00069 -0.00035 0.00034 2.05481 R33 2.04922 0.00006 0.00039 -0.00017 0.00022 2.04944 R34 2.05564 0.00003 0.00011 0.00007 0.00018 2.05582 R35 2.04455 -0.00002 0.00027 -0.00017 0.00010 2.04466 R36 2.73348 -0.00059 -0.00094 -0.00034 -0.00128 2.73220 R37 2.73806 -0.00011 -0.00019 0.00008 -0.00012 2.73794 R38 2.04884 0.00006 0.00039 -0.00012 0.00027 2.04911 R39 2.05251 0.00023 0.00059 0.00006 0.00065 2.05316 R40 2.04348 -0.00006 -0.00017 0.00007 -0.00010 2.04337 R41 2.04598 0.00009 0.00035 0.00010 0.00045 2.04643 R42 2.03748 0.00003 -0.00000 -0.00003 -0.00003 2.03745 R43 2.05233 -0.00004 0.00024 -0.00021 0.00003 2.05236 A1 1.95968 -0.00027 -0.00010 -0.00087 -0.00097 1.95870 A2 1.97303 0.00069 -0.00011 0.00313 0.00302 1.97605 A3 1.91128 -0.00026 -0.00042 -0.00162 -0.00205 1.90923 A4 1.87547 -0.00009 -0.00092 0.00199 0.00107 1.87655 A5 1.91963 0.00007 0.00201 -0.00342 -0.00141 1.91821 A6 1.81930 -0.00013 -0.00040 0.00078 0.00039 1.81969 A7 1.91117 -0.00018 -0.00143 0.00054 -0.00088 1.91029 A8 1.92259 0.00009 0.00079 -0.00031 0.00049 1.92308 A9 1.93364 0.00004 0.00081 -0.00059 0.00023 1.93387 A10 1.88353 0.00000 -0.00015 -0.00012 -0.00027 1.88326 A11 1.90127 0.00010 0.00035 0.00043 0.00079 1.90205 A12 1.91081 -0.00005 -0.00042 0.00006 -0.00036 1.91045 A13 1.90366 0.00012 0.00049 0.00084 0.00133 1.90499 A14 2.08895 -0.00074 0.00008 -0.00260 -0.00252 2.08643 A15 2.20363 -0.00067 -0.00266 -0.00136 -0.00402 2.19961 A16 2.02408 0.00048 0.00225 0.00066 0.00291 2.02699 A17 2.05451 0.00020 0.00030 0.00085 0.00115 2.05566 A18 2.33710 -0.00023 -0.00026 -0.00002 -0.00028 2.33681 A19 2.03110 0.00006 -0.00013 -0.00030 -0.00043 2.03067 A20 1.91472 0.00017 0.00038 0.00031 0.00068 1.91540 A21 1.83696 -0.00006 -0.00058 0.00022 -0.00036 1.83660 A22 1.97635 0.00006 0.00049 -0.00041 0.00008 1.97642 A23 2.22474 -0.00090 -0.00124 -0.00059 -0.00183 2.22291 A24 2.08174 0.00084 0.00075 0.00104 0.00178 2.08353 A25 2.26279 0.00047 0.00034 0.00020 0.00057 2.26336 A26 2.16465 -0.00031 0.00032 -0.00042 -0.00008 2.16457 A27 1.84591 -0.00015 -0.00055 0.00051 -0.00004 1.84588 A28 1.85055 -0.00001 0.00025 -0.00060 -0.00036 1.85019 A29 2.20471 0.00005 -0.00013 0.00001 -0.00011 2.20459 A30 2.22773 -0.00004 -0.00013 0.00060 0.00047 2.22820 A31 1.95353 -0.00002 -0.00010 0.00069 0.00058 1.95412 A32 2.23744 -0.00032 0.00025 -0.00136 -0.00111 2.23634 A33 2.02534 0.00009 0.00008 0.00015 0.00023 2.02557 A34 2.02038 0.00023 -0.00034 0.00122 0.00089 2.02127 A35 2.08498 0.00004 -0.00019 0.00012 -0.00007 2.08490 A36 2.03354 -0.00092 -0.00174 0.00061 -0.00113 2.03241 A37 2.15220 0.00004 -0.00031 0.00112 0.00082 2.15301 A38 2.12506 -0.00003 0.00008 -0.00037 -0.00029 2.12478 A39 2.00592 -0.00001 0.00021 -0.00075 -0.00053 2.00539 A40 2.15243 -0.00006 -0.00063 -0.00048 -0.00112 2.15131 A41 2.13815 0.00009 0.00134 0.00094 0.00228 2.14043 A42 1.99222 -0.00002 -0.00076 -0.00030 -0.00106 1.99116 A43 2.09634 0.00027 -0.00025 0.00189 0.00186 2.09820 A44 2.10473 0.00007 -0.00160 0.00008 -0.00135 2.10338 A45 2.04897 -0.00034 -0.00332 -0.00051 -0.00363 2.04534 A46 1.90069 0.00011 0.00029 0.00075 0.00104 1.90173 A47 1.91114 -0.00004 -0.00097 0.00075 -0.00022 1.91093 A48 1.94698 -0.00019 0.00009 -0.00171 -0.00161 1.94537 A49 1.91223 0.00002 0.00003 0.00014 0.00018 1.91241 A50 1.89807 -0.00000 -0.00039 -0.00031 -0.00071 1.89736 A51 1.89452 0.00010 0.00094 0.00039 0.00133 1.89585 A52 1.92408 -0.00003 0.00027 -0.00070 -0.00043 1.92365 A53 1.94955 -0.00005 -0.00125 0.00104 -0.00020 1.94935 A54 1.92100 -0.00006 0.00118 -0.00118 0.00001 1.92100 A55 1.88896 0.00004 -0.00019 0.00034 0.00015 1.88911 A56 1.88892 0.00002 0.00011 -0.00014 -0.00003 1.88890 A57 1.88981 0.00008 -0.00012 0.00065 0.00053 1.89034 A58 2.11137 0.00057 0.00135 -0.00015 0.00156 2.11293 A59 2.10384 0.00017 0.00070 0.00007 0.00109 2.10493 A60 2.05518 -0.00077 -0.00362 -0.00144 -0.00471 2.05047 A61 1.92626 -0.00015 -0.00140 0.00069 -0.00070 1.92556 A62 1.94100 0.00024 0.00180 -0.00032 0.00147 1.94247 A63 1.92196 -0.00035 -0.00161 -0.00015 -0.00175 1.92020 A64 1.89149 0.00004 0.00043 0.00013 0.00055 1.89205 A65 1.89116 0.00012 0.00016 -0.00027 -0.00009 1.89106 A66 1.89075 0.00010 0.00062 -0.00008 0.00054 1.89129 A67 1.90038 0.00005 0.00018 0.00030 0.00048 1.90086 A68 1.91446 -0.00007 -0.00021 -0.00008 -0.00029 1.91416 A69 1.94459 -0.00011 -0.00004 -0.00064 -0.00068 1.94391 A70 1.90713 0.00001 0.00010 0.00002 0.00012 1.90725 A71 1.89998 0.00004 -0.00056 0.00031 -0.00025 1.89972 A72 1.89697 0.00008 0.00053 0.00011 0.00063 1.89760 D1 1.08523 -0.00011 0.00655 -0.00498 0.00158 1.08681 D2 -3.12915 -0.00017 0.00598 -0.00498 0.00100 -3.12815 D3 -1.01225 -0.00015 0.00652 -0.00550 0.00103 -1.01122 D4 -3.07253 0.00008 0.00519 -0.00067 0.00452 -3.06802 D5 -1.00373 0.00003 0.00462 -0.00067 0.00394 -0.99979 D6 1.11317 0.00005 0.00516 -0.00119 0.00397 1.11714 D7 -1.05249 0.00017 0.00436 0.00113 0.00549 -1.04700 D8 1.01631 0.00011 0.00379 0.00113 0.00492 1.02123 D9 3.13321 0.00014 0.00433 0.00061 0.00494 3.13815 D10 -1.05719 0.00037 0.00272 0.00377 0.00649 -1.05070 D11 3.04585 -0.00026 0.00358 -0.00106 0.00252 3.04837 D12 1.07580 -0.00009 0.00353 -0.00133 0.00220 1.07801 D13 -1.11267 -0.00002 0.00545 0.00034 0.00578 -1.10688 D14 2.20127 -0.00005 0.00409 -0.00227 0.00181 2.20308 D15 1.05943 0.00003 0.00458 0.00280 0.00737 1.06680 D16 -1.90983 0.00001 0.00321 0.00018 0.00340 -1.90643 D17 3.09637 0.00000 0.00627 0.00016 0.00642 3.10280 D18 0.12712 -0.00002 0.00490 -0.00245 0.00245 0.12958 D19 -0.49681 -0.00013 -0.02180 -0.00452 -0.02632 -0.52313 D20 2.69338 -0.00026 -0.01914 -0.00825 -0.02739 2.66598 D21 -0.02560 -0.00006 0.00000 -0.00053 -0.00053 -0.02613 D22 -3.13584 -0.00018 0.00203 -0.00708 -0.00506 -3.14090 D23 0.02206 -0.00008 0.00140 -0.00245 -0.00102 0.02103 D24 -3.09151 -0.00008 0.00219 -0.00191 0.00031 -3.09120 D25 3.11430 0.00006 -0.00124 0.00134 0.00011 3.11441 D26 0.00073 0.00006 -0.00044 0.00187 0.00144 0.00217 D27 3.10743 0.00000 -0.00193 0.00115 -0.00072 3.10671 D28 0.01010 -0.00009 0.00066 -0.00219 -0.00154 0.00856 D29 -3.12080 0.00003 0.00015 0.00084 0.00099 -3.11981 D30 -0.00588 0.00003 -0.00061 0.00033 -0.00029 -0.00617 D31 3.11169 -0.00003 -0.00067 0.00001 -0.00065 3.11103 D32 -0.00969 -0.00001 -0.00005 -0.00055 -0.00059 -0.01028 D33 -0.00846 -0.00002 -0.00005 0.00042 0.00038 -0.00808 D34 -3.12984 -0.00000 0.00057 -0.00014 0.00044 -3.12940 D35 0.01854 -0.00002 0.00107 -0.00098 0.00010 0.01863 D36 3.13114 0.00008 0.00059 0.00066 0.00124 3.13238 D37 -3.01751 0.00001 -0.00234 -0.00092 -0.00326 -3.02077 D38 -0.02414 0.00001 -0.00112 0.00125 0.00014 -0.02400 D39 0.15046 -0.00005 -0.00186 -0.00238 -0.00424 0.14622 D40 -3.13936 -0.00005 -0.00064 -0.00020 -0.00084 -3.14020 D41 0.37029 0.00007 0.01291 0.00028 0.01319 0.38348 D42 -2.80184 0.00015 0.01239 0.00198 0.01437 -2.78747 D43 3.02249 0.00009 0.00178 0.00114 0.00292 3.02541 D44 -0.13967 0.00008 0.00115 0.00170 0.00284 -0.13683 D45 0.01853 0.00001 0.00064 -0.00094 -0.00030 0.01822 D46 3.13956 -0.00000 0.00001 -0.00038 -0.00038 3.13918 D47 0.00646 -0.00001 0.00026 -0.00046 -0.00019 0.00626 D48 -3.11060 0.00001 0.00101 -0.00112 -0.00010 -3.11070 D49 0.00623 -0.00002 -0.00002 0.00014 0.00012 0.00635 D50 3.14088 0.00011 -0.00047 0.00233 0.00187 -3.14044 D51 -0.01484 0.00008 -0.00045 0.00124 0.00080 -0.01405 D52 3.13368 -0.00005 -0.00002 -0.00094 -0.00095 3.13273 D53 -3.05731 0.00006 0.00270 0.00054 0.00324 -3.05407 D54 0.08108 0.00003 0.00083 0.00096 0.00179 0.08287 D55 -2.98309 0.00027 0.00399 0.00765 0.01167 -2.97143 D56 -0.01653 -0.00005 0.00054 -0.00279 -0.00229 -0.01882 D57 0.16151 0.00031 0.00574 0.00726 0.01303 0.17453 D58 3.12807 -0.00001 0.00229 -0.00318 -0.00093 3.12714 D59 -0.09847 0.00005 -0.00611 0.00490 -0.00123 -0.09970 D60 -2.95927 0.00009 0.01305 -0.00106 0.01199 -2.94728 D61 3.07182 -0.00006 -0.00427 -0.00110 -0.00537 3.06645 D62 0.21103 -0.00002 0.01489 -0.00706 0.00785 0.21888 D63 2.71276 -0.00006 -0.02203 -0.00555 -0.02761 2.68515 D64 0.62216 -0.00012 -0.02167 -0.00662 -0.02833 0.59383 D65 -1.47536 -0.00011 -0.02227 -0.00651 -0.02882 -1.50418 D66 -0.70086 -0.00004 -0.04042 0.00030 -0.04008 -0.74094 D67 -2.79147 -0.00010 -0.04005 -0.00077 -0.04079 -2.83226 D68 1.39420 -0.00009 -0.04065 -0.00066 -0.04128 1.35292 D69 -2.39180 0.00001 -0.00655 -0.00045 -0.00704 -2.39884 D70 1.79051 0.00001 -0.00565 -0.00110 -0.00680 1.78371 D71 -0.30936 -0.00002 -0.00549 -0.00180 -0.00734 -0.31670 D72 1.02320 -0.00004 0.01152 -0.00663 0.00494 1.02814 D73 -1.07768 -0.00004 0.01241 -0.00728 0.00518 -1.07250 D74 3.10564 -0.00007 0.01257 -0.00798 0.00464 3.11028 D75 -2.27793 -0.00004 0.01234 -0.00784 0.00456 -2.27337 D76 1.90536 -0.00016 0.01156 -0.00825 0.00337 1.90873 D77 -0.19075 -0.00021 0.01068 -0.00784 0.00290 -0.18785 D78 1.03396 0.00018 0.01544 0.00217 0.01755 1.05151 D79 -1.06594 0.00007 0.01466 0.00176 0.01636 -1.04958 D80 3.12114 0.00002 0.01378 0.00217 0.01589 3.13703 D81 2.71454 0.00010 -0.01346 0.00374 -0.00966 2.70488 D82 0.62835 0.00009 -0.01357 0.00359 -0.00992 0.61843 D83 -1.47290 0.00011 -0.01406 0.00392 -0.01008 -1.48299 D84 -0.59658 -0.00008 -0.01623 -0.00625 -0.02254 -0.61912 D85 -2.68278 -0.00009 -0.01634 -0.00640 -0.02280 -2.70557 D86 1.49916 -0.00008 -0.01683 -0.00607 -0.02296 1.47620 Item Value Threshold Converged? Maximum Force 0.001165 0.000450 NO RMS Force 0.000237 0.000300 YES Maximum Displacement 0.140766 0.001800 NO RMS Displacement 0.022576 0.001200 NO Predicted change in Energy=-3.399713D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.962295 -4.930500 2.060952 2 6 0 7.181006 -5.228776 3.536641 3 8 0 6.848265 -6.097755 1.295868 4 7 0 2.993329 -0.804485 0.082036 5 6 0 4.226731 -1.386912 0.285117 6 6 0 4.467572 -2.588421 0.955556 7 7 0 3.651948 -3.528809 1.565521 8 6 0 4.456867 -4.418679 2.040257 9 7 0 5.785822 -4.128938 1.809784 10 6 0 5.793473 -2.957454 1.097307 11 7 0 6.839917 -2.292437 0.653199 12 6 0 6.491682 -1.180352 0.034622 13 7 0 5.278760 -0.703144 -0.160317 14 1 0 7.779397 -4.326987 1.691902 15 1 0 8.116769 -5.767988 3.662236 16 1 0 7.250994 -4.304276 4.098828 17 7 0 4.126785 -5.549351 2.743055 18 1 0 6.374635 -5.828710 3.930066 19 1 0 7.645555 -6.602912 1.378917 20 6 0 2.938346 -5.984436 2.592743 21 1 0 7.297397 -0.585182 -0.356395 22 6 0 1.962970 -1.539564 -0.020038 23 1 0 1.998406 -2.616031 0.020615 24 7 0 0.730117 -1.037725 -0.219376 25 6 0 0.514757 0.394070 -0.203392 26 6 0 -0.434058 -1.881237 -0.091200 27 1 0 -0.354383 0.626174 -0.807579 28 1 0 1.379961 0.892331 -0.609057 29 1 0 0.345225 0.759629 0.806545 30 1 0 -1.134340 -1.678031 -0.894001 31 1 0 -0.945215 -1.719878 0.855474 32 1 0 -0.146109 -2.922610 -0.148817 33 7 0 2.440321 -7.015189 3.282561 34 1 0 2.253937 -5.534649 1.890791 35 6 0 1.166132 -7.601563 2.931843 36 6 0 3.259113 -7.722227 4.246337 37 1 0 0.538042 -7.691417 3.811177 38 1 0 1.292505 -8.589664 2.498097 39 1 0 0.656445 -6.976152 2.211909 40 1 0 2.613802 -8.185716 4.982186 41 1 0 3.920284 -7.027972 4.739609 42 1 0 3.856543 -8.493074 3.768423 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521335 0.000000 3 O 1.400300 2.426294 0.000000 4 N 6.057458 7.003235 6.659777 0.000000 5 C 4.816006 5.836101 5.485080 1.379037 0.000000 6 C 3.595952 4.582161 4.254284 2.473633 1.396824 7 N 3.628854 4.385140 4.109578 3.171191 2.560768 8 C 2.557256 3.211909 3.015327 4.363367 3.510711 9 N 1.445571 2.477543 2.295459 4.672807 3.503439 10 C 2.487502 3.610333 3.318660 3.675168 2.362400 11 N 2.992677 4.129487 3.859214 4.163708 2.790018 12 C 4.288484 5.397133 5.089081 3.518806 2.288104 13 N 5.063483 6.145518 5.803934 2.300479 1.331434 14 H 1.080778 2.138774 2.039477 6.156796 4.821257 15 H 2.144367 1.087279 2.705097 7.981469 6.762482 16 H 2.151381 1.084275 3.351916 6.819888 5.674643 17 N 2.981335 3.171879 3.130743 5.556932 4.835012 18 H 2.155392 1.079324 2.689928 7.175194 6.134225 19 H 1.931056 2.599967 0.947498 7.546315 6.331778 20 C 4.193536 4.411590 4.120945 5.756611 5.303047 21 H 4.983738 6.060713 5.772361 4.331895 3.237792 22 C 6.389227 7.313560 6.809906 1.269804 2.289331 23 H 5.844650 6.785884 6.104900 2.067691 2.558540 24 N 7.693740 8.560756 8.082796 2.295077 3.550036 25 C 8.663085 9.489105 9.192654 2.767909 4.145996 26 C 8.284673 9.075046 8.528494 3.596719 4.702013 27 H 9.624908 10.484978 10.075407 3.747715 5.121826 28 H 8.496868 9.397175 9.077025 2.441260 3.754810 29 H 8.816843 9.489063 9.463227 3.159718 4.466051 30 H 9.212264 10.068931 9.383574 4.330518 5.496922 31 H 8.619163 9.248594 8.949753 4.116829 5.213942 32 H 7.710000 8.519837 7.816004 3.794182 4.654932 33 N 5.127037 5.072467 4.921240 7.008711 6.622193 34 H 4.750009 5.203690 4.666783 5.117886 4.865576 35 C 6.441159 6.494198 6.101187 7.593439 7.415815 36 C 5.126715 4.701299 4.922011 8.078812 7.534173 37 H 7.208119 7.090059 6.977496 8.207604 8.110876 38 H 6.762181 6.859197 6.206564 8.327015 8.086198 39 H 6.631080 6.883178 6.320549 6.934470 6.906452 40 H 6.167612 5.629605 5.989925 8.867812 8.419486 41 H 4.563816 3.913636 4.614946 7.828411 7.194301 42 H 5.025245 4.664914 4.560864 8.570239 7.922626 6 7 8 9 10 6 C 0.000000 7 N 1.386229 0.000000 8 C 2.127565 1.290401 0.000000 9 N 2.200155 2.230076 1.379561 0.000000 10 C 1.383579 2.265348 2.193365 1.371152 0.000000 11 N 2.409781 3.538939 3.481919 2.412787 1.317013 12 C 2.632071 3.990362 4.318542 3.513346 2.185151 13 N 2.336123 3.689095 4.395821 3.984279 2.632197 14 H 3.812217 4.205816 3.342000 2.006853 2.484564 15 H 5.545485 5.417081 4.224493 3.398732 4.458214 16 H 4.535610 4.469018 3.472456 2.723452 3.598253 17 N 3.475398 2.386345 1.371604 2.375073 3.493460 18 H 4.794171 4.277107 3.039309 2.780561 4.075094 19 H 5.137601 5.043196 3.921222 3.124868 4.098643 20 C 4.068394 2.755815 2.250054 3.487695 4.421617 21 H 3.707032 5.064385 5.339311 4.419886 3.162706 22 C 2.885293 3.053480 4.330547 4.966619 4.234575 23 H 2.640390 2.440102 3.656846 4.453598 3.959592 24 N 4.213513 4.234201 5.515927 6.263645 5.572844 25 C 5.085583 5.325411 6.613375 7.231501 6.386655 26 C 5.061797 4.706874 5.907865 6.881338 6.430625 27 H 6.057517 6.240687 7.530526 8.195352 7.366621 28 H 4.908869 5.425606 6.685285 7.104615 6.100132 29 H 5.312757 5.468196 6.726255 7.382728 6.601867 30 H 5.969179 5.690623 6.883503 7.823429 7.320985 31 H 5.482941 4.991022 6.153838 7.212568 6.855654 32 H 4.755773 4.210899 5.312029 6.362323 6.068992 33 N 5.396385 4.070763 3.514490 4.657456 5.699489 34 H 3.801987 2.466501 2.473990 3.802209 4.449704 35 C 6.319557 4.963208 4.664184 5.887247 6.807757 36 C 6.216557 4.992579 4.149076 5.023223 6.248395 37 H 7.045307 5.662746 5.404087 6.651017 7.575952 38 H 6.962428 5.661176 5.255466 6.368810 7.344571 39 H 5.946032 4.612486 4.584031 5.880378 6.616746 40 H 7.140023 5.868401 5.122734 6.048412 7.248263 41 H 5.859026 4.731910 3.792470 4.524212 5.774454 42 H 6.568904 5.434939 4.466278 5.157913 6.444350 11 12 13 14 15 11 N 0.000000 12 C 1.319332 0.000000 13 N 2.371681 1.317918 0.000000 14 H 2.470004 3.782340 4.776624 0.000000 15 H 4.771175 6.070165 6.951177 2.464249 0.000000 16 H 4.011089 5.182009 5.915926 2.464349 1.755743 17 N 4.726105 5.658312 5.765617 3.992577 4.100326 18 H 4.843508 6.065923 6.648580 3.039392 1.763648 19 H 4.444762 5.704621 6.540506 2.301240 2.476426 20 C 5.710949 6.499954 6.399135 5.195616 5.292138 21 H 2.035507 1.075313 2.031564 4.292895 6.609254 22 C 4.980429 4.543265 3.422535 6.673177 8.325141 23 H 4.893373 4.717086 3.801658 6.256231 7.786566 24 N 6.298043 5.768924 4.561314 8.010279 9.591921 25 C 6.925222 6.185393 4.888912 8.868794 10.521627 26 C 7.323519 6.962252 5.833436 8.753399 10.114928 27 H 7.900006 7.130318 5.823945 9.845790 11.516291 28 H 6.445708 5.553380 4.236454 8.572542 10.391746 29 H 7.177718 6.491404 5.235867 9.051211 10.543323 30 H 8.146171 7.698457 6.528136 9.651869 11.093695 31 H 7.808778 7.501488 6.387758 9.144150 10.314294 32 H 7.060092 6.865084 5.861346 8.256764 9.533911 33 N 6.969532 7.810759 7.729946 6.185657 5.824236 34 H 5.751067 6.353247 6.058056 5.659391 6.129051 35 C 8.097584 8.831043 8.606007 7.483019 7.225429 36 C 7.430707 8.425211 8.530247 6.203689 5.268496 37 H 8.878932 9.596987 9.331835 8.261231 7.820413 38 H 8.592583 9.380728 9.227925 7.803853 7.475805 39 H 7.912148 8.507753 8.145176 7.617409 7.695424 40 H 8.445763 9.412304 9.462359 7.238724 6.153887 41 H 6.902774 7.933703 8.115305 5.610399 4.512070 42 H 7.553346 8.623290 8.839724 6.087446 5.058349 16 17 18 19 20 16 H 0.000000 17 N 3.626157 0.000000 18 H 1.766461 2.557316 0.000000 19 H 3.582920 3.918240 2.953471 0.000000 20 C 4.867254 1.274472 3.690632 4.900377 0.000000 21 H 5.803690 6.656000 6.835190 6.272606 7.539939 22 C 7.250647 5.328711 7.311832 7.738627 5.247368 23 H 6.860880 4.532774 6.690029 7.044891 4.341139 24 N 8.475794 6.377156 8.487166 9.019375 6.103626 25 C 9.271485 7.553313 9.494558 10.114827 7.374110 26 C 9.082262 6.503026 8.838067 9.472888 5.950875 27 H 10.306498 8.415757 10.458990 11.001793 8.130462 28 H 9.145378 7.763824 9.524852 9.969372 7.744031 29 H 9.174525 7.606148 9.461309 10.384095 7.442929 30 H 10.106401 7.476278 9.842991 10.320231 6.876721 31 H 9.185657 6.629706 8.939564 9.895420 6.023836 32 H 8.641100 5.789672 8.222092 8.751492 5.138560 33 N 5.581928 2.298676 4.160026 5.557724 1.336536 34 H 5.599984 2.057699 4.607088 5.520212 1.078638 35 C 7.018511 3.607309 5.591776 6.737344 2.422980 36 C 5.257306 2.781026 3.659496 5.358716 2.420161 37 H 7.524572 4.313746 6.127775 7.590617 3.187448 38 H 7.512022 4.163730 5.958309 6.749888 3.083012 39 H 7.361213 3.789609 6.079999 7.048464 2.517064 40 H 6.111420 3.775348 4.561392 6.388064 3.265027 41 H 4.350028 2.493028 2.849109 5.035133 2.581124 42 H 5.401619 3.128884 3.669571 4.862002 2.918659 21 22 23 24 25 21 H 0.000000 22 C 5.429557 0.000000 23 H 5.687336 1.077817 0.000000 24 N 6.584279 1.345921 2.038922 0.000000 25 C 6.854673 2.422783 3.363346 1.447989 0.000000 26 C 7.843818 2.422302 2.543483 1.443345 2.467764 27 H 7.760198 3.268143 4.090649 2.071396 1.083660 28 H 6.104337 2.569233 3.617674 2.073467 1.077685 29 H 7.175907 2.930294 3.840022 2.105027 1.087358 30 H 8.519245 3.221229 3.395654 2.083581 2.736798 31 H 8.408139 3.042461 3.188257 2.104133 2.778757 32 H 7.804642 2.525393 2.172934 2.079794 3.382320 33 N 8.841842 6.412292 5.494376 7.135716 8.411705 34 H 7.415089 4.438089 3.475800 5.195879 6.523807 35 C 9.881018 6.789431 5.832963 7.294125 8.613021 36 C 9.403738 7.622812 6.746802 8.427395 9.654317 37 H 10.656271 7.386063 6.500813 7.781637 9.027315 38 H 10.405699 7.516278 6.505421 8.045665 9.413310 39 H 9.567807 6.020389 5.060957 6.417281 7.757185 40 H 10.402145 8.343690 7.484470 9.038711 10.242506 41 H 8.881648 7.523824 6.740010 8.405460 9.545552 42 H 9.559725 8.141828 7.213763 9.014395 10.291947 26 27 28 29 30 26 C 0.000000 27 H 2.608957 0.000000 28 H 3.354329 1.765842 0.000000 29 H 2.896101 1.764272 1.758471 0.000000 30 H 1.084517 2.434166 3.606891 3.320114 0.000000 31 H 1.087893 2.935777 3.791429 2.795636 1.760166 32 H 1.081985 3.615413 4.134548 3.835754 1.755243 33 N 6.782462 9.106593 8.876820 8.424243 7.662058 34 H 4.949852 7.213894 6.951198 6.666086 5.840291 35 C 6.664947 9.164654 9.204886 8.666043 7.417377 36 C 8.159099 10.406498 10.065618 9.605456 9.069609 37 H 7.066238 9.555713 9.691647 8.971353 7.816417 38 H 7.395165 9.928313 9.978491 9.548191 8.072582 39 H 5.696637 8.242235 8.390134 7.868558 6.397162 40 H 8.647263 10.953579 10.732907 10.129245 9.535623 41 H 8.293726 10.374488 9.889017 9.428508 9.268692 42 H 8.776237 11.037770 10.648081 10.330275 9.648416 31 32 33 34 35 31 H 0.000000 32 H 1.758902 0.000000 33 N 6.737427 5.934069 0.000000 34 H 5.085168 4.091818 2.040529 0.000000 35 C 6.585082 5.753698 1.445820 2.557194 0.000000 36 C 8.074807 7.345014 1.448857 3.368155 2.474474 37 H 6.826090 6.236276 2.086956 3.359141 1.084343 38 H 7.409423 6.418042 2.100437 3.259799 1.086485 39 H 5.659827 4.759025 2.080873 2.175553 1.081307 40 H 8.455969 7.851406 2.070979 4.088322 2.576992 41 H 8.181408 7.568768 2.076883 3.622497 3.344006 42 H 8.798769 7.899118 2.103780 3.853067 2.955160 36 37 38 39 40 36 C 0.000000 37 H 2.755819 0.000000 38 H 2.770620 1.760750 0.000000 39 H 3.386651 1.755928 1.757810 0.000000 40 H 1.082923 2.434003 2.842480 3.601211 0.000000 41 H 1.078172 3.569553 3.790578 4.128511 1.762417 42 H 1.086062 3.414225 2.863101 3.868387 1.764113 41 42 41 H 0.000000 42 H 1.758917 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.482453 -2.274915 0.140806 2 6 0 3.466724 -2.136725 -1.010965 3 8 0 3.039334 -1.880649 1.363623 4 7 0 -3.262338 -0.381542 -0.183710 5 6 0 -2.226128 -1.281831 -0.051451 6 6 0 -0.863657 -0.974297 -0.066105 7 7 0 -0.146077 0.206131 -0.181416 8 6 0 1.094652 -0.147473 -0.155097 9 7 0 1.269747 -1.511928 -0.051206 10 6 0 0.008480 -2.044783 0.021799 11 7 0 -0.323727 -3.314773 0.128047 12 6 0 -1.632198 -3.483516 0.136288 13 7 0 -2.571918 -2.563784 0.047250 14 1 0 2.145078 -3.299769 0.203504 15 1 0 4.318757 -2.790031 -0.839477 16 1 0 2.998271 -2.437215 -1.941508 17 7 0 2.194417 0.666872 -0.248146 18 1 0 3.816231 -1.119146 -1.096510 19 1 0 3.791513 -2.424995 1.552478 20 6 0 2.020738 1.892264 0.056039 21 1 0 -1.977036 -4.498429 0.221948 22 6 0 -3.111323 0.811325 0.224535 23 1 0 -2.210268 1.164039 0.699279 24 7 0 -4.080575 1.740070 0.127140 25 6 0 -5.312577 1.437246 -0.570815 26 6 0 -3.790710 3.131187 0.380154 27 1 0 -6.104726 2.061017 -0.173668 28 1 0 -5.562785 0.399245 -0.424682 29 1 0 -5.221968 1.625713 -1.637876 30 1 0 -4.583184 3.577765 0.970687 31 1 0 -3.695085 3.696563 -0.544355 32 1 0 -2.864602 3.222997 0.932049 33 7 0 2.969317 2.824274 -0.077693 34 1 0 1.080312 2.253457 0.441525 35 6 0 2.795250 4.150111 0.472083 36 6 0 4.286195 2.471369 -0.568076 37 1 0 3.018599 4.901050 -0.277587 38 1 0 3.448084 4.312321 1.325280 39 1 0 1.772291 4.285463 0.795285 40 1 0 4.740527 3.346874 -1.015061 41 1 0 4.200647 1.695673 -1.312007 42 1 0 4.925352 2.115589 0.234687 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3212236 0.1990303 0.1276882 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.1309691554 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.90D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000394 0.000029 0.000055 Ang= -0.05 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37956187 A.U. after 11 cycles NFock= 11 Conv=0.74D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000114516 0.000083757 0.000062961 2 6 -0.000003530 -0.000072054 0.000077124 3 8 -0.000202645 0.000008305 -0.000017078 4 7 -0.000024651 0.000137140 0.000038752 5 6 -0.000228150 0.000071788 -0.000219690 6 6 0.000108259 -0.000213678 0.000223391 7 7 -0.000535885 -0.000017749 0.000021324 8 6 0.000509900 0.000122573 -0.000131806 9 7 0.000004239 -0.000738835 0.000108089 10 6 0.000128683 0.000520350 -0.000317315 11 7 0.000214686 -0.000815134 0.000396178 12 6 -0.000562123 0.000755452 -0.000310856 13 7 0.000573226 -0.000035449 -0.000120094 14 1 0.000058692 0.000110396 -0.000003485 15 1 -0.000057432 0.000086765 -0.000106015 16 1 0.000001167 -0.000030730 0.000017918 17 7 -0.000218261 -0.000233995 0.000186061 18 1 0.000040190 0.000011317 0.000028332 19 1 -0.000019121 0.000101579 0.000055184 20 6 0.000490440 0.000048905 -0.000470880 21 1 0.000011221 -0.000024428 0.000014577 22 6 -0.000330702 0.000009449 0.000392653 23 1 -0.000001435 -0.000024073 -0.000201406 24 7 0.000279722 -0.000153829 0.000237261 25 6 -0.000048976 0.000001363 -0.000087530 26 6 0.000026993 -0.000022164 -0.000126947 27 1 0.000022316 0.000016380 -0.000038347 28 1 0.000028344 -0.000060809 0.000050053 29 1 -0.000066933 -0.000023708 -0.000043775 30 1 -0.000014951 0.000025533 0.000035842 31 1 0.000066217 0.000016441 0.000010233 32 1 -0.000038351 0.000043238 -0.000059450 33 7 -0.000415192 0.000344335 0.000640136 34 1 -0.000125791 0.000089515 -0.000025461 35 6 0.000165512 -0.000077044 -0.000132638 36 6 0.000044195 -0.000079947 -0.000116788 37 1 0.000012711 -0.000093084 0.000005964 38 1 0.000084573 0.000075122 -0.000041364 39 1 -0.000084538 0.000006841 0.000012293 40 1 -0.000008849 0.000042944 -0.000025151 41 1 -0.000017374 -0.000002989 0.000002688 42 1 0.000019088 -0.000009791 -0.000020938 ------------------------------------------------------------------- Cartesian Forces: Max 0.000815134 RMS 0.000218983 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000757755 RMS 0.000126740 Search for a local minimum. Step number 19 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 DE= -5.15D-05 DEPred=-3.40D-05 R= 1.52D+00 TightC=F SS= 1.41D+00 RLast= 1.15D-01 DXNew= 2.8153D+00 3.4557D-01 Trust test= 1.52D+00 RLast= 1.15D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00092 0.00244 0.00307 0.00375 0.00730 Eigenvalues --- 0.01068 0.01195 0.01243 0.01322 0.01510 Eigenvalues --- 0.01555 0.02054 0.02111 0.02144 0.02244 Eigenvalues --- 0.02333 0.02522 0.02575 0.02604 0.02642 Eigenvalues --- 0.02812 0.02949 0.03140 0.03255 0.03483 Eigenvalues --- 0.04180 0.05420 0.05524 0.05691 0.06076 Eigenvalues --- 0.06646 0.07398 0.07506 0.07578 0.07610 Eigenvalues --- 0.07652 0.07804 0.07844 0.08061 0.08407 Eigenvalues --- 0.15547 0.15842 0.15867 0.15940 0.15971 Eigenvalues --- 0.15990 0.15998 0.16000 0.16001 0.16002 Eigenvalues --- 0.16004 0.16010 0.16025 0.16054 0.16067 Eigenvalues --- 0.16211 0.16272 0.16951 0.17997 0.18630 Eigenvalues --- 0.20729 0.22081 0.22385 0.22927 0.23628 Eigenvalues --- 0.23759 0.24203 0.24357 0.24545 0.24914 Eigenvalues --- 0.24982 0.25300 0.26104 0.26325 0.27512 Eigenvalues --- 0.27928 0.32613 0.32808 0.32990 0.33210 Eigenvalues --- 0.33341 0.33407 0.33538 0.33552 0.33603 Eigenvalues --- 0.33620 0.33671 0.33688 0.33734 0.33763 Eigenvalues --- 0.33786 0.33980 0.34696 0.36009 0.37416 Eigenvalues --- 0.37824 0.39071 0.39751 0.39795 0.40027 Eigenvalues --- 0.40343 0.40646 0.40801 0.41880 0.43016 Eigenvalues --- 0.46376 0.47456 0.48267 0.50187 0.51767 Eigenvalues --- 0.53104 0.54479 0.59474 0.59825 0.65773 Eigenvalues --- 0.67778 0.70710 0.74311 0.76008 0.86772 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 19 18 17 16 15 14 13 12 11 10 RFO step: Lambda=-5.34013540D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.59941 -0.06857 -0.89825 -1.05359 1.68358 RFO-DIIS coefs: 0.11109 -0.21906 -0.30414 0.14843 0.00110 Iteration 1 RMS(Cart)= 0.02792021 RMS(Int)= 0.00035432 Iteration 2 RMS(Cart)= 0.00061812 RMS(Int)= 0.00016661 Iteration 3 RMS(Cart)= 0.00000030 RMS(Int)= 0.00016661 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87491 0.00001 0.00065 -0.00056 0.00009 2.87500 R2 2.64618 -0.00009 -0.00021 -0.00003 -0.00023 2.64595 R3 2.73173 -0.00020 -0.00053 -0.00017 -0.00071 2.73103 R4 2.04237 0.00011 0.00064 -0.00041 0.00023 2.04260 R5 2.05466 -0.00010 -0.00018 -0.00017 -0.00035 2.05431 R6 2.04898 -0.00002 -0.00008 0.00001 -0.00006 2.04892 R7 2.03963 -0.00003 -0.00017 0.00003 -0.00014 2.03949 R8 1.79051 -0.00007 0.00028 -0.00036 -0.00008 1.79043 R9 2.60600 0.00005 -0.00056 0.00045 -0.00011 2.60589 R10 2.39958 0.00015 0.00046 -0.00038 0.00008 2.39966 R11 2.63961 0.00014 -0.00019 0.00009 -0.00010 2.63951 R12 2.51605 0.00031 0.00040 0.00001 0.00041 2.51646 R13 2.61959 0.00002 0.00020 -0.00025 -0.00004 2.61955 R14 2.61459 0.00004 -0.00053 0.00036 -0.00016 2.61442 R15 2.43851 0.00015 0.00125 -0.00066 0.00059 2.43910 R16 2.60699 -0.00011 -0.00212 0.00092 -0.00120 2.60579 R17 2.59196 -0.00007 0.00192 -0.00104 0.00088 2.59283 R18 2.59110 0.00035 0.00258 -0.00100 0.00158 2.59268 R19 2.48879 -0.00018 -0.00066 0.00003 -0.00063 2.48817 R20 2.49318 0.00076 0.00362 -0.00138 0.00224 2.49542 R21 2.49050 -0.00028 -0.00125 0.00026 -0.00099 2.48951 R22 2.03205 -0.00001 -0.00008 0.00003 -0.00005 2.03200 R23 2.40840 -0.00025 -0.00060 0.00001 -0.00059 2.40781 R24 2.52569 0.00008 0.00168 -0.00072 0.00096 2.52665 R25 2.03833 0.00013 0.00036 0.00001 0.00036 2.03869 R26 2.03678 0.00002 -0.00009 0.00031 0.00022 2.03700 R27 2.54342 -0.00029 -0.00074 -0.00014 -0.00088 2.54254 R28 2.73630 -0.00006 0.00072 -0.00024 0.00048 2.73678 R29 2.72753 -0.00008 0.00002 -0.00011 -0.00009 2.72743 R30 2.04782 0.00001 -0.00018 -0.00004 -0.00021 2.04761 R31 2.03653 -0.00002 0.00062 -0.00014 0.00048 2.03701 R32 2.05481 -0.00004 -0.00054 -0.00016 -0.00070 2.05411 R33 2.04944 -0.00001 0.00040 -0.00029 0.00011 2.04955 R34 2.05582 -0.00002 -0.00018 -0.00013 -0.00031 2.05551 R35 2.04466 -0.00005 0.00000 -0.00022 -0.00022 2.04444 R36 2.73220 -0.00008 -0.00069 0.00022 -0.00047 2.73173 R37 2.73794 -0.00006 0.00115 -0.00082 0.00033 2.73827 R38 2.04911 0.00001 -0.00030 -0.00008 -0.00039 2.04872 R39 2.05316 -0.00004 0.00074 -0.00044 0.00030 2.05346 R40 2.04337 0.00004 0.00029 -0.00007 0.00022 2.04359 R41 2.04643 -0.00003 -0.00020 -0.00010 -0.00030 2.04613 R42 2.03745 -0.00001 0.00064 -0.00016 0.00048 2.03793 R43 2.05236 0.00003 -0.00024 -0.00002 -0.00026 2.05210 A1 1.95870 -0.00000 -0.00155 0.00090 -0.00066 1.95805 A2 1.97605 0.00022 0.00400 -0.00212 0.00188 1.97793 A3 1.90923 -0.00007 -0.00280 0.00218 -0.00062 1.90861 A4 1.87655 -0.00020 0.00036 -0.00087 -0.00051 1.87604 A5 1.91821 0.00009 0.00054 -0.00034 0.00020 1.91842 A6 1.81969 -0.00004 -0.00043 0.00016 -0.00027 1.81942 A7 1.91029 -0.00017 -0.00274 0.00087 -0.00187 1.90842 A8 1.92308 0.00006 0.00127 -0.00042 0.00085 1.92393 A9 1.93387 0.00009 0.00080 -0.00014 0.00065 1.93452 A10 1.88326 0.00003 -0.00012 0.00002 -0.00011 1.88316 A11 1.90205 0.00004 0.00133 -0.00079 0.00053 1.90259 A12 1.91045 -0.00004 -0.00055 0.00046 -0.00009 1.91037 A13 1.90499 -0.00017 0.00092 -0.00168 -0.00075 1.90424 A14 2.08643 -0.00022 -0.00315 0.00092 -0.00223 2.08420 A15 2.19961 -0.00027 -0.00284 -0.00033 -0.00317 2.19643 A16 2.02699 0.00029 0.00266 0.00014 0.00280 2.02980 A17 2.05566 -0.00003 0.00013 0.00018 0.00031 2.05597 A18 2.33681 -0.00017 -0.00060 -0.00016 -0.00076 2.33606 A19 2.03067 0.00005 -0.00049 0.00024 -0.00025 2.03042 A20 1.91540 0.00012 0.00107 -0.00009 0.00097 1.91637 A21 1.83660 -0.00017 -0.00117 0.00005 -0.00111 1.83548 A22 1.97642 0.00022 0.00110 0.00005 0.00116 1.97758 A23 2.22291 -0.00052 -0.00324 0.00107 -0.00217 2.22074 A24 2.08353 0.00030 0.00220 -0.00119 0.00101 2.08454 A25 2.26336 0.00025 0.00119 0.00028 0.00146 2.26482 A26 2.16457 -0.00011 -0.00042 0.00011 -0.00032 2.16425 A27 1.84588 -0.00014 -0.00014 -0.00020 -0.00034 1.84553 A28 1.85019 -0.00004 -0.00086 0.00022 -0.00064 1.84955 A29 2.20459 0.00010 0.00152 -0.00082 0.00070 2.20529 A30 2.22820 -0.00006 -0.00067 0.00061 -0.00007 2.22814 A31 1.95412 -0.00013 -0.00116 0.00047 -0.00069 1.95343 A32 2.23634 0.00005 -0.00054 0.00067 0.00013 2.23646 A33 2.02557 -0.00005 -0.00102 0.00028 -0.00074 2.02483 A34 2.02127 0.00000 0.00157 -0.00095 0.00062 2.02188 A35 2.08490 -0.00004 0.00054 -0.00074 -0.00020 2.08470 A36 2.03241 -0.00065 -0.00249 0.00050 -0.00199 2.03043 A37 2.15301 -0.00009 -0.00153 0.00004 -0.00149 2.15152 A38 2.12478 0.00007 0.00138 -0.00026 0.00112 2.12589 A39 2.00539 0.00002 0.00015 0.00020 0.00034 2.00573 A40 2.15131 0.00004 -0.00051 0.00035 -0.00017 2.15114 A41 2.14043 -0.00002 0.00001 -0.00008 -0.00008 2.14035 A42 1.99116 -0.00002 0.00048 -0.00040 0.00007 1.99123 A43 2.09820 0.00000 -0.00018 -0.00084 0.00035 2.09855 A44 2.10338 0.00011 0.00111 0.00060 0.00293 2.10632 A45 2.04534 -0.00009 -0.00075 0.00141 0.00189 2.04724 A46 1.90173 0.00003 0.00015 0.00011 0.00026 1.90199 A47 1.91093 -0.00009 0.00166 -0.00061 0.00105 1.91198 A48 1.94537 0.00001 -0.00212 0.00082 -0.00130 1.94407 A49 1.91241 0.00003 0.00021 -0.00034 -0.00013 1.91228 A50 1.89736 -0.00001 0.00014 0.00015 0.00029 1.89765 A51 1.89585 0.00004 -0.00003 -0.00014 -0.00017 1.89568 A52 1.92365 0.00001 0.00106 -0.00009 0.00097 1.92462 A53 1.94935 -0.00009 -0.00151 0.00032 -0.00119 1.94816 A54 1.92100 0.00005 0.00042 -0.00043 -0.00001 1.92100 A55 1.88911 0.00002 -0.00001 0.00022 0.00021 1.88932 A56 1.88890 -0.00002 -0.00017 -0.00004 -0.00021 1.88868 A57 1.89034 0.00003 0.00022 0.00002 0.00025 1.89059 A58 2.11293 0.00005 0.00055 -0.00216 -0.00154 2.11140 A59 2.10493 -0.00004 -0.00315 -0.00047 -0.00358 2.10135 A60 2.05047 -0.00004 -0.00271 0.00219 -0.00039 2.05007 A61 1.92556 0.00005 -0.00231 0.00147 -0.00084 1.92472 A62 1.94247 -0.00016 0.00269 -0.00186 0.00084 1.94330 A63 1.92020 0.00011 -0.00030 0.00018 -0.00012 1.92008 A64 1.89205 0.00002 0.00011 0.00016 0.00026 1.89231 A65 1.89106 -0.00003 -0.00038 -0.00018 -0.00056 1.89050 A66 1.89129 0.00000 0.00017 0.00024 0.00042 1.89171 A67 1.90086 -0.00005 -0.00011 -0.00035 -0.00046 1.90041 A68 1.91416 0.00000 0.00154 -0.00102 0.00052 1.91469 A69 1.94391 0.00000 -0.00057 0.00024 -0.00033 1.94358 A70 1.90725 0.00001 -0.00096 0.00062 -0.00034 1.90691 A71 1.89972 0.00003 0.00081 0.00027 0.00107 1.90080 A72 1.89760 0.00001 -0.00073 0.00027 -0.00046 1.89714 D1 1.08681 0.00008 0.00395 -0.00046 0.00349 1.09029 D2 -3.12815 0.00004 0.00288 -0.00016 0.00273 -3.12542 D3 -1.01122 0.00008 0.00356 0.00005 0.00362 -1.00761 D4 -3.06802 -0.00002 0.00624 -0.00252 0.00372 -3.06430 D5 -0.99979 -0.00006 0.00518 -0.00221 0.00296 -0.99682 D6 1.11714 -0.00002 0.00586 -0.00201 0.00385 1.12099 D7 -1.04700 0.00001 0.00629 -0.00217 0.00411 -1.04289 D8 1.02123 -0.00003 0.00523 -0.00187 0.00335 1.02458 D9 3.13815 0.00001 0.00591 -0.00166 0.00424 -3.14080 D10 -1.05070 0.00005 -0.00291 -0.00150 -0.00441 -1.05511 D11 3.04837 -0.00008 -0.00722 0.00123 -0.00599 3.04238 D12 1.07801 0.00003 -0.00717 0.00166 -0.00551 1.07249 D13 -1.10688 -0.00000 0.00181 0.00310 0.00491 -1.10197 D14 2.20308 -0.00002 -0.00372 0.00138 -0.00234 2.20074 D15 1.06680 -0.00001 0.00280 0.00217 0.00497 1.07177 D16 -1.90643 -0.00002 -0.00273 0.00045 -0.00229 -1.90871 D17 3.10280 -0.00001 0.00337 0.00148 0.00484 3.10764 D18 0.12958 -0.00002 -0.00216 -0.00024 -0.00241 0.12716 D19 -0.52313 -0.00014 -0.02816 -0.00286 -0.03103 -0.55416 D20 2.66598 -0.00010 -0.02689 -0.00264 -0.02952 2.63646 D21 -0.02613 -0.00015 -0.00617 -0.00249 -0.00866 -0.03478 D22 -3.14090 0.00018 -0.00499 0.00424 -0.00075 3.14153 D23 0.02103 0.00002 0.00039 -0.00013 0.00028 0.02131 D24 -3.09120 0.00002 0.00149 0.00045 0.00196 -3.08924 D25 3.11441 -0.00001 -0.00082 -0.00037 -0.00118 3.11322 D26 0.00217 -0.00000 0.00027 0.00022 0.00050 0.00267 D27 3.10671 -0.00004 -0.00162 -0.00029 -0.00186 3.10486 D28 0.00856 -0.00000 -0.00030 -0.00006 -0.00037 0.00819 D29 -3.11981 0.00002 0.00171 0.00014 0.00185 -3.11796 D30 -0.00617 0.00002 0.00065 -0.00041 0.00023 -0.00593 D31 3.11103 -0.00002 -0.00163 0.00091 -0.00072 3.11032 D32 -0.01028 0.00000 -0.00068 0.00018 -0.00049 -0.01078 D33 -0.00808 -0.00002 -0.00077 0.00136 0.00060 -0.00748 D34 -3.12940 0.00001 0.00018 0.00063 0.00082 -3.12858 D35 0.01863 -0.00001 -0.00025 -0.00073 -0.00098 0.01765 D36 3.13238 0.00001 0.00241 -0.00342 -0.00101 3.13138 D37 -3.02077 -0.00001 -0.00493 0.00009 -0.00484 -3.02561 D38 -0.02400 -0.00000 -0.00022 0.00159 0.00137 -0.02263 D39 0.14622 -0.00001 -0.00727 0.00251 -0.00476 0.14145 D40 -3.14020 -0.00000 -0.00256 0.00400 0.00145 -3.13875 D41 0.38348 0.00001 -0.00044 0.00184 0.00140 0.38487 D42 -2.78747 0.00003 0.00234 -0.00098 0.00137 -2.78610 D43 3.02541 0.00005 0.00512 -0.00031 0.00481 3.03022 D44 -0.13683 0.00003 0.00420 0.00041 0.00460 -0.13223 D45 0.01822 0.00001 0.00058 -0.00171 -0.00113 0.01709 D46 3.13918 -0.00001 -0.00034 -0.00099 -0.00135 3.13783 D47 0.00626 0.00001 0.00095 -0.00067 0.00029 0.00656 D48 -3.11070 0.00004 0.00210 -0.00154 0.00057 -3.11014 D49 0.00635 -0.00002 -0.00099 0.00087 -0.00012 0.00623 D50 -3.14044 -0.00000 0.00066 -0.00088 -0.00021 -3.14065 D51 -0.01405 0.00002 0.00073 -0.00055 0.00019 -0.01386 D52 3.13273 -0.00000 -0.00092 0.00120 0.00028 3.13301 D53 -3.05407 0.00004 -0.00202 0.00595 0.00393 -3.05014 D54 0.08287 0.00000 -0.00270 0.00139 -0.00131 0.08156 D55 -2.97143 0.00012 0.02213 -0.00299 0.01931 -2.95212 D56 -0.01882 -0.00005 -0.00694 -0.00550 -0.01261 -0.03143 D57 0.17453 0.00016 0.02275 0.00128 0.02421 0.19874 D58 3.12714 -0.00001 -0.00631 -0.00123 -0.00771 3.11943 D59 -0.09970 -0.00017 0.00415 -0.00349 0.00078 -0.09892 D60 -2.94728 -0.00023 -0.01236 -0.00837 -0.02085 -2.96812 D61 3.06645 0.00013 0.00523 0.00267 0.00802 3.07447 D62 0.21888 0.00007 -0.01128 -0.00221 -0.01361 0.20527 D63 2.68515 -0.00010 0.01709 -0.00261 0.01441 2.69956 D64 0.59383 -0.00010 0.01575 -0.00190 0.01378 0.60761 D65 -1.50418 -0.00009 0.01605 -0.00185 0.01413 -1.49005 D66 -0.74094 -0.00002 0.03345 0.00198 0.03550 -0.70543 D67 -2.83226 -0.00001 0.03211 0.00269 0.03487 -2.79739 D68 1.35292 -0.00001 0.03240 0.00275 0.03522 1.38814 D69 -2.39884 -0.00002 0.01789 0.00022 0.01786 -2.38098 D70 1.78371 0.00000 0.01818 -0.00020 0.01773 1.80144 D71 -0.31670 -0.00001 0.01861 -0.00015 0.01820 -0.29850 D72 1.02814 -0.00009 0.00100 -0.00414 -0.00289 1.02525 D73 -1.07250 -0.00007 0.00129 -0.00457 -0.00302 -1.07552 D74 3.11028 -0.00008 0.00171 -0.00452 -0.00255 3.10773 D75 -2.27337 -0.00019 -0.04180 -0.00311 -0.04483 -2.31820 D76 1.90873 -0.00015 -0.04215 -0.00308 -0.04514 1.86358 D77 -0.18785 -0.00012 -0.04393 -0.00230 -0.04613 -0.23398 D78 1.05151 -0.00002 -0.01298 -0.00042 -0.01348 1.03803 D79 -1.04958 0.00002 -0.01333 -0.00038 -0.01380 -1.06338 D80 3.13703 0.00005 -0.01510 0.00040 -0.01479 3.12224 D81 2.70488 0.00007 0.04383 -0.00109 0.04271 2.74759 D82 0.61843 0.00009 0.04415 -0.00103 0.04310 0.66152 D83 -1.48299 0.00008 0.04441 -0.00084 0.04354 -1.43945 D84 -0.61912 -0.00009 0.01571 -0.00396 0.01178 -0.60734 D85 -2.70557 -0.00007 0.01604 -0.00390 0.01217 -2.69341 D86 1.47620 -0.00008 0.01629 -0.00371 0.01261 1.48881 Item Value Threshold Converged? Maximum Force 0.000758 0.000450 NO RMS Force 0.000127 0.000300 YES Maximum Displacement 0.150226 0.001800 NO RMS Displacement 0.027906 0.001200 NO Predicted change in Energy=-2.369437D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.960888 -4.936023 2.055831 2 6 0 7.186072 -5.233149 3.530830 3 8 0 6.842309 -6.104283 1.293201 4 7 0 2.992730 -0.801091 0.099928 5 6 0 4.226947 -1.385534 0.291557 6 6 0 4.467586 -2.588199 0.959879 7 7 0 3.651625 -3.524791 1.575158 8 6 0 4.456921 -4.416956 2.045777 9 7 0 5.785066 -4.133535 1.806733 10 6 0 5.793045 -2.961453 1.093635 11 7 0 6.839219 -2.300528 0.643804 12 6 0 6.490559 -1.186070 0.027213 13 7 0 5.278584 -0.704919 -0.160238 14 1 0 7.777588 -4.334146 1.682885 15 1 0 8.123738 -5.769922 3.650975 16 1 0 7.256937 -4.308737 4.092988 17 7 0 4.124795 -5.545171 2.752456 18 1 0 6.383101 -5.834893 3.928229 19 1 0 7.641257 -6.607624 1.370697 20 6 0 2.933520 -5.973116 2.606814 21 1 0 7.296342 -0.593859 -0.368066 22 6 0 1.966537 -1.538212 -0.026917 23 1 0 2.008491 -2.615323 -0.023997 24 7 0 0.732271 -1.037229 -0.216264 25 6 0 0.509168 0.392664 -0.161132 26 6 0 -0.428644 -1.891614 -0.142736 27 1 0 -0.367699 0.635395 -0.749570 28 1 0 1.367061 0.907306 -0.562525 29 1 0 0.348655 0.729729 0.859733 30 1 0 -1.112858 -1.666529 -0.953595 31 1 0 -0.960924 -1.764526 0.797307 32 1 0 -0.132350 -2.928593 -0.228313 33 7 0 2.431782 -6.997757 3.303997 34 1 0 2.248104 -5.520037 1.907673 35 6 0 1.164485 -7.592845 2.944140 36 6 0 3.258323 -7.710956 4.256819 37 1 0 0.543597 -7.715615 3.824356 38 1 0 1.301862 -8.566802 2.482265 39 1 0 0.641102 -6.954696 2.245346 40 1 0 2.617356 -8.202666 4.977766 41 1 0 3.903537 -7.015940 4.770290 42 1 0 3.873314 -8.458757 3.765072 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521385 0.000000 3 O 1.400177 2.425702 0.000000 4 N 6.055534 6.999881 6.660856 0.000000 5 C 4.815918 5.835533 5.487258 1.378980 0.000000 6 C 3.595824 4.582108 4.255968 2.471531 1.396769 7 N 3.629579 4.385824 4.112632 3.166857 2.560282 8 C 2.557221 3.212447 3.017203 4.359434 3.509942 9 N 1.445197 2.478806 2.294629 4.670707 3.503570 10 C 2.487691 3.611239 3.319362 3.673742 2.362099 11 N 2.992400 4.129829 3.858792 4.164083 2.790208 12 C 4.289365 5.397955 5.090704 3.519702 2.287707 13 N 5.063927 6.145516 5.806105 2.302621 1.331653 14 H 1.080899 2.138457 2.039604 6.154924 4.820493 15 H 2.142916 1.087096 2.704248 7.976619 6.759699 16 H 2.152008 1.084242 3.351821 6.814071 5.672462 17 N 2.983248 3.174057 3.134790 5.551916 4.834153 18 H 2.155847 1.079252 2.688274 7.175630 6.137685 19 H 1.930430 2.600491 0.947457 7.545825 6.331846 20 C 4.195096 4.414244 4.125701 5.747853 5.298987 21 H 4.984194 6.061069 5.773276 4.333940 3.237752 22 C 6.389562 7.318037 6.809175 1.269846 2.287834 23 H 5.851288 6.804201 6.105215 2.067733 2.556071 24 N 7.691469 8.561426 8.079981 2.294649 3.548515 25 C 8.656473 9.479525 9.188802 2.767903 4.145937 26 C 8.288987 9.090921 8.524978 3.599156 4.703111 27 H 9.623885 10.479555 10.078709 3.752016 5.126292 28 H 8.502422 9.397959 9.087598 2.449544 3.763711 29 H 8.789371 9.457323 9.437116 3.148309 4.454022 30 H 9.215835 10.084795 9.382240 4.326054 5.490253 31 H 8.625392 9.266986 8.942586 4.128671 5.226224 32 H 7.717585 8.544087 7.813186 3.794750 4.653468 33 N 5.130445 5.076275 4.928929 6.998527 6.617737 34 H 4.751143 5.205811 4.671792 5.107921 4.860222 35 C 6.437864 6.493989 6.097467 7.586827 7.412529 36 C 5.123825 4.700404 4.920303 8.068241 7.528113 37 H 7.213559 7.097272 6.976884 8.226800 8.131276 38 H 6.737134 6.843732 6.178546 8.297037 8.057662 39 H 6.637066 6.888601 6.331252 6.928191 6.905877 40 H 6.170489 5.637803 5.985772 8.872290 8.427611 41 H 4.587127 3.935688 4.643021 7.827272 7.201743 42 H 4.986409 4.629664 4.524227 8.535137 7.888019 6 7 8 9 10 6 C 0.000000 7 N 1.386205 0.000000 8 C 2.126886 1.290714 0.000000 9 N 2.200223 2.230643 1.378927 0.000000 10 C 1.383492 2.266030 2.193238 1.371987 0.000000 11 N 2.409834 3.539349 3.481399 2.413204 1.316681 12 C 2.632157 3.990651 4.318438 3.514535 2.185352 13 N 2.336477 3.689211 4.395550 3.985086 2.632264 14 H 3.811454 4.205975 3.341463 2.006420 2.483931 15 H 5.543718 5.417511 4.225248 3.398290 4.456413 16 H 4.533994 4.466801 3.470284 2.724713 3.599204 17 N 3.474842 2.385761 1.372068 2.375628 3.494331 18 H 4.798055 4.281878 3.043738 2.784423 4.079185 19 H 5.137775 5.046070 3.923614 3.123569 4.097220 20 C 4.064900 2.752141 2.248810 3.486474 4.420034 21 H 3.707113 5.064626 5.339009 4.420747 3.162589 22 C 2.886431 3.058212 4.334195 4.967810 4.233605 23 H 2.648753 2.466641 3.677588 4.463077 3.961282 24 N 4.212054 4.233177 5.514745 6.261818 5.570449 25 C 5.080480 5.313774 6.602095 7.224546 6.383094 26 C 5.066957 4.718795 5.919096 6.887440 6.432929 27 H 6.057537 6.234298 7.524439 8.193528 7.368139 28 H 4.914216 5.425164 6.685675 7.109306 6.107331 29 H 5.290016 5.433451 6.691258 7.355455 6.581863 30 H 5.970947 5.705088 6.898081 7.828594 7.318434 31 H 5.493049 4.997919 6.160122 7.220770 6.865605 32 H 4.763095 4.233961 5.333678 6.372528 6.071155 33 N 5.392920 4.066742 3.513522 4.657261 5.698731 34 H 3.797379 2.462000 2.472799 3.800353 4.446978 35 C 6.316190 4.960751 4.661917 5.883052 6.804244 36 C 6.210860 4.986980 4.144367 5.018496 6.244064 37 H 7.063520 5.681702 5.418357 6.661464 7.590494 38 H 6.934203 5.636143 5.231266 6.341082 7.315665 39 H 5.946487 4.612662 4.586984 5.883171 6.619286 40 H 7.147658 5.876221 5.129538 6.053732 7.255467 41 H 5.868754 4.739246 3.805775 4.542145 5.790242 42 H 6.533431 5.402675 4.430883 5.118343 6.406426 11 12 13 14 15 11 N 0.000000 12 C 1.320517 0.000000 13 N 2.372348 1.317394 0.000000 14 H 2.468972 3.782601 4.776339 0.000000 15 H 4.767574 6.067176 6.947986 2.460621 0.000000 16 H 4.013011 5.183523 5.915346 2.465830 1.755500 17 N 4.726755 5.659112 5.765680 3.994178 4.104801 18 H 4.846362 6.069681 6.652230 3.039474 1.763776 19 H 4.441025 5.702832 6.539718 2.298858 2.476732 20 C 5.709272 6.497897 6.396077 5.196619 5.298105 21 H 2.036065 1.075288 2.031470 4.292754 6.605218 22 C 4.977351 4.538029 3.417866 6.671505 8.327387 23 H 4.886817 4.704712 3.789685 6.257018 7.800843 24 N 6.295273 5.765355 4.558787 8.007054 9.591022 25 C 6.926092 6.189096 4.894080 8.864144 10.511484 26 C 7.321727 6.957157 5.829323 8.754490 10.128018 27 H 7.905745 7.138405 5.833032 9.846769 11.510750 28 H 6.456775 5.565990 4.249837 8.579600 10.391902 29 H 7.166346 6.487400 5.234765 9.028259 10.511347 30 H 8.135672 7.681456 6.511885 9.649209 11.106512 31 H 7.820044 7.513471 6.400869 9.151435 10.330425 32 H 7.053922 6.853072 5.850433 8.258048 9.554319 33 N 6.968937 7.809397 7.726902 6.188737 5.833209 34 H 5.748124 6.349631 6.053547 5.659687 6.133891 35 C 8.093379 8.827361 8.602704 7.479507 7.228684 36 C 7.426266 8.420870 8.525046 6.200946 5.273226 37 H 8.892352 9.613511 9.351307 8.267457 7.827791 38 H 8.562035 9.350137 9.198171 7.777494 7.465012 39 H 7.914725 8.509601 8.145722 7.623193 7.705149 40 H 8.452372 9.420313 9.470873 7.242215 6.164321 41 H 6.919626 7.948386 8.125875 5.633148 4.540432 42 H 7.514166 8.585659 8.803684 6.049072 5.030800 16 17 18 19 20 16 H 0.000000 17 N 3.624377 0.000000 18 H 1.766320 2.562485 0.000000 19 H 3.583776 3.924737 2.953141 0.000000 20 C 4.865264 1.274160 3.696600 4.908500 0.000000 21 H 5.805417 6.656715 6.838172 6.269579 7.537939 22 C 7.255188 5.332796 7.321932 7.736582 5.247853 23 H 6.882107 4.557570 6.717361 7.043556 4.364815 24 N 8.476065 6.375270 8.492720 9.015644 6.097397 25 C 9.259216 7.537881 9.487278 10.110253 7.352698 26 C 9.102307 6.516474 8.861269 9.468607 5.960103 27 H 10.297081 8.405123 10.455608 11.004554 8.113925 28 H 9.141747 7.760713 9.528105 9.978830 7.735548 29 H 9.141359 7.564127 9.429978 10.357600 7.393372 30 H 10.124363 7.497445 9.868985 10.317523 6.899012 31 H 9.212369 6.631774 8.961320 9.888472 6.012756 32 H 8.670640 5.818483 8.256787 8.747631 5.167845 33 N 5.579915 2.297933 4.165914 5.570321 1.337047 34 H 5.597432 2.058218 4.613023 5.527864 1.078830 35 C 7.015924 3.604601 5.593996 6.737579 2.422148 36 C 5.252699 2.775699 3.659484 5.362570 2.418285 37 H 7.533121 4.322589 6.135774 7.591104 3.198507 38 H 7.495896 4.143936 5.947532 6.727696 3.066762 39 H 7.360988 3.792102 6.087414 7.063118 2.519790 40 H 6.121375 3.779770 4.570418 6.387072 3.269904 41 H 4.362680 2.506745 2.872661 5.068975 2.590182 42 H 5.364615 3.094773 3.634600 4.832921 2.898825 21 22 23 24 25 21 H 0.000000 22 C 5.423560 0.000000 23 H 5.671513 1.077932 0.000000 24 N 6.580779 1.345455 2.038648 0.000000 25 C 6.861616 2.422854 3.363742 1.448243 0.000000 26 C 7.836475 2.423881 2.545090 1.443296 2.469363 27 H 7.771366 3.270390 4.091443 2.071719 1.083547 28 H 6.119451 2.574258 3.620824 2.074626 1.077939 29 H 7.178421 2.923568 3.837370 2.104061 1.086988 30 H 8.497535 3.218365 3.392224 2.084269 2.738475 31 H 8.420866 3.049687 3.196220 2.103139 2.780871 32 H 7.788194 2.525678 2.173266 2.079657 3.383314 33 N 8.840695 6.412337 5.519098 7.128006 8.385815 34 H 7.411539 4.435859 3.496588 5.186948 6.501068 35 C 9.877054 6.791837 5.856442 7.290478 8.593051 36 C 9.399373 7.623771 6.771480 8.421879 9.630411 37 H 10.672177 7.417369 6.555052 7.807883 9.034904 38 H 10.374295 7.492587 6.496212 8.018788 9.374857 39 H 9.569868 6.021483 5.084273 6.409700 7.732545 40 H 10.409840 8.359747 7.523746 9.048480 10.233887 41 H 8.897019 7.534631 6.778039 8.406404 9.525129 42 H 9.521374 8.118431 7.209738 8.988675 10.250864 26 27 28 29 30 26 C 0.000000 27 H 2.599564 0.000000 28 H 3.351825 1.765875 0.000000 29 H 2.912143 1.764063 1.758267 0.000000 30 H 1.084575 2.428115 3.595493 3.341591 0.000000 31 H 1.087729 2.916224 3.795701 2.817836 1.760212 32 H 1.081869 3.609586 4.132077 3.846887 1.755060 33 N 6.792253 9.084795 8.864177 8.368267 7.688533 34 H 4.953243 7.196715 6.941819 6.615562 5.859389 35 C 6.676145 9.148498 9.197299 8.618328 7.449822 36 C 8.174017 10.386219 10.053725 9.552567 9.098941 37 H 7.113512 9.565073 9.709664 8.952699 7.884420 38 H 7.378578 9.895080 9.951569 9.485078 8.077733 39 H 5.699307 8.221720 8.379871 7.813824 6.424508 40 H 8.679115 10.946427 10.735439 10.094201 9.582099 41 H 8.316510 10.356410 9.881824 9.376835 9.302863 42 H 8.769560 11.003263 10.617558 10.261214 9.657230 31 32 33 34 35 31 H 0.000000 32 H 1.758831 0.000000 33 N 6.721655 5.967418 0.000000 34 H 5.063066 4.116379 2.041351 0.000000 35 C 6.564721 5.788047 1.445569 2.558326 0.000000 36 C 8.070335 7.381332 1.449032 3.367367 2.474113 37 H 6.844126 6.308455 2.085986 3.376326 1.084137 38 H 7.364118 6.418223 2.100920 3.241652 1.086643 39 H 5.621492 4.788186 2.080656 2.180533 1.081423 40 H 8.469355 7.904428 2.070688 4.093692 2.572615 41 H 8.186875 7.614513 2.077597 3.629430 3.342162 42 H 8.774407 7.910447 2.103599 3.837618 2.959981 36 37 38 39 40 36 C 0.000000 37 H 2.748961 0.000000 38 H 2.776555 1.760878 0.000000 39 H 3.386414 1.755498 1.758300 0.000000 40 H 1.082766 2.422406 2.844405 3.595709 0.000000 41 H 1.078425 3.559991 3.795911 4.125842 1.762279 42 H 1.085926 3.412154 2.875697 3.875430 1.764551 41 42 41 H 0.000000 42 H 1.758721 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487172 -2.269706 0.147914 2 6 0 3.473549 -2.134222 -1.002441 3 8 0 3.042452 -1.871985 1.370198 4 7 0 -3.256886 -0.384936 -0.202704 5 6 0 -2.222559 -1.285735 -0.060174 6 6 0 -0.860657 -0.975776 -0.070571 7 7 0 -0.145649 0.205835 -0.189424 8 6 0 1.095768 -0.146067 -0.157920 9 7 0 1.273870 -1.508855 -0.045986 10 6 0 0.012746 -2.044451 0.025096 11 7 0 -0.316918 -3.314400 0.135553 12 6 0 -1.626318 -3.485344 0.139374 13 7 0 -2.566870 -2.567976 0.042812 14 1 0 2.150778 -3.294893 0.212514 15 1 0 4.322785 -2.790008 -0.827741 16 1 0 3.006825 -2.434432 -1.933904 17 7 0 2.193295 0.671834 -0.253016 18 1 0 3.826081 -1.117785 -1.088241 19 1 0 3.792008 -2.418574 1.562764 20 6 0 2.012635 1.897214 0.045800 21 1 0 -1.969125 -4.500672 0.227911 22 6 0 -3.115951 0.800251 0.230857 23 1 0 -2.229726 1.141589 0.740791 24 7 0 -4.081965 1.730874 0.125941 25 6 0 -5.296797 1.441592 -0.607482 26 6 0 -3.808939 3.113949 0.435235 27 1 0 -6.094810 2.069268 -0.228972 28 1 0 -5.559628 0.404574 -0.475321 29 1 0 -5.174148 1.635757 -1.669933 30 1 0 -4.617696 3.534312 1.023037 31 1 0 -3.696850 3.711737 -0.466564 32 1 0 -2.896307 3.192392 1.010900 33 7 0 2.956794 2.833434 -0.094737 34 1 0 1.069499 2.256400 0.427051 35 6 0 2.785735 4.153170 0.469803 36 6 0 4.277746 2.476811 -0.571813 37 1 0 3.038313 4.911011 -0.263160 38 1 0 3.417794 4.295086 1.342244 39 1 0 1.756152 4.297837 0.767303 40 1 0 4.748881 3.357426 -0.990059 41 1 0 4.196355 1.720127 -1.335884 42 1 0 4.898741 2.093944 0.232559 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3210299 0.1991350 0.1278208 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.1974665377 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999999 -0.000219 0.000253 -0.000944 Ang= -0.11 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37958687 A.U. after 12 cycles NFock= 12 Conv=0.88D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000186605 0.000079948 -0.000004986 2 6 -0.000070257 0.000062609 -0.000046893 3 8 -0.000084069 -0.000112469 -0.000057731 4 7 -0.000018122 -0.000155557 0.000243871 5 6 -0.000123913 -0.000164532 -0.000009925 6 6 -0.000196011 0.000205092 -0.000029260 7 7 0.000180342 -0.000051305 0.000010638 8 6 -0.000387640 0.000033346 0.000019230 9 7 0.000140534 0.000265194 -0.000021060 10 6 0.000192597 -0.000314084 0.000104897 11 7 -0.000102325 0.000215923 -0.000165248 12 6 0.000122883 -0.000219038 0.000194223 13 7 0.000057608 0.000143228 -0.000081764 14 1 -0.000007983 0.000050244 -0.000007500 15 1 0.000003544 -0.000030240 0.000038553 16 1 -0.000000587 0.000018017 -0.000013653 17 7 0.000118552 -0.000033119 -0.000233075 18 1 -0.000042667 -0.000043984 0.000019170 19 1 -0.000008188 -0.000013437 0.000008037 20 6 -0.000089228 0.000002341 0.000115807 21 1 -0.000008270 -0.000005283 -0.000009515 22 6 -0.000174907 0.000351974 -0.000499722 23 1 0.000013183 -0.000073407 0.000151101 24 7 0.000085292 -0.000097581 -0.000184524 25 6 0.000139864 -0.000159352 0.000117053 26 6 0.000141391 0.000076650 0.000180154 27 1 0.000059198 -0.000057477 -0.000088950 28 1 0.000013168 -0.000150107 0.000093099 29 1 -0.000130533 0.000194574 0.000059438 30 1 0.000030930 0.000052600 0.000032056 31 1 -0.000053217 -0.000070536 0.000023080 32 1 -0.000005294 -0.000029332 -0.000011601 33 7 -0.000106144 0.000196356 0.000610228 34 1 0.000062933 -0.000025543 -0.000041342 35 6 -0.000021653 -0.000105848 -0.000342223 36 6 0.000069246 0.000097065 -0.000114291 37 1 0.000058904 -0.000029962 0.000004591 38 1 -0.000066187 0.000001701 -0.000038536 39 1 -0.000062903 -0.000008919 0.000022635 40 1 -0.000005493 0.000053474 -0.000053577 41 1 -0.000020162 -0.000023833 -0.000045287 42 1 0.000108981 -0.000125392 0.000052801 ------------------------------------------------------------------- Cartesian Forces: Max 0.000610228 RMS 0.000137491 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000378102 RMS 0.000089125 Search for a local minimum. Step number 20 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 DE= -2.50D-05 DEPred=-2.37D-06 R= 1.06D+01 TightC=F SS= 1.41D+00 RLast= 1.50D-01 DXNew= 2.8153D+00 4.4901D-01 Trust test= 1.06D+01 RLast= 1.50D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00084 0.00183 0.00245 0.00405 0.00655 Eigenvalues --- 0.00928 0.01195 0.01247 0.01298 0.01512 Eigenvalues --- 0.01542 0.02059 0.02110 0.02148 0.02242 Eigenvalues --- 0.02322 0.02542 0.02584 0.02600 0.02646 Eigenvalues --- 0.02818 0.03086 0.03219 0.03317 0.03490 Eigenvalues --- 0.04382 0.05422 0.05520 0.05705 0.06076 Eigenvalues --- 0.06656 0.07402 0.07503 0.07580 0.07611 Eigenvalues --- 0.07655 0.07804 0.07889 0.08035 0.08419 Eigenvalues --- 0.15556 0.15847 0.15856 0.15969 0.15978 Eigenvalues --- 0.15990 0.15999 0.16001 0.16001 0.16003 Eigenvalues --- 0.16009 0.16017 0.16035 0.16063 0.16132 Eigenvalues --- 0.16235 0.16500 0.17219 0.17908 0.18583 Eigenvalues --- 0.20832 0.22274 0.22362 0.22927 0.23631 Eigenvalues --- 0.23950 0.24349 0.24412 0.24616 0.24922 Eigenvalues --- 0.24985 0.25620 0.26043 0.26526 0.27530 Eigenvalues --- 0.28036 0.32802 0.32967 0.32996 0.33230 Eigenvalues --- 0.33344 0.33420 0.33537 0.33562 0.33619 Eigenvalues --- 0.33628 0.33672 0.33689 0.33762 0.33773 Eigenvalues --- 0.33845 0.34066 0.34733 0.36059 0.37494 Eigenvalues --- 0.37973 0.39183 0.39793 0.39970 0.40172 Eigenvalues --- 0.40391 0.40745 0.41614 0.41925 0.43134 Eigenvalues --- 0.46377 0.47569 0.48285 0.50354 0.51878 Eigenvalues --- 0.53122 0.55249 0.59479 0.60259 0.65709 Eigenvalues --- 0.67953 0.71132 0.74304 0.76053 0.86046 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 20 19 18 17 16 15 14 13 12 11 RFO step: Lambda=-6.04129727D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.04876 0.76698 -0.31172 -0.61983 -0.60303 RFO-DIIS coefs: 1.05542 -0.09305 -0.09897 -0.19737 0.05283 Iteration 1 RMS(Cart)= 0.01698020 RMS(Int)= 0.00021324 Iteration 2 RMS(Cart)= 0.00025060 RMS(Int)= 0.00006400 Iteration 3 RMS(Cart)= 0.00000007 RMS(Int)= 0.00006400 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87500 -0.00002 0.00045 -0.00037 0.00008 2.87508 R2 2.64595 0.00014 -0.00033 0.00036 0.00003 2.64598 R3 2.73103 -0.00004 -0.00014 -0.00009 -0.00023 2.73079 R4 2.04260 0.00002 0.00033 -0.00017 0.00016 2.04276 R5 2.05431 0.00002 -0.00001 -0.00003 -0.00004 2.05427 R6 2.04892 0.00001 -0.00009 0.00008 -0.00001 2.04891 R7 2.03949 0.00006 -0.00019 0.00017 -0.00002 2.03947 R8 1.79043 0.00000 0.00035 -0.00028 0.00008 1.79051 R9 2.60589 -0.00016 -0.00020 0.00035 0.00015 2.60605 R10 2.39966 -0.00011 -0.00042 -0.00034 -0.00076 2.39890 R11 2.63951 -0.00025 -0.00043 -0.00009 -0.00052 2.63899 R12 2.51646 0.00014 -0.00017 -0.00009 -0.00026 2.51620 R13 2.61955 -0.00006 0.00004 -0.00028 -0.00024 2.61931 R14 2.61442 0.00010 -0.00053 0.00036 -0.00017 2.61425 R15 2.43910 -0.00021 0.00095 -0.00079 0.00016 2.43926 R16 2.60579 0.00017 -0.00136 0.00120 -0.00017 2.60563 R17 2.59283 -0.00004 0.00129 -0.00095 0.00034 2.59318 R18 2.59268 -0.00021 0.00183 -0.00134 0.00049 2.59317 R19 2.48817 0.00001 -0.00033 0.00017 -0.00016 2.48801 R20 2.49542 -0.00019 0.00233 -0.00170 0.00063 2.49605 R21 2.48951 0.00010 -0.00061 0.00062 0.00001 2.48953 R22 2.03200 -0.00001 -0.00003 -0.00001 -0.00004 2.03196 R23 2.40781 0.00004 -0.00019 0.00008 -0.00011 2.40771 R24 2.52665 0.00003 0.00101 -0.00062 0.00038 2.52703 R25 2.03869 -0.00002 0.00012 -0.00007 0.00004 2.03874 R26 2.03700 0.00007 -0.00005 0.00027 0.00022 2.03722 R27 2.54254 -0.00038 0.00117 -0.00053 0.00065 2.54319 R28 2.73678 -0.00018 0.00003 -0.00050 -0.00047 2.73631 R29 2.72743 -0.00010 0.00014 -0.00025 -0.00010 2.72733 R30 2.04761 -0.00001 0.00028 -0.00005 0.00024 2.04784 R31 2.03701 -0.00010 -0.00017 -0.00023 -0.00040 2.03661 R32 2.05411 0.00014 0.00021 0.00022 0.00043 2.05454 R33 2.04955 -0.00003 0.00006 -0.00018 -0.00012 2.04944 R34 2.05551 0.00004 0.00026 -0.00003 0.00023 2.05574 R35 2.04444 0.00003 0.00007 -0.00004 0.00003 2.04447 R36 2.73173 0.00023 -0.00083 0.00062 -0.00021 2.73152 R37 2.73827 -0.00002 0.00033 -0.00057 -0.00024 2.73804 R38 2.04872 -0.00003 -0.00000 -0.00006 -0.00006 2.04866 R39 2.05346 0.00001 0.00049 -0.00029 0.00021 2.05366 R40 2.04359 0.00001 0.00012 -0.00005 0.00007 2.04367 R41 2.04613 -0.00006 0.00025 -0.00017 0.00008 2.04621 R42 2.03793 -0.00005 -0.00011 -0.00015 -0.00026 2.03767 R43 2.05210 0.00012 0.00006 0.00023 0.00029 2.05240 A1 1.95805 0.00004 -0.00102 0.00075 -0.00028 1.95777 A2 1.97793 -0.00017 0.00328 -0.00263 0.00064 1.97857 A3 1.90861 0.00005 -0.00234 0.00204 -0.00030 1.90831 A4 1.87604 0.00002 0.00055 -0.00095 -0.00040 1.87564 A5 1.91842 0.00001 -0.00030 0.00061 0.00030 1.91872 A6 1.81942 0.00005 -0.00009 0.00015 0.00006 1.81948 A7 1.90842 0.00006 -0.00157 0.00103 -0.00055 1.90788 A8 1.92393 -0.00004 0.00071 -0.00049 0.00023 1.92415 A9 1.93452 -0.00001 0.00043 -0.00016 0.00026 1.93479 A10 1.88316 -0.00000 -0.00016 0.00007 -0.00009 1.88306 A11 1.90259 -0.00003 0.00097 -0.00077 0.00020 1.90279 A12 1.91037 0.00002 -0.00039 0.00033 -0.00006 1.91030 A13 1.90424 0.00001 0.00108 -0.00104 0.00004 1.90427 A14 2.08420 -0.00020 -0.00250 0.00089 -0.00160 2.08260 A15 2.19643 -0.00024 -0.00252 -0.00037 -0.00290 2.19353 A16 2.02980 0.00020 0.00193 0.00028 0.00220 2.03200 A17 2.05597 0.00004 0.00055 0.00012 0.00066 2.05663 A18 2.33606 -0.00008 -0.00026 -0.00019 -0.00046 2.33560 A19 2.03042 0.00004 -0.00050 0.00039 -0.00011 2.03032 A20 1.91637 0.00004 0.00075 -0.00019 0.00056 1.91693 A21 1.83548 0.00001 -0.00064 0.00021 -0.00043 1.83505 A22 1.97758 -0.00002 0.00050 -0.00018 0.00032 1.97790 A23 2.22074 0.00013 -0.00226 0.00136 -0.00090 2.21984 A24 2.08454 -0.00012 0.00180 -0.00121 0.00059 2.08513 A25 2.26482 -0.00014 0.00061 -0.00025 0.00035 2.26517 A26 2.16425 0.00010 -0.00039 0.00033 -0.00008 2.16417 A27 1.84553 0.00004 -0.00000 -0.00011 -0.00012 1.84541 A28 1.84955 -0.00006 -0.00061 0.00027 -0.00033 1.84922 A29 2.20529 -0.00007 0.00085 -0.00092 -0.00008 2.20521 A30 2.22814 0.00013 -0.00025 0.00065 0.00040 2.22853 A31 1.95343 0.00004 -0.00042 0.00049 0.00007 1.95350 A32 2.23646 0.00004 -0.00077 0.00068 -0.00009 2.23637 A33 2.02483 -0.00002 -0.00047 0.00027 -0.00020 2.02463 A34 2.02188 -0.00003 0.00124 -0.00095 0.00029 2.02218 A35 2.08470 -0.00010 0.00029 -0.00075 -0.00045 2.08425 A36 2.03043 0.00016 -0.00181 0.00106 -0.00075 2.02967 A37 2.15152 -0.00000 0.00061 -0.00009 0.00053 2.15205 A38 2.12589 -0.00004 0.00025 -0.00037 -0.00012 2.12577 A39 2.00573 0.00004 -0.00086 0.00046 -0.00039 2.00533 A40 2.15114 -0.00007 -0.00091 0.00015 -0.00076 2.15038 A41 2.14035 0.00008 0.00189 -0.00009 0.00179 2.14214 A42 1.99123 -0.00000 -0.00099 -0.00004 -0.00104 1.99019 A43 2.09855 -0.00013 0.00183 -0.00153 0.00078 2.09933 A44 2.10632 0.00001 -0.00194 0.00032 -0.00119 2.10513 A45 2.04724 0.00012 -0.00444 0.00142 -0.00259 2.04465 A46 1.90199 -0.00012 0.00092 -0.00063 0.00029 1.90228 A47 1.91198 -0.00022 -0.00002 -0.00136 -0.00138 1.91060 A48 1.94407 0.00033 -0.00174 0.00226 0.00051 1.94458 A49 1.91228 0.00008 0.00037 -0.00027 0.00009 1.91237 A50 1.89765 -0.00005 -0.00075 0.00023 -0.00051 1.89714 A51 1.89568 -0.00002 0.00124 -0.00024 0.00100 1.89667 A52 1.92462 -0.00009 -0.00088 -0.00019 -0.00107 1.92355 A53 1.94816 0.00012 -0.00005 0.00052 0.00047 1.94863 A54 1.92100 0.00001 0.00055 -0.00015 0.00040 1.92139 A55 1.88932 -0.00002 -0.00008 0.00002 -0.00006 1.88925 A56 1.88868 0.00002 -0.00023 0.00011 -0.00012 1.88856 A57 1.89059 -0.00005 0.00071 -0.00032 0.00039 1.89098 A58 2.11140 -0.00013 0.00140 -0.00193 -0.00075 2.11065 A59 2.10135 -0.00009 0.00128 -0.00072 0.00036 2.10171 A60 2.05007 0.00020 -0.00387 0.00232 -0.00171 2.04836 A61 1.92472 -0.00009 -0.00117 0.00048 -0.00070 1.92402 A62 1.94330 0.00010 0.00116 -0.00065 0.00051 1.94381 A63 1.92008 0.00007 -0.00005 0.00028 0.00023 1.92031 A64 1.89231 -0.00003 -0.00006 -0.00004 -0.00010 1.89221 A65 1.89050 -0.00001 0.00004 -0.00017 -0.00014 1.89036 A66 1.89171 -0.00006 0.00010 0.00009 0.00019 1.89190 A67 1.90041 -0.00010 0.00051 -0.00066 -0.00015 1.90026 A68 1.91469 -0.00004 0.00029 -0.00084 -0.00054 1.91414 A69 1.94358 0.00020 -0.00059 0.00109 0.00050 1.94408 A70 1.90691 0.00003 -0.00027 0.00040 0.00012 1.90703 A71 1.90080 -0.00003 -0.00026 0.00000 -0.00025 1.90054 A72 1.89714 -0.00006 0.00032 0.00001 0.00033 1.89747 D1 1.09029 0.00004 0.00194 0.00027 0.00220 1.09250 D2 -3.12542 0.00005 0.00121 0.00069 0.00189 -3.12352 D3 -1.00761 0.00004 0.00147 0.00067 0.00214 -1.00547 D4 -3.06430 -0.00003 0.00434 -0.00239 0.00195 -3.06235 D5 -0.99682 -0.00002 0.00361 -0.00197 0.00164 -0.99518 D6 1.12099 -0.00003 0.00388 -0.00199 0.00189 1.12287 D7 -1.04289 -0.00003 0.00467 -0.00246 0.00222 -1.04068 D8 1.02458 -0.00002 0.00395 -0.00204 0.00191 1.02649 D9 -3.14080 -0.00003 0.00421 -0.00205 0.00215 -3.13864 D10 -1.05511 -0.00008 0.00624 -0.00206 0.00418 -1.05093 D11 3.04238 0.00009 0.00236 0.00147 0.00384 3.04621 D12 1.07249 0.00002 0.00233 0.00149 0.00382 1.07632 D13 -1.10197 0.00001 0.00033 0.00118 0.00150 -1.10047 D14 2.20074 0.00002 -0.00136 0.00148 0.00012 2.20085 D15 1.07177 -0.00004 0.00164 -0.00036 0.00129 1.07306 D16 -1.90871 -0.00003 -0.00004 -0.00005 -0.00010 -1.90881 D17 3.10764 0.00001 0.00149 -0.00001 0.00149 3.10913 D18 0.12716 0.00002 -0.00019 0.00030 0.00010 0.12726 D19 -0.55416 0.00002 -0.02330 0.00280 -0.02051 -0.57466 D20 2.63646 0.00004 -0.02191 0.00229 -0.01962 2.61684 D21 -0.03478 0.00011 -0.00239 0.00175 -0.00063 -0.03541 D22 3.14153 -0.00009 -0.00162 0.00123 -0.00039 3.14114 D23 0.02131 0.00002 0.00050 0.00003 0.00054 0.02185 D24 -3.08924 -0.00000 0.00149 -0.00066 0.00084 -3.08839 D25 3.11322 0.00000 -0.00087 0.00054 -0.00032 3.11290 D26 0.00267 -0.00002 0.00012 -0.00014 -0.00002 0.00266 D27 3.10486 -0.00002 -0.00129 0.00014 -0.00113 3.10373 D28 0.00819 0.00001 0.00011 -0.00031 -0.00020 0.00798 D29 -3.11796 -0.00002 0.00108 -0.00052 0.00056 -3.11740 D30 -0.00593 0.00000 0.00012 0.00014 0.00026 -0.00567 D31 3.11032 -0.00000 -0.00104 0.00049 -0.00055 3.10976 D32 -0.01078 0.00001 -0.00055 0.00055 0.00000 -0.01077 D33 -0.00748 -0.00002 -0.00027 -0.00003 -0.00030 -0.00778 D34 -3.12858 -0.00001 0.00022 0.00003 0.00025 -3.12832 D35 0.01765 0.00001 0.00010 -0.00022 -0.00011 0.01754 D36 3.13138 0.00001 0.00178 -0.00158 0.00020 3.13158 D37 -3.02561 -0.00002 -0.00169 0.00043 -0.00126 -3.02688 D38 -0.02263 -0.00002 -0.00028 0.00020 -0.00008 -0.02271 D39 0.14145 -0.00002 -0.00315 0.00163 -0.00152 0.13993 D40 -3.13875 -0.00002 -0.00173 0.00140 -0.00033 -3.13909 D41 0.38487 -0.00001 0.00202 0.00091 0.00293 0.38780 D42 -2.78610 -0.00001 0.00376 -0.00051 0.00325 -2.78286 D43 3.03022 -0.00000 0.00173 -0.00036 0.00136 3.03158 D44 -0.13223 -0.00002 0.00125 -0.00045 0.00079 -0.13144 D45 0.01709 0.00002 0.00032 -0.00010 0.00022 0.01731 D46 3.13783 0.00001 -0.00016 -0.00018 -0.00035 3.13748 D47 0.00656 0.00001 0.00065 -0.00044 0.00022 0.00677 D48 -3.11014 0.00003 0.00124 -0.00035 0.00090 -3.10924 D49 0.00623 -0.00002 -0.00040 -0.00008 -0.00048 0.00574 D50 -3.14065 0.00001 0.00074 -0.00056 0.00017 -3.14047 D51 -0.01386 0.00001 0.00005 0.00045 0.00050 -0.01336 D52 3.13301 -0.00002 -0.00108 0.00093 -0.00015 3.13285 D53 -3.05014 -0.00007 -0.00119 0.00202 0.00083 -3.04931 D54 0.08156 0.00007 -0.00056 0.00247 0.00192 0.08348 D55 -2.95212 0.00015 0.00955 -0.00017 0.00947 -2.94265 D56 -0.03143 0.00008 -0.00001 -0.00161 -0.00173 -0.03316 D57 0.19874 0.00001 0.00894 -0.00059 0.00846 0.20720 D58 3.11943 -0.00006 -0.00062 -0.00203 -0.00275 3.11668 D59 -0.09892 0.00011 -0.00424 -0.00020 -0.00441 -0.10333 D60 -2.96812 0.00011 0.00991 -0.00133 0.00855 -2.95957 D61 3.07447 -0.00008 -0.00354 -0.00068 -0.00419 3.07028 D62 0.20527 -0.00008 0.01061 -0.00181 0.00877 0.21404 D63 2.69956 -0.00014 -0.02385 -0.00211 -0.02597 2.67359 D64 0.60761 -0.00003 -0.02484 -0.00058 -0.02544 0.58217 D65 -1.49005 -0.00007 -0.02526 -0.00082 -0.02610 -1.51615 D66 -0.70543 -0.00016 -0.03715 -0.00117 -0.03830 -0.74374 D67 -2.79739 -0.00005 -0.03814 0.00036 -0.03777 -2.83516 D68 1.38814 -0.00009 -0.03856 0.00012 -0.03843 1.34971 D69 -2.38098 -0.00004 -0.01759 0.00075 -0.01691 -2.39788 D70 1.80144 -0.00004 -0.01686 0.00051 -0.01641 1.78502 D71 -0.29850 -0.00006 -0.01808 0.00067 -0.01748 -0.31598 D72 1.02525 -0.00000 -0.00501 0.00010 -0.00484 1.02041 D73 -1.07552 0.00000 -0.00428 -0.00014 -0.00435 -1.07987 D74 3.10773 -0.00002 -0.00550 0.00001 -0.00542 3.10231 D75 -2.31820 -0.00009 -0.01296 -0.00181 -0.01475 -2.33294 D76 1.86358 -0.00007 -0.01286 -0.00166 -0.01449 1.84909 D77 -0.23398 -0.00011 -0.01371 -0.00154 -0.01521 -0.24920 D78 1.03803 0.00001 -0.00404 -0.00006 -0.00412 1.03390 D79 -1.06338 0.00003 -0.00394 0.00009 -0.00387 -1.06725 D80 3.12224 -0.00001 -0.00479 0.00022 -0.00459 3.11765 D81 2.74759 0.00002 -0.01125 0.00024 -0.01107 2.73652 D82 0.66152 0.00007 -0.01140 0.00066 -0.01080 0.65072 D83 -1.43945 0.00003 -0.01161 0.00050 -0.01117 -1.45062 D84 -0.60734 -0.00009 -0.02017 -0.00166 -0.02177 -0.62911 D85 -2.69341 -0.00004 -0.02032 -0.00124 -0.02150 -2.71491 D86 1.48881 -0.00007 -0.02053 -0.00140 -0.02188 1.46693 Item Value Threshold Converged? Maximum Force 0.000378 0.000450 YES RMS Force 0.000089 0.000300 YES Maximum Displacement 0.118619 0.001800 NO RMS Displacement 0.016976 0.001200 NO Predicted change in Energy=-2.186882D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.960546 -4.937348 2.053031 2 6 0 7.188648 -5.233564 3.527807 3 8 0 6.837940 -6.106301 1.292072 4 7 0 2.994778 -0.798727 0.106012 5 6 0 4.229907 -1.383345 0.291710 6 6 0 4.469693 -2.585796 0.960150 7 7 0 3.652983 -3.519432 1.578632 8 6 0 4.457668 -4.412894 2.048073 9 7 0 5.785787 -4.133180 1.805053 10 6 0 5.794632 -2.961853 1.090227 11 7 0 6.840786 -2.303570 0.636738 12 6 0 6.492667 -1.188413 0.020386 13 7 0 5.281131 -0.704952 -0.163974 14 1 0 7.777736 -4.337371 1.677860 15 1 0 8.126715 -5.770057 3.645866 16 1 0 7.260766 -4.308936 4.089436 17 7 0 4.123769 -5.539485 2.756857 18 1 0 6.386666 -5.835169 3.927384 19 1 0 7.634712 -6.612898 1.371231 20 6 0 2.931784 -5.965271 2.611181 21 1 0 7.298682 -0.598523 -0.377823 22 6 0 1.972472 -1.537532 -0.037336 23 1 0 2.019838 -2.614419 -0.053564 24 7 0 0.735515 -1.040547 -0.222036 25 6 0 0.501573 0.385915 -0.137397 26 6 0 -0.420224 -1.902487 -0.156652 27 1 0 -0.358557 0.638968 -0.746070 28 1 0 1.368248 0.914186 -0.499754 29 1 0 0.307566 0.696333 0.886342 30 1 0 -1.113047 -1.661475 -0.955451 31 1 0 -0.944195 -1.799984 0.791169 32 1 0 -0.120066 -2.935724 -0.269803 33 7 0 2.426599 -6.987274 3.310133 34 1 0 2.248326 -5.512968 1.909590 35 6 0 1.163877 -7.586874 2.942225 36 6 0 3.250366 -7.701990 4.264031 37 1 0 0.541770 -7.719477 3.820111 38 1 0 1.307629 -8.556810 2.473623 39 1 0 0.638398 -6.946453 2.247034 40 1 0 2.607808 -8.181028 4.992123 41 1 0 3.905350 -7.009711 4.768460 42 1 0 3.854756 -8.460568 3.775315 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521427 0.000000 3 O 1.400193 2.425526 0.000000 4 N 6.053626 6.997500 6.659352 0.000000 5 C 4.815556 5.835295 5.487155 1.379060 0.000000 6 C 3.595627 4.582167 4.255903 2.469523 1.396495 7 N 3.629809 4.386167 4.113145 3.162922 2.559663 8 C 2.557239 3.212688 3.017425 4.355899 3.509252 9 N 1.445074 2.479264 2.294205 4.668517 3.503222 10 C 2.487755 3.611890 3.319154 3.672462 2.361712 11 N 2.992827 4.130878 3.858786 4.163892 2.789722 12 C 4.290113 5.399041 5.091367 3.520570 2.287291 13 N 5.064456 6.146234 5.806745 2.304147 1.331516 14 H 1.080983 2.138339 2.039892 6.153811 4.820245 15 H 2.142540 1.087075 2.704504 7.973799 6.758603 16 H 2.152203 1.084235 3.351797 6.810865 5.671676 17 N 2.984166 3.175128 3.135857 5.547647 4.833396 18 H 2.156066 1.079242 2.687383 7.174506 6.139094 19 H 1.930497 2.598530 0.947498 7.545486 6.332953 20 C 4.195126 4.415483 4.125287 5.742214 5.297086 21 H 4.984856 6.062150 5.773773 4.335639 3.237529 22 C 6.388213 7.319795 6.805421 1.269445 2.286495 23 H 5.851866 6.811955 6.100662 2.067053 2.553265 24 N 7.688432 8.560703 8.074278 2.295727 3.548552 25 C 8.651788 9.472552 9.183779 2.771046 4.149083 26 C 8.280630 9.086597 8.511862 3.598544 4.700452 27 H 9.617668 10.474396 10.071854 3.746715 5.120620 28 H 8.487106 9.375134 9.078293 2.438570 3.754219 29 H 8.795548 9.459932 9.438550 3.172575 4.479220 30 H 9.217657 10.088486 9.382218 4.329580 5.493626 31 H 8.597690 9.242391 8.908248 4.121585 5.214823 32 H 7.716030 8.550977 7.804220 3.796083 4.652681 33 N 5.132171 5.079369 4.930376 6.991948 6.615649 34 H 4.749414 5.206100 4.668825 5.102367 4.857775 35 C 6.435218 6.494524 6.091805 7.581243 7.410098 36 C 5.128080 4.705871 4.924373 8.062846 7.527557 37 H 7.215504 7.102548 6.973885 8.228521 8.136249 38 H 6.725539 6.836787 6.163230 8.284921 8.047301 39 H 6.636542 6.890584 6.328675 6.923224 6.904375 40 H 6.173010 5.640554 5.990733 8.861275 8.422208 41 H 4.582845 3.933695 4.636971 7.819456 7.197404 42 H 5.002526 4.646466 4.539653 8.538569 7.897045 6 7 8 9 10 6 C 0.000000 7 N 1.386078 0.000000 8 C 2.126501 1.290802 0.000000 9 N 2.200082 2.230876 1.378839 0.000000 10 C 1.383402 2.266295 2.193276 1.372246 0.000000 11 N 2.409632 3.539431 3.481431 2.413598 1.316597 12 C 2.632159 3.990688 4.318566 3.515163 2.185613 13 N 2.336591 3.689015 4.395460 3.985535 2.632547 14 H 3.811334 4.206240 3.341498 2.006422 2.483960 15 H 5.543139 5.417846 4.225723 3.398221 4.455997 16 H 4.533401 4.465821 3.469197 2.724859 3.599921 17 N 3.474492 2.385470 1.372251 2.376117 3.494800 18 H 4.799759 4.283958 3.045605 2.786056 4.081164 19 H 5.138471 5.046456 3.923231 3.123416 4.098168 20 C 4.063486 2.751075 2.248397 3.485934 4.419244 21 H 3.707102 5.064637 5.339078 4.421267 3.162699 22 C 2.886166 3.059967 4.335071 4.967208 4.231902 23 H 2.651457 2.479974 3.687059 4.465810 3.959550 24 N 4.210635 4.230708 5.511854 6.259290 5.568493 25 C 5.077564 5.303572 6.592082 7.219297 6.382092 26 C 5.062158 4.713463 5.912426 6.880323 6.426616 27 H 6.051636 6.228080 7.518283 8.187466 7.362041 28 H 4.898996 5.403394 6.664362 7.092439 6.094637 29 H 5.301050 5.426210 6.684098 7.360648 6.597863 30 H 5.974185 5.708644 6.901038 7.830939 7.320643 31 H 5.473229 4.970980 6.130843 7.194750 6.844791 32 H 4.764569 4.241854 5.339497 6.373227 6.069103 33 N 5.391628 4.065469 3.513612 4.657817 5.698740 34 H 3.795292 2.461052 2.471949 3.798470 4.444752 35 C 6.314097 4.959750 4.660764 5.880750 6.801809 36 C 6.211105 4.986708 4.145624 5.021089 6.246216 37 H 7.068425 5.687201 5.422902 6.664961 7.594722 38 H 6.924035 5.628221 5.222632 6.330039 7.304144 39 H 5.945605 4.612912 4.587519 5.882641 6.618307 40 H 7.143531 5.871524 5.127207 6.053267 7.253993 41 H 5.864531 4.735054 3.801187 4.537869 5.786530 42 H 6.543412 5.411188 4.441906 5.131968 6.419398 11 12 13 14 15 11 N 0.000000 12 C 1.320853 0.000000 13 N 2.372603 1.317400 0.000000 14 H 2.469444 3.783458 4.777013 0.000000 15 H 4.767074 6.066769 6.947482 2.459151 0.000000 16 H 4.014847 5.185056 5.916007 2.466529 1.755419 17 N 4.727392 5.659663 5.765713 3.995095 4.106955 18 H 4.848377 6.071920 6.654362 3.039544 1.763877 19 H 4.442984 5.705619 6.542172 2.300544 2.475159 20 C 5.708483 6.496959 6.394675 5.196575 5.300565 21 H 2.036219 1.075267 2.031643 4.293519 6.604580 22 C 4.974100 4.534025 3.414154 6.669489 8.327962 23 H 4.880029 4.695227 3.780778 6.254580 7.806265 24 N 6.293413 5.764151 4.558356 8.004468 9.589513 25 C 6.929519 6.196500 4.902537 8.862682 10.504850 26 C 7.315230 6.951928 5.825769 8.746464 10.122618 27 H 7.899445 7.132044 5.826752 9.840663 11.504980 28 H 6.449360 5.563375 4.247942 8.567519 10.370253 29 H 7.193378 6.523621 5.272865 9.042572 10.515145 30 H 8.137002 7.682638 6.513592 9.650946 11.109715 31 H 7.802780 7.501669 6.392657 9.126698 10.304959 32 H 7.048041 6.845841 5.844695 8.254288 9.559043 33 N 6.969158 7.809106 7.725628 6.190393 5.838292 34 H 5.745526 6.347070 6.050998 5.657747 6.134835 35 C 8.090480 8.824594 8.600063 7.476698 7.230287 36 C 7.429085 8.423047 8.525829 6.205322 5.281408 37 H 8.896264 9.617998 9.356176 8.269648 7.833389 38 H 8.549443 9.337895 9.186800 7.765255 7.459228 39 H 7.913218 8.507964 8.143970 7.622428 7.708147 40 H 8.451745 9.418437 9.466979 7.244735 6.171184 41 H 6.916333 7.945183 8.122293 5.629261 4.540581 42 H 7.528324 8.598971 8.814880 6.065463 5.050271 16 17 18 19 20 16 H 0.000000 17 N 3.623641 0.000000 18 H 1.766267 2.564813 0.000000 19 H 3.582836 3.924143 2.948966 0.000000 20 C 4.865056 1.274104 3.699395 4.906570 0.000000 21 H 5.807323 6.657282 6.840251 6.272544 7.536971 22 C 7.257891 5.333969 7.326240 7.733329 5.247838 23 H 6.892254 4.569573 6.729811 7.038799 4.377296 24 N 8.476441 6.371382 8.493620 9.010467 6.091274 25 C 9.251726 7.523788 9.479380 10.106484 7.334724 26 C 9.100432 6.508775 8.858842 9.455390 5.950048 27 H 10.291645 8.398514 10.452448 10.998404 8.106384 28 H 9.113915 7.736167 9.504623 9.971267 7.710350 29 H 9.146558 7.546367 9.426766 10.360842 7.364683 30 H 10.128212 7.499628 9.874588 10.317622 6.899578 31 H 9.192105 6.597883 8.936447 9.853845 5.973715 32 H 8.681322 5.826695 8.268054 8.737917 5.176100 33 N 5.581217 2.298389 4.170189 5.569914 1.337249 34 H 5.596961 2.058118 4.615318 5.523842 1.078853 35 C 7.016625 3.603765 5.596118 6.729663 2.421711 36 C 5.256102 2.776839 3.665342 5.364412 2.418595 37 H 7.539843 4.325920 6.142063 7.584943 3.201705 38 H 7.489668 4.137042 5.942842 6.710146 3.061516 39 H 7.362520 3.793057 6.091068 7.058803 2.520901 40 H 6.120290 3.777870 4.573455 6.390591 3.268551 41 H 4.360513 2.501163 2.871217 5.060313 2.586994 42 H 5.379184 3.105213 3.650536 4.845779 2.904065 21 22 23 24 25 21 H 0.000000 22 C 5.419057 0.000000 23 H 5.659962 1.078050 0.000000 24 N 6.579879 1.345797 2.038367 0.000000 25 C 6.872235 2.423470 3.363653 1.447995 0.000000 26 C 7.831394 2.423308 2.543890 1.443242 2.467157 27 H 7.765327 3.266979 4.089114 2.071806 1.083671 28 H 6.121536 2.567068 3.615897 2.073273 1.077728 29 H 7.221528 2.935174 3.844006 2.104375 1.087216 30 H 8.498276 3.221603 3.396538 2.083418 2.732768 31 H 8.411603 3.043394 3.187847 2.103509 2.780402 32 H 7.778945 2.527389 2.174669 2.079902 3.381901 33 N 8.840495 6.411823 5.531887 7.120361 8.363917 34 H 7.408786 4.435167 3.508242 5.180248 6.483681 35 C 9.873986 6.791624 5.867941 7.283573 8.572520 36 C 9.401857 7.624652 6.785219 8.415705 9.609508 37 H 10.676446 7.425851 6.576600 7.809263 9.020026 38 H 10.361361 7.484464 6.496609 8.005504 9.350908 39 H 9.567939 6.021173 5.095846 6.401988 7.711540 40 H 10.408410 8.356743 7.536034 9.037665 10.204936 41 H 8.893945 7.535014 6.791588 8.401417 9.505179 42 H 9.535247 8.124514 7.225282 8.986945 10.237842 26 27 28 29 30 26 C 0.000000 27 H 2.609638 0.000000 28 H 3.354101 1.765863 0.000000 29 H 2.893334 1.764024 1.758911 0.000000 30 H 1.084514 2.430048 3.605345 3.312039 0.000000 31 H 1.087849 2.941864 3.792175 2.794201 1.760220 32 H 1.081886 3.614157 4.133976 3.835542 1.754945 33 N 6.780712 9.075762 8.835633 8.330839 7.686900 34 H 4.942275 7.189902 6.920100 6.585515 5.860143 35 C 6.665183 9.142528 9.173713 8.577380 7.448934 36 C 8.163939 10.377717 10.023697 9.518439 9.097812 37 H 7.111782 9.566829 9.689398 8.915588 7.889474 38 H 7.360967 9.884581 9.926954 9.441411 8.072413 39 H 5.686825 8.215303 8.358658 7.770013 6.422963 40 H 8.665964 10.932453 10.696735 10.047691 9.577211 41 H 8.309696 10.348587 9.847797 9.348690 9.303284 42 H 8.760379 10.999840 10.599290 10.236091 9.658513 31 32 33 34 35 31 H 0.000000 32 H 1.759192 0.000000 33 N 6.679477 5.976328 0.000000 34 H 5.022878 4.123253 2.041294 0.000000 35 C 6.523734 5.796450 1.445456 2.558018 0.000000 36 C 8.030491 7.391397 1.448907 3.367387 2.472621 37 H 6.813442 6.328485 2.085373 3.380992 1.084105 38 H 7.318201 6.415708 2.101258 3.235432 1.086751 39 H 5.577660 4.795381 2.080747 2.181884 1.081462 40 H 8.425109 7.914694 2.070502 4.092650 2.576827 41 H 8.153416 7.627938 2.077000 3.627549 3.344238 42 H 8.734898 7.917455 2.103954 3.840559 2.949273 36 37 38 39 40 36 C 0.000000 37 H 2.744788 0.000000 38 H 2.776780 1.760879 0.000000 39 H 3.385482 1.755413 1.758540 0.000000 40 H 1.082809 2.419743 2.859112 3.596980 0.000000 41 H 1.078287 3.566063 3.795781 4.127296 1.762278 42 H 1.086081 3.395158 2.862084 3.869515 1.764552 41 42 41 H 0.000000 42 H 1.758944 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487548 -2.268838 0.150345 2 6 0 3.474922 -2.135080 -0.999412 3 8 0 3.041803 -1.868205 1.372161 4 7 0 -3.254468 -0.386051 -0.211240 5 6 0 -2.222342 -1.288695 -0.063741 6 6 0 -0.860898 -0.977919 -0.073186 7 7 0 -0.147122 0.204031 -0.194540 8 6 0 1.094577 -0.147011 -0.161022 9 7 0 1.273883 -1.509228 -0.045221 10 6 0 0.012915 -2.045784 0.026396 11 7 0 -0.316263 -3.315518 0.139724 12 6 0 -1.625904 -3.487244 0.142021 13 7 0 -2.566754 -2.570535 0.042085 14 1 0 2.151896 -3.294259 0.216481 15 1 0 4.323081 -2.791821 -0.823199 16 1 0 3.008862 -2.435608 -1.931097 17 7 0 2.191065 0.672461 -0.257212 18 1 0 3.828696 -1.119137 -1.085831 19 1 0 3.793799 -2.411544 1.564616 20 6 0 2.008124 1.897390 0.041826 21 1 0 -1.968061 -4.502560 0.232916 22 6 0 -3.118393 0.792992 0.239128 23 1 0 -2.239163 1.125635 0.766855 24 7 0 -4.080130 1.728320 0.132385 25 6 0 -5.282707 1.455777 -0.626704 26 6 0 -3.802924 3.107632 0.454260 27 1 0 -6.091898 2.060643 -0.234669 28 1 0 -5.535676 0.412056 -0.536417 29 1 0 -5.149598 1.691837 -1.679603 30 1 0 -4.622836 3.531595 1.023620 31 1 0 -3.663797 3.708675 -0.441735 32 1 0 -2.904521 3.176129 1.053140 33 7 0 2.949650 2.836352 -0.100001 34 1 0 1.065018 2.254175 0.425466 35 6 0 2.779973 4.151517 0.475232 36 6 0 4.271546 2.483592 -0.576952 37 1 0 3.039375 4.914383 -0.250046 38 1 0 3.407698 4.284122 1.352390 39 1 0 1.749169 4.297519 0.767954 40 1 0 4.735260 3.362861 -1.006291 41 1 0 4.192605 1.718232 -1.332396 42 1 0 4.898013 2.113930 0.229560 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3206624 0.1994738 0.1279736 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.4189631754 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.93D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000211 0.000095 -0.000123 Ang= -0.03 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37960643 A.U. after 11 cycles NFock= 11 Conv=0.48D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000199912 0.000004395 -0.000022466 2 6 -0.000078313 0.000125368 -0.000080971 3 8 0.000019128 -0.000133991 -0.000068408 4 7 0.000123194 -0.000135761 0.000042073 5 6 -0.000166551 -0.000290511 0.000047716 6 6 -0.000237729 0.000287775 -0.000130193 7 7 0.000396411 -0.000107786 0.000034565 8 6 -0.000717245 -0.000014019 0.000072936 9 7 0.000234276 0.000521609 -0.000088892 10 6 0.000215212 -0.000525604 0.000318591 11 7 -0.000158789 0.000518669 -0.000283728 12 6 0.000221143 -0.000565318 0.000269865 13 7 0.000012129 0.000257602 -0.000029996 14 1 -0.000057299 0.000004116 -0.000024711 15 1 0.000000637 -0.000059595 0.000079200 16 1 0.000001164 0.000023559 -0.000023455 17 7 0.000174909 0.000132581 -0.000269801 18 1 -0.000064497 -0.000052782 0.000010256 19 1 -0.000045320 0.000000590 -0.000003724 20 6 -0.000032730 -0.000161901 -0.000035467 21 1 -0.000021899 0.000017728 -0.000000418 22 6 -0.000228991 0.000290109 -0.000274906 23 1 0.000035000 -0.000070769 0.000110489 24 7 -0.000039493 -0.000003215 0.000065205 25 6 0.000140073 -0.000102454 -0.000044177 26 6 0.000130538 0.000016786 0.000054936 27 1 0.000034772 -0.000001552 -0.000056674 28 1 -0.000007885 -0.000046104 0.000068667 29 1 -0.000068417 0.000093648 0.000033752 30 1 0.000009684 0.000029150 0.000032332 31 1 -0.000028673 -0.000061890 0.000001094 32 1 -0.000004758 -0.000044934 -0.000006374 33 7 0.000030928 0.000078428 0.000598126 34 1 0.000056163 0.000015308 0.000023570 35 6 -0.000169742 -0.000057323 -0.000334885 36 6 0.000061399 0.000119744 -0.000048180 37 1 0.000055206 -0.000026781 -0.000015434 38 1 -0.000056011 0.000020722 -0.000023731 39 1 -0.000053462 -0.000012574 0.000022296 40 1 0.000013298 0.000021270 -0.000025395 41 1 -0.000002445 -0.000034501 -0.000023146 42 1 0.000075073 -0.000069791 0.000029464 ------------------------------------------------------------------- Cartesian Forces: Max 0.000717245 RMS 0.000173377 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000486803 RMS 0.000100210 Search for a local minimum. Step number 21 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 DE= -1.96D-05 DEPred=-2.19D-05 R= 8.94D-01 TightC=F SS= 1.41D+00 RLast= 1.06D-01 DXNew= 2.8153D+00 3.1657D-01 Trust test= 8.94D-01 RLast= 1.06D-01 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 ITU= 0 Eigenvalues --- 0.00090 0.00179 0.00245 0.00417 0.00620 Eigenvalues --- 0.00900 0.01196 0.01245 0.01328 0.01512 Eigenvalues --- 0.01541 0.02056 0.02110 0.02148 0.02243 Eigenvalues --- 0.02320 0.02538 0.02581 0.02602 0.02646 Eigenvalues --- 0.02818 0.03083 0.03289 0.03353 0.03498 Eigenvalues --- 0.04450 0.05419 0.05522 0.05710 0.06076 Eigenvalues --- 0.06651 0.07399 0.07499 0.07578 0.07613 Eigenvalues --- 0.07659 0.07807 0.07884 0.07990 0.08419 Eigenvalues --- 0.15555 0.15848 0.15919 0.15967 0.15983 Eigenvalues --- 0.15992 0.15999 0.16000 0.16002 0.16005 Eigenvalues --- 0.16011 0.16020 0.16034 0.16093 0.16170 Eigenvalues --- 0.16283 0.16530 0.17003 0.17917 0.18560 Eigenvalues --- 0.20923 0.22282 0.22289 0.22921 0.23626 Eigenvalues --- 0.24057 0.24278 0.24370 0.24622 0.24921 Eigenvalues --- 0.24986 0.25389 0.25832 0.26439 0.27530 Eigenvalues --- 0.28080 0.32817 0.32954 0.32991 0.33223 Eigenvalues --- 0.33345 0.33416 0.33536 0.33565 0.33621 Eigenvalues --- 0.33638 0.33674 0.33687 0.33757 0.33773 Eigenvalues --- 0.33844 0.33870 0.34717 0.36048 0.37494 Eigenvalues --- 0.38282 0.39191 0.39793 0.39961 0.40142 Eigenvalues --- 0.40403 0.40724 0.41469 0.41984 0.43211 Eigenvalues --- 0.45840 0.47563 0.48704 0.50402 0.52433 Eigenvalues --- 0.53085 0.54858 0.59528 0.60227 0.65734 Eigenvalues --- 0.69509 0.71700 0.74307 0.76057 0.86165 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 19 18 17 16 15 14 13 12 RFO step: Lambda=-1.67294372D-05. DidBck=F Rises=F RFO-DIIS coefs: 0.97577 -0.02104 0.54781 -0.29689 -0.33781 RFO-DIIS coefs: -0.28361 0.74090 -0.17207 -0.04678 -0.10627 Iteration 1 RMS(Cart)= 0.00469409 RMS(Int)= 0.00005574 Iteration 2 RMS(Cart)= 0.00001974 RMS(Int)= 0.00005269 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005269 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87508 -0.00004 0.00022 -0.00025 -0.00002 2.87506 R2 2.64598 0.00015 -0.00029 0.00037 0.00008 2.64606 R3 2.73079 0.00001 0.00001 -0.00002 -0.00000 2.73079 R4 2.04276 -0.00003 0.00012 -0.00008 0.00003 2.04279 R5 2.05427 0.00004 -0.00002 0.00001 -0.00001 2.05426 R6 2.04891 0.00001 -0.00010 0.00009 -0.00001 2.04890 R7 2.03947 0.00008 -0.00014 0.00016 0.00002 2.03950 R8 1.79051 -0.00004 0.00027 -0.00028 -0.00001 1.79050 R9 2.60605 -0.00010 -0.00045 0.00041 -0.00004 2.60601 R10 2.39890 -0.00003 0.00014 -0.00023 -0.00009 2.39881 R11 2.63899 -0.00022 -0.00037 0.00013 -0.00024 2.63876 R12 2.51620 0.00013 0.00049 -0.00030 0.00020 2.51640 R13 2.61931 -0.00004 0.00018 -0.00024 -0.00007 2.61924 R14 2.61425 0.00018 -0.00008 0.00022 0.00014 2.61439 R15 2.43926 -0.00030 0.00064 -0.00070 -0.00006 2.43920 R16 2.60563 0.00024 -0.00091 0.00104 0.00013 2.60576 R17 2.59318 -0.00011 0.00089 -0.00086 0.00003 2.59321 R18 2.59317 -0.00040 0.00126 -0.00127 -0.00001 2.59316 R19 2.48801 0.00004 -0.00036 0.00025 -0.00010 2.48790 R20 2.49605 -0.00049 0.00185 -0.00169 0.00017 2.49622 R21 2.48953 0.00013 -0.00064 0.00054 -0.00010 2.48943 R22 2.03196 -0.00001 0.00001 -0.00002 -0.00001 2.03195 R23 2.40771 0.00004 -0.00003 0.00000 -0.00003 2.40768 R24 2.52703 0.00008 0.00058 -0.00038 0.00021 2.52724 R25 2.03874 -0.00004 0.00010 -0.00007 0.00003 2.03877 R26 2.03722 0.00007 -0.00008 0.00020 0.00012 2.03734 R27 2.54319 -0.00022 0.00023 -0.00029 -0.00006 2.54312 R28 2.73631 -0.00007 0.00021 -0.00035 -0.00014 2.73618 R29 2.72733 -0.00005 0.00010 -0.00019 -0.00009 2.72724 R30 2.04784 0.00000 0.00005 0.00002 0.00007 2.04791 R31 2.03661 -0.00005 0.00001 -0.00014 -0.00013 2.03649 R32 2.05454 0.00007 -0.00008 0.00017 0.00009 2.05463 R33 2.04944 -0.00002 -0.00003 -0.00007 -0.00009 2.04934 R34 2.05574 0.00001 0.00011 -0.00005 0.00006 2.05580 R35 2.04447 0.00004 -0.00001 0.00004 0.00003 2.04449 R36 2.73152 0.00032 -0.00025 0.00048 0.00023 2.73174 R37 2.73804 0.00002 0.00036 -0.00044 -0.00007 2.73796 R38 2.04866 -0.00004 -0.00010 -0.00003 -0.00012 2.04854 R39 2.05366 -0.00002 0.00017 -0.00013 0.00004 2.05370 R40 2.04367 0.00000 0.00014 -0.00010 0.00004 2.04371 R41 2.04621 -0.00003 0.00004 -0.00007 -0.00003 2.04618 R42 2.03767 -0.00003 -0.00001 -0.00009 -0.00010 2.03757 R43 2.05240 0.00008 -0.00004 0.00017 0.00013 2.05253 A1 1.95777 0.00008 -0.00066 0.00066 -0.00000 1.95777 A2 1.97857 -0.00031 0.00210 -0.00225 -0.00015 1.97842 A3 1.90831 0.00011 -0.00144 0.00156 0.00012 1.90843 A4 1.87564 0.00010 0.00056 -0.00065 -0.00009 1.87554 A5 1.91872 -0.00005 -0.00049 0.00059 0.00009 1.91881 A6 1.81948 0.00007 -0.00003 0.00007 0.00005 1.81953 A7 1.90788 0.00013 -0.00074 0.00082 0.00008 1.90796 A8 1.92415 -0.00005 0.00031 -0.00033 -0.00002 1.92413 A9 1.93479 -0.00005 0.00009 -0.00013 -0.00004 1.93475 A10 1.88306 -0.00002 -0.00005 0.00004 -0.00001 1.88305 A11 1.90279 -0.00005 0.00056 -0.00060 -0.00004 1.90275 A12 1.91030 0.00003 -0.00017 0.00020 0.00003 1.91033 A13 1.90427 0.00003 0.00061 -0.00067 -0.00005 1.90422 A14 2.08260 0.00003 -0.00145 0.00107 -0.00037 2.08223 A15 2.19353 0.00002 -0.00053 -0.00007 -0.00061 2.19293 A16 2.03200 -0.00001 0.00042 0.00007 0.00048 2.03248 A17 2.05663 -0.00001 0.00011 0.00000 0.00011 2.05674 A18 2.33560 0.00002 -0.00008 -0.00008 -0.00016 2.33544 A19 2.03032 0.00002 -0.00027 0.00035 0.00008 2.03039 A20 1.91693 -0.00004 0.00035 -0.00026 0.00009 1.91702 A21 1.83505 0.00006 -0.00028 0.00022 -0.00005 1.83500 A22 1.97790 -0.00006 0.00023 -0.00017 0.00007 1.97797 A23 2.21984 0.00036 -0.00117 0.00117 -0.00001 2.21983 A24 2.08513 -0.00030 0.00097 -0.00102 -0.00005 2.08508 A25 2.26517 -0.00024 0.00028 -0.00022 0.00005 2.26522 A26 2.16417 0.00017 -0.00032 0.00035 0.00001 2.16418 A27 1.84541 0.00007 0.00014 -0.00016 -0.00003 1.84539 A28 1.84922 -0.00003 -0.00044 0.00037 -0.00007 1.84915 A29 2.20521 -0.00010 0.00070 -0.00081 -0.00011 2.20510 A30 2.22853 0.00013 -0.00026 0.00045 0.00018 2.22872 A31 1.95350 0.00007 -0.00037 0.00039 0.00002 1.95352 A32 2.23637 0.00009 -0.00052 0.00064 0.00012 2.23649 A33 2.02463 -0.00002 -0.00039 0.00029 -0.00010 2.02453 A34 2.02218 -0.00007 0.00091 -0.00093 -0.00002 2.02216 A35 2.08425 -0.00007 0.00035 -0.00056 -0.00021 2.08404 A36 2.02967 0.00036 -0.00078 0.00072 -0.00006 2.02962 A37 2.15205 0.00003 0.00029 -0.00013 0.00016 2.15221 A38 2.12577 -0.00006 0.00024 -0.00036 -0.00012 2.12565 A39 2.00533 0.00003 -0.00052 0.00048 -0.00004 2.00529 A40 2.15038 -0.00010 -0.00034 -0.00000 -0.00035 2.15004 A41 2.14214 0.00010 0.00062 -0.00003 0.00058 2.14273 A42 1.99019 -0.00000 -0.00026 0.00003 -0.00023 1.98996 A43 2.09933 -0.00008 0.00103 -0.00112 0.00029 2.09962 A44 2.10513 -0.00010 -0.00073 0.00006 -0.00032 2.10481 A45 2.04465 0.00019 -0.00177 0.00126 -0.00016 2.04449 A46 1.90228 -0.00003 0.00042 -0.00024 0.00017 1.90245 A47 1.91060 -0.00006 0.00038 -0.00079 -0.00041 1.91020 A48 1.94458 0.00014 -0.00115 0.00136 0.00021 1.94479 A49 1.91237 0.00001 0.00025 -0.00025 0.00000 1.91238 A50 1.89714 -0.00003 -0.00031 0.00015 -0.00016 1.89698 A51 1.89667 -0.00003 0.00043 -0.00025 0.00018 1.89685 A52 1.92355 -0.00004 -0.00050 0.00003 -0.00046 1.92309 A53 1.94863 0.00009 0.00018 0.00017 0.00035 1.94898 A54 1.92139 0.00001 0.00010 0.00004 0.00013 1.92153 A55 1.88925 -0.00002 -0.00003 -0.00003 -0.00006 1.88920 A56 1.88856 0.00001 -0.00016 0.00008 -0.00008 1.88848 A57 1.89098 -0.00005 0.00043 -0.00031 0.00011 1.89110 A58 2.11065 -0.00023 0.00066 -0.00143 -0.00097 2.10968 A59 2.10171 -0.00007 0.00042 -0.00052 -0.00029 2.10141 A60 2.04836 0.00029 -0.00147 0.00168 0.00003 2.04839 A61 1.92402 -0.00006 -0.00046 0.00003 -0.00043 1.92359 A62 1.94381 0.00008 0.00033 -0.00002 0.00031 1.94412 A63 1.92031 0.00007 0.00045 -0.00020 0.00025 1.92056 A64 1.89221 -0.00002 -0.00017 0.00006 -0.00011 1.89210 A65 1.89036 -0.00001 0.00002 -0.00010 -0.00010 1.89026 A66 1.89190 -0.00005 -0.00016 0.00024 0.00008 1.89198 A67 1.90026 -0.00003 0.00025 -0.00029 -0.00004 1.90021 A68 1.91414 -0.00000 0.00042 -0.00058 -0.00016 1.91398 A69 1.94408 0.00011 -0.00038 0.00064 0.00026 1.94434 A70 1.90703 0.00000 -0.00029 0.00030 0.00001 1.90703 A71 1.90054 -0.00003 0.00002 -0.00005 -0.00003 1.90052 A72 1.89747 -0.00005 -0.00002 -0.00001 -0.00004 1.89744 D1 1.09250 0.00002 -0.00021 0.00001 -0.00020 1.09230 D2 -3.12352 0.00005 -0.00054 0.00036 -0.00017 -3.12369 D3 -1.00547 0.00002 -0.00049 0.00031 -0.00018 -1.00564 D4 -3.06235 -0.00002 0.00160 -0.00203 -0.00043 -3.06278 D5 -0.99518 0.00001 0.00127 -0.00168 -0.00041 -0.99560 D6 1.12287 -0.00002 0.00132 -0.00174 -0.00042 1.12246 D7 -1.04068 -0.00005 0.00189 -0.00228 -0.00039 -1.04107 D8 1.02649 -0.00002 0.00156 -0.00192 -0.00037 1.02612 D9 -3.13864 -0.00005 0.00161 -0.00198 -0.00037 -3.13901 D10 -1.05093 -0.00013 0.00258 -0.00153 0.00104 -1.04989 D11 3.04621 0.00014 -0.00005 0.00136 0.00131 3.04752 D12 1.07632 0.00002 -0.00007 0.00132 0.00125 1.07757 D13 -1.10047 0.00002 -0.00146 0.00150 0.00004 -1.10043 D14 2.20085 0.00002 -0.00206 0.00173 -0.00032 2.20053 D15 1.07306 -0.00002 -0.00048 0.00033 -0.00014 1.07292 D16 -1.90881 -0.00002 -0.00107 0.00057 -0.00050 -1.90931 D17 3.10913 0.00001 -0.00081 0.00075 -0.00006 3.10908 D18 0.12726 0.00001 -0.00140 0.00099 -0.00042 0.12685 D19 -0.57466 0.00008 -0.00704 0.00394 -0.00309 -0.57775 D20 2.61684 0.00012 -0.00676 0.00401 -0.00275 2.61409 D21 -0.03541 0.00010 -0.00134 0.00167 0.00033 -0.03508 D22 3.14114 -0.00001 -0.00193 0.00200 0.00007 3.14120 D23 0.02185 0.00003 0.00001 0.00030 0.00032 0.02217 D24 -3.08839 0.00002 0.00035 -0.00021 0.00014 -3.08825 D25 3.11290 -0.00001 -0.00026 0.00024 -0.00002 3.11288 D26 0.00266 -0.00002 0.00008 -0.00028 -0.00020 0.00246 D27 3.10373 -0.00001 -0.00027 0.00003 -0.00023 3.10350 D28 0.00798 0.00002 0.00002 0.00009 0.00011 0.00809 D29 -3.11740 -0.00002 0.00062 -0.00068 -0.00006 -3.11745 D30 -0.00567 -0.00001 0.00029 -0.00018 0.00011 -0.00556 D31 3.10976 0.00002 -0.00054 0.00063 0.00009 3.10986 D32 -0.01077 0.00000 -0.00034 0.00044 0.00010 -0.01067 D33 -0.00778 0.00001 -0.00027 0.00023 -0.00004 -0.00783 D34 -3.12832 -0.00001 -0.00007 0.00004 -0.00003 -3.12835 D35 0.01754 0.00001 -0.00019 0.00004 -0.00015 0.01739 D36 3.13158 -0.00001 0.00124 -0.00103 0.00020 3.13178 D37 -3.02688 -0.00002 -0.00045 0.00027 -0.00019 -3.02707 D38 -0.02271 -0.00001 0.00002 0.00010 0.00012 -0.02259 D39 0.13993 -0.00001 -0.00172 0.00121 -0.00051 0.13943 D40 -3.13909 0.00000 -0.00124 0.00105 -0.00019 -3.13928 D41 0.38780 -0.00003 -0.00293 0.00074 -0.00219 0.38561 D42 -2.78286 -0.00005 -0.00144 -0.00038 -0.00182 -2.78468 D43 3.03158 -0.00003 0.00066 -0.00040 0.00025 3.03183 D44 -0.13144 -0.00002 0.00047 -0.00023 0.00024 -0.13120 D45 0.01731 -0.00000 0.00015 -0.00020 -0.00004 0.01727 D46 3.13748 0.00001 -0.00003 -0.00003 -0.00006 3.13742 D47 0.00677 0.00001 0.00043 -0.00034 0.00009 0.00686 D48 -3.10924 -0.00001 0.00067 -0.00057 0.00010 -3.10913 D49 0.00574 -0.00000 -0.00032 0.00012 -0.00020 0.00555 D50 -3.14047 -0.00001 0.00052 -0.00043 0.00009 -3.14038 D51 -0.01336 -0.00002 0.00012 -0.00002 0.00010 -0.01325 D52 3.13285 -0.00000 -0.00072 0.00053 -0.00018 3.13267 D53 -3.04931 0.00000 -0.00187 0.00281 0.00093 -3.04837 D54 0.08348 0.00002 -0.00105 0.00099 -0.00006 0.08342 D55 -2.94265 0.00004 0.00482 -0.00092 0.00397 -2.93867 D56 -0.03316 0.00002 -0.00004 -0.00213 -0.00223 -0.03539 D57 0.20720 0.00003 0.00405 0.00079 0.00490 0.21210 D58 3.11668 0.00000 -0.00081 -0.00042 -0.00130 3.11539 D59 -0.10333 0.00008 -0.00006 -0.00012 -0.00015 -0.10348 D60 -2.95957 0.00003 0.00181 -0.00113 0.00065 -2.95893 D61 3.07028 -0.00002 -0.00060 0.00018 -0.00039 3.06990 D62 0.21404 -0.00007 0.00127 -0.00083 0.00041 0.21445 D63 2.67359 -0.00008 -0.00603 -0.00192 -0.00796 2.66563 D64 0.58217 -0.00004 -0.00682 -0.00100 -0.00782 0.57435 D65 -1.51615 -0.00005 -0.00686 -0.00104 -0.00791 -1.52406 D66 -0.74374 -0.00008 -0.00765 -0.00112 -0.00876 -0.75250 D67 -2.83516 -0.00003 -0.00843 -0.00020 -0.00862 -2.84378 D68 1.34971 -0.00004 -0.00848 -0.00024 -0.00871 1.34100 D69 -2.39788 -0.00001 -0.00728 0.00075 -0.00659 -2.40448 D70 1.78502 -0.00001 -0.00703 0.00065 -0.00643 1.77859 D71 -0.31598 -0.00002 -0.00774 0.00090 -0.00690 -0.32288 D72 1.02041 -0.00003 -0.00608 0.00014 -0.00589 1.01452 D73 -1.07987 -0.00002 -0.00583 0.00004 -0.00573 -1.08560 D74 3.10231 -0.00003 -0.00654 0.00029 -0.00620 3.09611 D75 -2.33294 -0.00007 -0.01137 -0.00128 -0.01265 -2.34559 D76 1.84909 -0.00005 -0.01106 -0.00137 -0.01242 1.83667 D77 -0.24920 -0.00008 -0.01138 -0.00152 -0.01288 -0.26208 D78 1.03390 -0.00000 -0.00674 0.00016 -0.00659 1.02731 D79 -1.06725 0.00002 -0.00643 0.00008 -0.00636 -1.07361 D80 3.11765 -0.00002 -0.00675 -0.00007 -0.00683 3.11082 D81 2.73652 0.00003 -0.00081 0.00072 -0.00014 2.73638 D82 0.65072 0.00005 -0.00086 0.00088 -0.00003 0.65070 D83 -1.45062 0.00004 -0.00086 0.00087 -0.00004 -1.45066 D84 -0.62911 -0.00006 -0.00546 -0.00085 -0.00626 -0.63537 D85 -2.71491 -0.00004 -0.00550 -0.00069 -0.00614 -2.72105 D86 1.46693 -0.00005 -0.00551 -0.00070 -0.00616 1.46078 Item Value Threshold Converged? Maximum Force 0.000487 0.000450 NO RMS Force 0.000100 0.000300 YES Maximum Displacement 0.023079 0.001800 NO RMS Displacement 0.004693 0.001200 NO Predicted change in Energy=-5.684436D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.960556 -4.937730 2.052473 2 6 0 7.188779 -5.233532 3.527301 3 8 0 6.837012 -6.106928 1.291968 4 7 0 2.995390 -0.798313 0.107202 5 6 0 4.230713 -1.382803 0.291856 6 6 0 4.470333 -2.585185 0.960220 7 7 0 3.653379 -3.518420 1.578901 8 6 0 4.457817 -4.412169 2.048135 9 7 0 5.786061 -4.133139 1.804629 10 6 0 5.795230 -2.961818 1.089810 11 7 0 6.841358 -2.303886 0.635912 12 6 0 6.493341 -1.188470 0.019784 13 7 0 5.281988 -0.704549 -0.164218 14 1 0 7.777922 -4.338260 1.676825 15 1 0 8.126401 -5.770774 3.645430 16 1 0 7.261798 -4.308728 4.088513 17 7 0 4.123631 -5.538738 2.756849 18 1 0 6.386369 -5.834312 3.927292 19 1 0 7.633124 -6.614428 1.371920 20 6 0 2.930748 -5.962631 2.613147 21 1 0 7.299447 -0.598955 -0.378778 22 6 0 1.973837 -1.537598 -0.038583 23 1 0 2.022490 -2.614451 -0.057337 24 7 0 0.736282 -1.041948 -0.222619 25 6 0 0.499803 0.383804 -0.134372 26 6 0 -0.417988 -1.905910 -0.159117 27 1 0 -0.355517 0.638347 -0.749234 28 1 0 1.368904 0.914171 -0.487541 29 1 0 0.296813 0.690191 0.888889 30 1 0 -1.113791 -1.659769 -0.953685 31 1 0 -0.938896 -1.811095 0.791226 32 1 0 -0.117021 -2.937918 -0.281125 33 7 0 2.424798 -6.983730 3.313076 34 1 0 2.246715 -5.508713 1.913136 35 6 0 1.162645 -7.583544 2.943101 36 6 0 3.249831 -7.701192 4.263753 37 1 0 0.544018 -7.726463 3.821745 38 1 0 1.307516 -8.548541 2.464701 39 1 0 0.632798 -6.937961 2.256011 40 1 0 2.608428 -8.178800 4.993775 41 1 0 3.908275 -7.010870 4.766243 42 1 0 3.850664 -8.461240 3.772785 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521414 0.000000 3 O 1.400235 2.425547 0.000000 4 N 6.053214 6.996624 6.659063 0.000000 5 C 4.815529 5.834926 5.487292 1.379039 0.000000 6 C 3.595650 4.581877 4.256043 2.469009 1.396370 7 N 3.629894 4.385991 4.113177 3.161935 2.559426 8 C 2.557331 3.212588 3.017377 4.354982 3.509010 9 N 1.445071 2.479128 2.294158 4.667994 3.503133 10 C 2.487757 3.611651 3.319321 3.672244 2.361722 11 N 2.992990 4.130818 3.859218 4.163863 2.789666 12 C 4.290346 5.398967 5.091934 3.520728 2.287198 13 N 5.064695 6.146125 5.807261 2.304559 1.331620 14 H 1.081000 2.138425 2.040003 6.153662 4.820327 15 H 2.142584 1.087070 2.704498 7.973187 6.758486 16 H 2.152173 1.084229 3.351810 6.809999 5.671253 17 N 2.984209 3.175197 3.135467 5.546637 4.833162 18 H 2.156037 1.079254 2.687439 7.173082 6.138336 19 H 1.930497 2.598074 0.947493 7.545547 6.333470 20 C 4.195728 4.415664 4.126165 5.740568 5.296520 21 H 4.985058 6.062096 5.774341 4.335992 3.237483 22 C 6.387549 7.319227 6.804382 1.269396 2.286185 23 H 5.850933 6.811736 6.098987 2.066872 2.552477 24 N 7.687311 8.559555 8.072602 2.296020 3.548509 25 C 8.651147 9.471256 9.182824 2.771951 4.149971 26 C 8.278043 9.084363 8.508186 3.598451 4.699728 27 H 9.615983 10.473019 10.069644 3.745138 5.118831 28 H 8.483100 9.369319 9.075389 2.435524 3.751467 29 H 8.799596 9.463134 9.441266 3.179465 4.486571 30 H 9.218302 10.088789 9.382720 4.330468 5.494707 31 H 8.588827 9.233541 8.897734 4.119736 5.211302 32 H 7.716024 8.552699 7.802296 3.796816 4.652900 33 N 5.133063 5.079823 4.931662 6.990177 6.615094 34 H 4.750341 5.206270 4.670603 5.099979 4.856741 35 C 6.435008 6.494469 6.091393 7.578960 7.408868 36 C 5.127959 4.706062 4.923520 8.061724 7.527292 37 H 7.216601 7.103116 6.973123 8.234459 8.142104 38 H 6.720472 6.834300 6.157280 8.274826 8.038291 39 H 6.639494 6.892180 6.333425 6.920585 6.903816 40 H 6.172262 5.639571 5.989737 8.860018 8.421723 41 H 4.580270 3.931362 4.633055 7.818944 7.197169 42 H 5.004600 4.649879 4.540431 8.537472 7.897187 6 7 8 9 10 6 C 0.000000 7 N 1.386041 0.000000 8 C 2.126403 1.290770 0.000000 9 N 2.200076 2.230957 1.378908 0.000000 10 C 1.383474 2.266394 2.193303 1.372240 0.000000 11 N 2.409578 3.539426 3.481451 2.413653 1.316542 12 C 2.632070 3.990601 4.318542 3.515252 2.185653 13 N 2.336650 3.688998 4.395476 3.985684 2.632730 14 H 3.811423 4.206374 3.341621 2.006469 2.483998 15 H 5.543029 5.417709 4.225598 3.398174 4.455983 16 H 4.533111 4.465806 3.469316 2.724840 3.599612 17 N 3.474415 2.385452 1.372266 2.376153 3.494822 18 H 4.799118 4.283401 3.045166 2.785687 4.080682 19 H 5.138828 5.046432 3.922982 3.123407 4.098658 20 C 4.063205 2.750641 2.248357 3.486195 4.419354 21 H 3.707008 5.064543 5.339042 4.421319 3.162680 22 C 2.885747 3.059538 4.334479 4.966621 4.231397 23 H 2.651077 2.480773 3.687223 4.465176 3.958557 24 N 4.209967 4.229402 5.510402 6.258232 5.567884 25 C 5.077217 5.301669 6.590187 7.218520 6.382269 26 C 5.060634 4.711362 5.909888 6.878015 6.424862 27 H 6.049977 6.226571 7.516726 8.185859 7.360365 28 H 4.894932 5.397858 6.658899 7.088065 6.091280 29 H 5.305793 5.427252 6.685199 7.364438 6.603797 30 H 5.975103 5.709158 6.901408 7.831591 7.321596 31 H 5.466949 4.962296 6.121268 7.186371 6.838258 32 H 4.765414 4.244125 5.341162 6.373799 6.069164 33 N 5.391414 4.065113 3.513711 4.658258 5.698991 34 H 3.794673 2.460017 2.471761 3.798809 4.444828 35 C 6.313178 4.958833 4.660122 5.880254 6.801168 36 C 6.210997 4.986668 4.145583 5.021031 6.246169 37 H 7.073685 5.692636 5.426607 6.667815 7.598720 38 H 6.915814 5.620482 5.216080 6.323672 7.296668 39 H 5.945789 4.612553 4.588421 5.884462 6.619701 40 H 7.143164 5.871322 5.126845 6.052716 7.253520 41 H 5.864163 4.735116 3.800441 4.536361 5.785462 42 H 6.543893 5.411424 4.442750 5.133406 6.420540 11 12 13 14 15 11 N 0.000000 12 C 1.320940 0.000000 13 N 2.372704 1.317350 0.000000 14 H 2.469682 3.783796 4.777341 0.000000 15 H 4.767373 6.067101 6.947715 2.459459 0.000000 16 H 4.014551 5.184698 5.915697 2.466474 1.755403 17 N 4.727440 5.659672 5.765744 3.995177 4.106773 18 H 4.848103 6.071566 6.653914 3.039603 1.763858 19 H 4.444027 5.706873 6.543258 2.301059 2.474656 20 C 5.708656 6.496939 6.394491 5.197151 5.300683 21 H 2.036230 1.075261 2.031582 4.293815 6.604985 22 C 4.973420 4.533345 3.413740 6.668864 8.327412 23 H 4.878374 4.693386 3.779348 6.253305 7.805805 24 N 6.292974 5.764022 4.558584 8.003640 9.588403 25 C 6.930537 6.198250 4.904559 8.862806 10.503844 26 C 7.313588 6.950769 5.825206 8.744139 10.120195 27 H 7.897493 7.129902 5.824696 9.838965 11.503602 28 H 6.447154 5.562223 4.247001 8.564346 10.365023 29 H 7.201359 6.533120 5.282642 9.048379 10.518795 30 H 8.137942 7.683633 6.514729 9.651759 11.110057 31 H 7.797393 7.498062 6.390361 9.118869 10.295881 32 H 7.047127 6.844560 5.843878 8.253766 9.560174 33 N 6.969516 7.809216 7.725491 6.191265 5.838665 34 H 5.745691 6.346898 6.050477 5.658626 6.135163 35 C 8.089851 8.823779 8.599127 7.476444 7.230028 36 C 7.429079 8.423015 8.525819 6.205249 5.281077 37 H 8.900021 9.622615 9.361813 8.271032 7.832519 38 H 8.541873 9.329579 9.178009 7.759727 7.457031 39 H 7.914897 8.509014 8.144194 7.625398 7.710182 40 H 8.451230 9.417954 9.466638 7.244002 6.169656 41 H 6.915078 7.944292 8.121959 5.626856 4.537251 42 H 7.529756 8.600113 8.815607 6.067567 5.053391 16 17 18 19 20 16 H 0.000000 17 N 3.624133 0.000000 18 H 1.766288 2.564621 0.000000 19 H 3.582459 3.923223 2.948373 0.000000 20 C 4.865192 1.274090 3.699292 4.906917 0.000000 21 H 5.806938 6.657284 6.839950 6.273931 7.536987 22 C 7.257728 5.333402 7.325323 7.732481 5.246739 23 H 6.892676 4.570108 6.729651 7.037173 4.377982 24 N 8.475852 6.369654 8.491878 9.008969 6.088544 25 C 9.250794 7.521156 9.477011 10.105861 7.330456 26 C 9.099177 6.505890 8.856092 9.451700 5.946131 27 H 10.290813 8.397129 10.450753 10.996383 8.104200 28 H 9.107422 7.730112 9.497775 9.968844 7.703508 29 H 9.150836 7.545421 9.427816 10.363988 7.360076 30 H 10.128733 7.499670 9.874368 10.318217 6.898928 31 H 9.184860 6.586971 8.926405 9.843209 5.960604 32 H 8.684459 5.828952 8.270064 8.735791 5.178281 33 N 5.581532 2.298570 4.170428 5.570560 1.337358 34 H 5.596721 2.058049 4.615146 5.525299 1.078868 35 C 7.016840 3.603243 5.596047 6.728662 2.421242 36 C 5.256938 2.776777 3.665559 5.362557 2.418451 37 H 7.541926 4.328253 6.142023 7.582460 3.204418 38 H 7.487739 4.132162 5.941461 6.704348 3.056770 39 H 7.363054 3.794019 6.092192 7.063346 2.521783 40 H 6.119706 3.777513 4.572401 6.388479 3.268437 41 H 4.359702 2.500243 2.868637 5.055007 2.586540 42 H 5.383203 3.106067 3.654371 4.845810 2.904144 21 22 23 24 25 21 H 0.000000 22 C 5.418386 0.000000 23 H 5.657898 1.078114 0.000000 24 N 6.579951 1.345764 2.038238 0.000000 25 C 6.874642 2.423579 3.363635 1.447922 0.000000 26 C 7.830401 2.423017 2.543290 1.443192 2.466930 27 H 7.763158 3.265831 4.088317 2.071893 1.083707 28 H 6.121496 2.564893 3.614336 2.072871 1.077662 29 H 7.232272 2.938649 3.846292 2.104493 1.087263 30 H 8.499318 3.222697 3.398693 2.083010 2.729679 31 H 8.408834 3.040953 3.183591 2.103732 2.782834 32 H 7.777164 2.528123 2.175367 2.079965 3.381693 33 N 8.840664 6.410720 5.532823 7.117373 8.358890 34 H 7.408691 4.433219 3.508532 5.176375 6.478098 35 C 9.873181 6.789840 5.868036 7.279839 8.566728 36 C 9.401822 7.624181 6.786244 8.413738 9.605899 37 H 10.680899 7.432938 6.585274 7.815151 9.023815 38 H 10.352996 7.474204 6.487317 7.993556 9.337792 39 H 9.569186 6.018926 5.096623 6.396662 7.703237 40 H 10.407883 8.356608 7.537840 9.036058 10.201096 41 H 8.892915 7.535590 6.793497 8.401090 9.503415 42 H 9.536514 8.123166 7.224748 8.983792 10.233716 26 27 28 29 30 26 C 0.000000 27 H 2.612544 0.000000 28 H 3.354654 1.765840 0.000000 29 H 2.889464 1.763993 1.759007 0.000000 30 H 1.084465 2.428604 3.606415 3.302605 0.000000 31 H 1.087882 2.951798 3.793186 2.791585 1.760171 32 H 1.081900 3.614648 4.133905 3.834498 1.754865 33 N 6.776563 9.073509 8.828161 8.324305 7.685793 34 H 4.937112 7.186528 6.912832 6.578573 5.858843 35 C 6.660157 9.139893 9.166407 8.568789 7.447027 36 C 8.160880 10.376728 10.016843 9.514480 9.097342 37 H 7.116991 9.574605 9.690766 8.916436 7.896698 38 H 7.347539 9.873903 9.912740 9.426498 8.062460 39 H 5.679660 8.210281 8.350144 7.756972 6.419659 40 H 8.663754 10.932027 10.689404 10.042542 9.577314 41 H 8.308812 10.349441 9.841592 9.347881 9.304461 42 H 8.755204 10.997413 10.592820 10.232077 9.656362 31 32 33 34 35 31 H 0.000000 32 H 1.759303 0.000000 33 N 6.665607 5.978939 0.000000 34 H 5.007913 4.124442 2.041376 0.000000 35 C 6.509087 5.797846 1.445576 2.557530 0.000000 36 C 8.018549 7.394618 1.448868 3.367284 2.472713 37 H 6.809895 6.340401 2.085122 3.385319 1.084040 38 H 7.296579 6.406868 2.101593 3.229066 1.086771 39 H 5.558829 4.795793 2.081045 2.182897 1.081484 40 H 8.413834 7.919563 2.070425 4.092741 2.578736 41 H 8.144538 7.633340 2.076809 3.627323 3.345189 42 H 8.720895 7.917309 2.104154 3.840359 2.946891 36 37 38 39 40 36 C 0.000000 37 H 2.741794 0.000000 38 H 2.779779 1.760770 0.000000 39 H 3.385618 1.755318 1.758625 0.000000 40 H 1.082792 2.416620 2.867977 3.596964 0.000000 41 H 1.078234 3.566844 3.798088 4.127388 1.762224 42 H 1.086151 3.387654 2.861172 3.869838 1.764579 41 42 41 H 0.000000 42 H 1.758935 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487848 -2.268530 0.151141 2 6 0 3.475161 -2.134692 -0.998643 3 8 0 3.041887 -1.867110 1.372844 4 7 0 -3.253857 -0.386606 -0.212981 5 6 0 -2.222191 -1.289605 -0.064634 6 6 0 -0.860922 -0.978618 -0.073727 7 7 0 -0.147532 0.203525 -0.195053 8 6 0 1.094227 -0.147143 -0.161072 9 7 0 1.273988 -1.509329 -0.044790 10 6 0 0.013177 -2.046284 0.026477 11 7 0 -0.315846 -3.315986 0.139982 12 6 0 -1.625544 -3.487950 0.141681 13 7 0 -2.566579 -2.571556 0.041249 14 1 0 2.152517 -3.294050 0.217649 15 1 0 4.323796 -2.790729 -0.822138 16 1 0 3.009315 -2.436001 -1.930174 17 7 0 2.190516 0.672670 -0.256830 18 1 0 3.828237 -1.118533 -1.085533 19 1 0 3.794712 -2.409385 1.565030 20 6 0 2.006447 1.898002 0.039792 21 1 0 -1.967469 -4.503320 0.232774 22 6 0 -3.118360 0.791423 0.240069 23 1 0 -2.239912 1.122396 0.770273 24 7 0 -4.079000 1.727837 0.133395 25 6 0 -5.280210 1.458560 -0.628879 26 6 0 -3.800594 3.106147 0.458290 27 1 0 -6.091628 2.057315 -0.231999 28 1 0 -5.529759 0.413323 -0.547886 29 1 0 -5.147362 1.704487 -1.679599 30 1 0 -4.624032 3.531555 1.021354 31 1 0 -3.652830 3.707694 -0.436022 32 1 0 -2.906951 3.171950 1.064574 33 7 0 2.947347 2.837607 -0.102958 34 1 0 1.062430 2.254854 0.421165 35 6 0 2.776940 4.151844 0.474477 36 6 0 4.270616 2.484321 -0.575572 37 1 0 3.046424 4.915438 -0.246248 38 1 0 3.396556 4.279929 1.358073 39 1 0 1.743850 4.301239 0.757346 40 1 0 4.734507 3.362466 -1.006972 41 1 0 4.193915 1.716309 -1.328476 42 1 0 4.895759 2.117949 0.233558 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3205835 0.1995853 0.1280136 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.5067066686 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.93D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000037 0.000031 -0.000061 Ang= -0.01 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37961303 A.U. after 9 cycles NFock= 9 Conv=0.97D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000155481 -0.000036816 -0.000033431 2 6 -0.000068086 0.000116060 -0.000074492 3 8 0.000042588 -0.000093352 -0.000049684 4 7 0.000134982 -0.000083912 -0.000036105 5 6 -0.000112812 -0.000239215 0.000070332 6 6 -0.000173399 0.000258190 -0.000139547 7 7 0.000431970 -0.000100848 0.000058606 8 6 -0.000682670 -0.000047142 0.000038951 9 7 0.000206760 0.000552294 -0.000099987 10 6 0.000126986 -0.000527236 0.000325068 11 7 -0.000152727 0.000573759 -0.000296049 12 6 0.000282169 -0.000617084 0.000249741 13 7 -0.000109169 0.000210797 0.000015780 14 1 -0.000063768 -0.000009663 -0.000022148 15 1 0.000007501 -0.000059155 0.000077183 16 1 -0.000000671 0.000025759 -0.000019712 17 7 0.000154584 0.000111067 -0.000248644 18 1 -0.000057150 -0.000045677 0.000007272 19 1 -0.000040138 -0.000008006 -0.000007997 20 6 -0.000038886 -0.000069623 0.000015187 21 1 -0.000016679 0.000026028 0.000008341 22 6 -0.000171117 0.000169334 -0.000207802 23 1 0.000025115 -0.000031853 0.000081473 24 7 -0.000067548 0.000047412 0.000072353 25 6 0.000114235 -0.000073884 -0.000058061 26 6 0.000098621 0.000005587 0.000050047 27 1 0.000028885 0.000005063 -0.000045550 28 1 -0.000001941 -0.000016669 0.000058556 29 1 -0.000055771 0.000060276 0.000031235 30 1 -0.000001701 0.000014672 0.000016155 31 1 -0.000026939 -0.000045785 -0.000003535 32 1 0.000003249 -0.000041426 0.000003023 33 7 -0.000000567 0.000080373 0.000486679 34 1 0.000064769 -0.000012274 0.000015187 35 6 -0.000122891 -0.000103035 -0.000289109 36 6 0.000048110 0.000065251 -0.000047015 37 1 0.000055134 0.000004023 -0.000009355 38 1 -0.000065687 -0.000010911 -0.000023979 39 1 -0.000018235 0.000005806 0.000030774 40 1 0.000009478 0.000006432 -0.000013712 41 1 0.000004734 -0.000019664 -0.000013379 42 1 0.000053203 -0.000044956 0.000027352 ------------------------------------------------------------------- Cartesian Forces: Max 0.000682670 RMS 0.000164583 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000544422 RMS 0.000095230 Search for a local minimum. Step number 22 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 DE= -6.61D-06 DEPred=-5.68D-06 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 3.82D-02 DXNew= 2.8153D+00 1.1474D-01 Trust test= 1.16D+00 RLast= 3.82D-02 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 ITU= 1 0 Eigenvalues --- 0.00088 0.00153 0.00245 0.00411 0.00586 Eigenvalues --- 0.00842 0.01196 0.01236 0.01276 0.01497 Eigenvalues --- 0.01547 0.02058 0.02108 0.02148 0.02242 Eigenvalues --- 0.02321 0.02547 0.02581 0.02606 0.02654 Eigenvalues --- 0.02822 0.03141 0.03280 0.03347 0.03505 Eigenvalues --- 0.04609 0.05413 0.05527 0.05707 0.06083 Eigenvalues --- 0.06638 0.07399 0.07494 0.07577 0.07615 Eigenvalues --- 0.07662 0.07808 0.07921 0.08001 0.08414 Eigenvalues --- 0.15552 0.15850 0.15918 0.15963 0.15982 Eigenvalues --- 0.15992 0.15996 0.15999 0.16002 0.16004 Eigenvalues --- 0.16007 0.16022 0.16035 0.16075 0.16129 Eigenvalues --- 0.16266 0.16585 0.17160 0.17913 0.18582 Eigenvalues --- 0.20885 0.22218 0.22287 0.22940 0.23614 Eigenvalues --- 0.23989 0.24273 0.24380 0.24534 0.24911 Eigenvalues --- 0.24948 0.25062 0.25932 0.26450 0.27461 Eigenvalues --- 0.27882 0.32737 0.32838 0.32982 0.33236 Eigenvalues --- 0.33340 0.33414 0.33539 0.33562 0.33618 Eigenvalues --- 0.33640 0.33676 0.33690 0.33746 0.33773 Eigenvalues --- 0.33833 0.33879 0.34700 0.36104 0.37486 Eigenvalues --- 0.38460 0.39118 0.39670 0.39810 0.40036 Eigenvalues --- 0.40391 0.40589 0.40940 0.41886 0.43093 Eigenvalues --- 0.45708 0.47539 0.49056 0.50385 0.52098 Eigenvalues --- 0.53197 0.54655 0.59618 0.59895 0.65894 Eigenvalues --- 0.69824 0.70927 0.74162 0.76538 0.87270 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 19 18 17 16 15 14 13 RFO step: Lambda=-1.96311199D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.73936 -2.00000 0.06783 0.19559 0.09444 RFO-DIIS coefs: -0.18445 0.03191 0.09140 -0.03567 -0.00040 Iteration 1 RMS(Cart)= 0.00909727 RMS(Int)= 0.00008188 Iteration 2 RMS(Cart)= 0.00008789 RMS(Int)= 0.00001917 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001917 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87506 -0.00003 -0.00001 -0.00009 -0.00010 2.87496 R2 2.64606 0.00012 0.00015 -0.00005 0.00010 2.64616 R3 2.73079 0.00002 0.00016 0.00004 0.00020 2.73099 R4 2.04279 -0.00005 0.00004 -0.00012 -0.00009 2.04271 R5 2.05426 0.00004 0.00006 0.00005 0.00011 2.05437 R6 2.04890 0.00001 -0.00001 0.00003 0.00002 2.04891 R7 2.03950 0.00007 0.00006 0.00007 0.00013 2.03962 R8 1.79050 -0.00003 0.00004 -0.00012 -0.00009 1.79042 R9 2.60601 -0.00006 -0.00019 0.00002 -0.00017 2.60584 R10 2.39881 -0.00001 0.00006 -0.00002 0.00004 2.39885 R11 2.63876 -0.00015 -0.00027 -0.00009 -0.00036 2.63840 R12 2.51640 0.00004 0.00036 -0.00004 0.00032 2.51671 R13 2.61924 -0.00002 -0.00001 -0.00006 -0.00007 2.61916 R14 2.61439 0.00014 0.00023 0.00014 0.00037 2.61476 R15 2.43920 -0.00028 -0.00016 -0.00039 -0.00055 2.43866 R16 2.60576 0.00020 0.00031 0.00033 0.00065 2.60641 R17 2.59321 -0.00008 -0.00003 -0.00031 -0.00034 2.59287 R18 2.59316 -0.00040 -0.00022 -0.00059 -0.00080 2.59235 R19 2.48790 0.00007 -0.00005 0.00011 0.00006 2.48797 R20 2.49622 -0.00054 0.00000 -0.00054 -0.00054 2.49567 R21 2.48943 0.00016 -0.00007 0.00017 0.00011 2.48954 R22 2.03195 -0.00000 -0.00000 0.00002 0.00002 2.03197 R23 2.40768 0.00002 0.00002 -0.00020 -0.00018 2.40751 R24 2.52724 0.00010 0.00027 0.00040 0.00067 2.52791 R25 2.03877 -0.00006 -0.00003 -0.00000 -0.00004 2.03873 R26 2.03734 0.00003 0.00008 0.00002 0.00010 2.03744 R27 2.54312 -0.00012 -0.00028 0.00032 0.00005 2.54317 R28 2.73618 -0.00004 -0.00017 -0.00016 -0.00033 2.73584 R29 2.72724 -0.00002 -0.00017 -0.00001 -0.00017 2.72706 R30 2.04791 0.00000 0.00008 0.00018 0.00026 2.04817 R31 2.03649 -0.00003 -0.00018 -0.00012 -0.00030 2.03618 R32 2.05463 0.00006 0.00017 0.00010 0.00027 2.05490 R33 2.04934 -0.00001 -0.00008 -0.00006 -0.00013 2.04921 R34 2.05580 0.00001 0.00008 0.00007 0.00015 2.05594 R35 2.04449 0.00004 0.00007 0.00006 0.00014 2.04463 R36 2.73174 0.00025 0.00037 0.00033 0.00070 2.73245 R37 2.73796 0.00003 -0.00007 -0.00008 -0.00015 2.73781 R38 2.04854 -0.00004 -0.00007 -0.00017 -0.00024 2.04829 R39 2.05370 0.00001 0.00007 0.00005 0.00012 2.05382 R40 2.04371 -0.00001 -0.00002 0.00005 0.00003 2.04374 R41 2.04618 -0.00002 -0.00002 0.00008 0.00006 2.04624 R42 2.03757 -0.00002 -0.00015 -0.00007 -0.00022 2.03735 R43 2.05253 0.00005 0.00021 0.00006 0.00027 2.05280 A1 1.95777 0.00007 0.00003 0.00030 0.00033 1.95810 A2 1.97842 -0.00029 -0.00041 -0.00083 -0.00123 1.97719 A3 1.90843 0.00010 0.00013 0.00056 0.00069 1.90912 A4 1.87554 0.00011 0.00007 -0.00010 -0.00002 1.87552 A5 1.91881 -0.00005 0.00005 0.00001 0.00006 1.91887 A6 1.81953 0.00006 0.00013 0.00003 0.00017 1.81970 A7 1.90796 0.00013 0.00043 0.00046 0.00089 1.90885 A8 1.92413 -0.00005 -0.00018 -0.00021 -0.00039 1.92374 A9 1.93475 -0.00005 -0.00019 -0.00010 -0.00028 1.93447 A10 1.88305 -0.00001 0.00001 0.00002 0.00003 1.88308 A11 1.90275 -0.00005 -0.00009 -0.00020 -0.00030 1.90245 A12 1.91033 0.00003 0.00003 0.00003 0.00006 1.91039 A13 1.90422 0.00005 0.00013 -0.00007 0.00007 1.90429 A14 2.08223 0.00014 -0.00012 0.00042 0.00031 2.08254 A15 2.19293 0.00015 0.00002 0.00050 0.00052 2.19345 A16 2.03248 -0.00012 -0.00002 -0.00045 -0.00047 2.03201 A17 2.05674 -0.00003 -0.00002 -0.00004 -0.00007 2.05668 A18 2.33544 0.00007 -0.00007 0.00005 -0.00002 2.33541 A19 2.03039 0.00001 0.00018 0.00012 0.00030 2.03069 A20 1.91702 -0.00008 -0.00010 -0.00017 -0.00026 1.91676 A21 1.83500 0.00008 0.00016 0.00014 0.00030 1.83530 A22 1.97797 -0.00008 -0.00013 -0.00011 -0.00024 1.97773 A23 2.21983 0.00039 0.00030 0.00053 0.00083 2.22066 A24 2.08508 -0.00030 -0.00016 -0.00044 -0.00060 2.08448 A25 2.26522 -0.00025 -0.00024 -0.00025 -0.00048 2.26473 A26 2.16418 0.00016 0.00011 0.00024 0.00035 2.16453 A27 1.84539 0.00008 0.00005 0.00002 0.00008 1.84547 A28 1.84915 -0.00000 0.00001 0.00011 0.00012 1.84927 A29 2.20510 -0.00009 -0.00020 -0.00026 -0.00047 2.20463 A30 2.22872 0.00009 0.00019 0.00016 0.00035 2.22907 A31 1.95352 0.00007 0.00008 0.00016 0.00024 1.95376 A32 2.23649 0.00006 0.00011 0.00009 0.00020 2.23668 A33 2.02453 -0.00001 -0.00004 0.00010 0.00006 2.02459 A34 2.02216 -0.00006 -0.00007 -0.00020 -0.00026 2.02190 A35 2.08404 -0.00003 -0.00014 -0.00006 -0.00021 2.08383 A36 2.02962 0.00039 0.00030 -0.00009 0.00021 2.02983 A37 2.15221 0.00002 0.00024 0.00044 0.00068 2.15289 A38 2.12565 -0.00005 -0.00029 -0.00026 -0.00056 2.12509 A39 2.00529 0.00002 0.00005 -0.00016 -0.00012 2.00518 A40 2.15004 -0.00006 -0.00039 -0.00029 -0.00067 2.14936 A41 2.14273 0.00005 0.00044 0.00068 0.00112 2.14385 A42 1.98996 0.00001 -0.00002 -0.00040 -0.00043 1.98953 A43 2.09962 -0.00005 0.00015 0.00097 0.00128 2.10090 A44 2.10481 -0.00011 -0.00055 -0.00086 -0.00128 2.10353 A45 2.04449 0.00016 -0.00002 -0.00037 -0.00024 2.04424 A46 1.90245 -0.00002 0.00011 0.00062 0.00073 1.90319 A47 1.91020 -0.00002 -0.00054 -0.00016 -0.00070 1.90949 A48 1.94479 0.00008 0.00049 -0.00055 -0.00006 1.94473 A49 1.91238 0.00000 0.00005 0.00006 0.00011 1.91248 A50 1.89698 -0.00002 -0.00018 -0.00032 -0.00049 1.89649 A51 1.89685 -0.00003 0.00006 0.00036 0.00042 1.89727 A52 1.92309 -0.00002 -0.00049 -0.00044 -0.00093 1.92216 A53 1.94898 0.00007 0.00047 0.00042 0.00089 1.94987 A54 1.92153 0.00000 0.00011 0.00005 0.00016 1.92169 A55 1.88920 -0.00002 -0.00011 -0.00011 -0.00022 1.88898 A56 1.88848 0.00001 -0.00002 -0.00010 -0.00012 1.88835 A57 1.89110 -0.00004 0.00002 0.00018 0.00020 1.89129 A58 2.10968 -0.00018 -0.00083 -0.00165 -0.00247 2.10721 A59 2.10141 -0.00004 -0.00028 0.00005 -0.00022 2.10119 A60 2.04839 0.00021 -0.00020 -0.00004 -0.00022 2.04817 A61 1.92359 -0.00008 -0.00056 -0.00060 -0.00116 1.92243 A62 1.94412 0.00012 0.00060 0.00035 0.00095 1.94507 A63 1.92056 0.00000 0.00009 -0.00004 0.00005 1.92061 A64 1.89210 -0.00002 -0.00012 0.00004 -0.00008 1.89202 A65 1.89026 0.00001 -0.00001 -0.00010 -0.00012 1.89014 A66 1.89198 -0.00003 -0.00000 0.00036 0.00035 1.89234 A67 1.90021 -0.00002 -0.00006 0.00023 0.00017 1.90038 A68 1.91398 -0.00000 -0.00017 -0.00020 -0.00037 1.91361 A69 1.94434 0.00008 0.00045 -0.00003 0.00043 1.94476 A70 1.90703 0.00000 -0.00001 0.00006 0.00005 1.90708 A71 1.90052 -0.00003 -0.00011 -0.00011 -0.00022 1.90030 A72 1.89744 -0.00004 -0.00009 0.00004 -0.00005 1.89738 D1 1.09230 0.00001 -0.00130 -0.00044 -0.00173 1.09057 D2 -3.12369 0.00004 -0.00113 -0.00026 -0.00139 -3.12508 D3 -1.00564 0.00001 -0.00134 -0.00042 -0.00176 -1.00740 D4 -3.06278 -0.00001 -0.00148 -0.00096 -0.00244 -3.06522 D5 -0.99560 0.00001 -0.00131 -0.00077 -0.00209 -0.99768 D6 1.12246 -0.00001 -0.00152 -0.00094 -0.00246 1.11999 D7 -1.04107 -0.00005 -0.00147 -0.00105 -0.00252 -1.04359 D8 1.02612 -0.00002 -0.00131 -0.00086 -0.00217 1.02395 D9 -3.13901 -0.00004 -0.00152 -0.00103 -0.00254 -3.14156 D10 -1.04989 -0.00012 0.00128 0.00197 0.00325 -1.04664 D11 3.04752 0.00012 0.00172 0.00289 0.00461 3.05213 D12 1.07757 0.00002 0.00150 0.00289 0.00439 1.08197 D13 -1.10043 0.00001 -0.00136 0.00023 -0.00113 -1.10156 D14 2.20053 0.00002 -0.00074 0.00012 -0.00062 2.19991 D15 1.07292 -0.00001 -0.00155 -0.00001 -0.00156 1.07136 D16 -1.90931 -0.00001 -0.00093 -0.00013 -0.00105 -1.91036 D17 3.10908 0.00001 -0.00139 -0.00003 -0.00142 3.10765 D18 0.12685 0.00001 -0.00077 -0.00014 -0.00091 0.12593 D19 -0.57775 0.00008 0.00326 0.00059 0.00386 -0.57390 D20 2.61409 0.00011 0.00382 0.00036 0.00418 2.61827 D21 -0.03508 0.00008 0.00160 0.00013 0.00174 -0.03335 D22 3.14120 -0.00000 0.00047 0.00045 0.00092 -3.14106 D23 0.02217 0.00002 0.00059 -0.00027 0.00031 0.02248 D24 -3.08825 0.00001 0.00015 -0.00038 -0.00023 -3.08848 D25 3.11288 -0.00001 0.00003 -0.00005 -0.00002 3.11286 D26 0.00246 -0.00002 -0.00041 -0.00015 -0.00056 0.00189 D27 3.10350 0.00000 -0.00013 0.00043 0.00030 3.10380 D28 0.00809 0.00002 0.00037 0.00020 0.00057 0.00867 D29 -3.11745 -0.00002 -0.00045 -0.00028 -0.00073 -3.11818 D30 -0.00556 -0.00002 -0.00003 -0.00018 -0.00021 -0.00577 D31 3.10986 0.00001 0.00015 0.00027 0.00042 3.11027 D32 -0.01067 0.00000 0.00015 0.00020 0.00035 -0.01032 D33 -0.00783 0.00001 -0.00018 0.00018 -0.00000 -0.00783 D34 -3.12835 -0.00000 -0.00018 0.00012 -0.00007 -3.12842 D35 0.01739 0.00002 0.00023 0.00010 0.00033 0.01773 D36 3.13178 -0.00002 0.00068 -0.00080 -0.00012 3.13166 D37 -3.02707 -0.00002 0.00017 -0.00011 0.00006 -3.02700 D38 -0.02259 -0.00001 -0.00035 0.00001 -0.00034 -0.02293 D39 0.13943 0.00000 -0.00025 0.00070 0.00045 0.13988 D40 -3.13928 0.00001 -0.00077 0.00081 0.00005 -3.13923 D41 0.38561 -0.00001 -0.00213 -0.00134 -0.00348 0.38213 D42 -2.78468 -0.00004 -0.00167 -0.00228 -0.00395 -2.78863 D43 3.03183 -0.00003 -0.00021 -0.00006 -0.00027 3.03157 D44 -0.13120 -0.00002 -0.00022 0.00000 -0.00022 -0.13142 D45 0.01727 0.00000 0.00031 -0.00012 0.00019 0.01746 D46 3.13742 0.00001 0.00030 -0.00006 0.00024 3.13766 D47 0.00686 0.00000 0.00014 -0.00025 -0.00011 0.00675 D48 -3.10913 -0.00001 0.00015 -0.00033 -0.00018 -3.10932 D49 0.00555 0.00001 -0.00020 0.00031 0.00010 0.00565 D50 -3.14038 -0.00002 0.00013 -0.00039 -0.00026 -3.14064 D51 -0.01325 -0.00002 -0.00006 -0.00030 -0.00036 -0.01361 D52 3.13267 0.00001 -0.00039 0.00040 0.00000 3.13267 D53 -3.04837 -0.00002 0.00040 0.00001 0.00040 -3.04797 D54 0.08342 0.00003 0.00032 0.00093 0.00125 0.08467 D55 -2.93867 0.00006 0.00456 0.00611 0.01070 -2.92798 D56 -0.03539 0.00003 -0.00126 -0.00197 -0.00326 -0.03865 D57 0.21210 0.00001 0.00463 0.00525 0.00990 0.22200 D58 3.11539 -0.00001 -0.00119 -0.00284 -0.00405 3.11133 D59 -0.10348 0.00007 0.00102 -0.00023 0.00080 -0.10268 D60 -2.95893 0.00002 0.00097 0.00089 0.00184 -2.95708 D61 3.06990 -0.00001 -0.00001 0.00007 0.00007 3.06996 D62 0.21445 -0.00005 -0.00006 0.00118 0.00111 0.21556 D63 2.66563 -0.00006 -0.01001 -0.01511 -0.02513 2.64050 D64 0.57435 -0.00004 -0.00982 -0.01545 -0.02529 0.54906 D65 -1.52406 -0.00005 -0.00985 -0.01544 -0.02530 -1.54937 D66 -0.75250 -0.00006 -0.01004 -0.01628 -0.02631 -0.77881 D67 -2.84378 -0.00004 -0.00985 -0.01662 -0.02647 -2.87025 D68 1.34100 -0.00004 -0.00988 -0.01661 -0.02649 1.31451 D69 -2.40448 -0.00000 -0.00620 -0.00921 -0.01544 -2.41991 D70 1.77859 -0.00000 -0.00605 -0.00905 -0.01512 1.76346 D71 -0.32288 -0.00000 -0.00646 -0.00958 -0.01607 -0.33895 D72 1.01452 -0.00001 -0.00637 -0.00834 -0.01468 0.99983 D73 -1.08560 -0.00002 -0.00622 -0.00818 -0.01437 -1.09997 D74 3.09611 -0.00002 -0.00663 -0.00871 -0.01531 3.08080 D75 -2.34559 -0.00003 -0.00730 -0.01491 -0.02219 -2.36778 D76 1.83667 -0.00004 -0.00717 -0.01479 -0.02194 1.81473 D77 -0.26208 -0.00007 -0.00761 -0.01544 -0.02303 -0.28511 D78 1.02731 0.00002 -0.00155 -0.00709 -0.00866 1.01865 D79 -1.07361 0.00002 -0.00142 -0.00696 -0.00840 -1.08202 D80 3.11082 -0.00002 -0.00187 -0.00762 -0.00950 3.10132 D81 2.73638 0.00003 -0.00133 -0.00287 -0.00421 2.73217 D82 0.65070 0.00004 -0.00117 -0.00297 -0.00414 0.64656 D83 -1.45066 0.00004 -0.00122 -0.00287 -0.00410 -1.45476 D84 -0.63537 -0.00005 -0.00711 -0.01090 -0.01800 -0.65337 D85 -2.72105 -0.00004 -0.00695 -0.01099 -0.01794 -2.73899 D86 1.46078 -0.00004 -0.00701 -0.01090 -0.01790 1.44288 Item Value Threshold Converged? Maximum Force 0.000544 0.000450 NO RMS Force 0.000095 0.000300 YES Maximum Displacement 0.053878 0.001800 NO RMS Displacement 0.009099 0.001200 NO Predicted change in Energy=-9.443508D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.959967 -4.938309 2.052645 2 6 0 7.186754 -5.232093 3.528043 3 8 0 6.834943 -6.108321 1.293534 4 7 0 2.996489 -0.798098 0.104920 5 6 0 4.231345 -1.383080 0.290461 6 6 0 4.470737 -2.584907 0.959508 7 7 0 3.653587 -3.517811 1.578343 8 6 0 4.457328 -4.411716 2.047680 9 7 0 5.786008 -4.132867 1.804404 10 6 0 5.795643 -2.962100 1.089500 11 7 0 6.841787 -2.304303 0.635349 12 6 0 6.494132 -1.189316 0.018852 13 7 0 5.282950 -0.704971 -0.165555 14 1 0 7.777799 -4.340130 1.676090 15 1 0 8.122467 -5.772271 3.648427 16 1 0 7.262261 -4.306265 4.087247 17 7 0 4.123629 -5.538066 2.756623 18 1 0 6.382041 -5.829482 3.928666 19 1 0 7.628968 -6.618449 1.376910 20 6 0 2.929717 -5.960050 2.616716 21 1 0 7.300380 -0.599937 -0.379652 22 6 0 1.973741 -1.536599 -0.036603 23 1 0 2.021446 -2.613634 -0.049377 24 7 0 0.736207 -1.041432 -0.222253 25 6 0 0.498701 0.384460 -0.142301 26 6 0 -0.417318 -1.905637 -0.151055 27 1 0 -0.341554 0.639213 -0.777745 28 1 0 1.376624 0.912872 -0.475526 29 1 0 0.271361 0.692825 0.875385 30 1 0 -1.121008 -1.654338 -0.936917 31 1 0 -0.928751 -1.816512 0.805056 32 1 0 -0.118023 -2.937024 -0.282687 33 7 0 2.423545 -6.980713 3.317795 34 1 0 2.244787 -5.505009 1.918344 35 6 0 1.164932 -7.584250 2.940434 36 6 0 3.251127 -7.702633 4.262740 37 1 0 0.550505 -7.746389 3.818530 38 1 0 1.315201 -8.540117 2.445511 39 1 0 0.627985 -6.930966 2.266232 40 1 0 2.612375 -8.175711 4.998060 41 1 0 3.917425 -7.015879 4.759484 42 1 0 3.843760 -8.466986 3.768185 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521362 0.000000 3 O 1.400289 2.425815 0.000000 4 N 6.053440 6.995456 6.659205 0.000000 5 C 4.815633 5.833633 5.487511 1.378949 0.000000 6 C 3.595791 4.580580 4.256230 2.469092 1.396180 7 N 3.629728 4.384446 4.112528 3.162213 2.559203 8 C 2.557446 3.211583 3.016664 4.355066 3.508777 9 N 1.445178 2.478168 2.294269 4.668014 3.502903 10 C 2.487710 3.610340 3.319711 3.672542 2.361947 11 N 2.993440 4.130211 3.860546 4.163691 2.789624 12 C 4.290486 5.397981 5.092895 3.520507 2.287252 13 N 5.064973 6.145077 5.808083 2.304286 1.331787 14 H 1.080954 2.138846 2.040056 6.154307 4.820938 15 H 2.143226 1.087126 2.704842 7.973361 6.758828 16 H 2.151852 1.084237 3.351841 6.809036 5.669836 17 N 2.983304 3.173554 3.133216 5.547006 4.832956 18 H 2.155839 1.079322 2.688269 7.169227 6.134535 19 H 1.930557 2.597096 0.947448 7.546808 6.335085 20 C 4.195836 4.413933 4.125965 5.741021 5.296635 21 H 4.985321 6.061342 5.775680 4.335615 3.237490 22 C 6.387412 7.317027 6.804498 1.269419 2.286332 23 H 5.849068 6.806958 6.098033 2.066564 2.552137 24 N 7.687392 8.557799 8.072518 2.296764 3.549026 25 C 8.654341 9.473497 9.185086 2.774618 4.152603 26 C 8.275127 9.078711 8.505568 3.598088 4.698730 27 H 9.614160 10.473179 10.065860 3.739986 5.112939 28 H 8.473588 9.356644 9.067523 2.426582 3.742668 29 H 8.822305 9.484931 9.461028 3.200435 4.509212 30 H 9.220851 10.087373 9.386694 4.332707 5.497974 31 H 8.575195 9.216414 8.884435 4.115199 5.203774 32 H 7.717309 8.552705 7.802905 3.798081 4.654056 33 N 5.133336 5.078389 4.931443 6.991106 6.615617 34 H 4.751012 5.204677 4.671607 5.099860 4.856615 35 C 6.432076 6.491554 6.086023 7.579353 7.408087 36 C 5.126549 4.704520 4.919527 8.063803 7.528385 37 H 7.216984 7.102525 6.968000 8.249392 8.153989 38 H 6.707514 6.825690 6.140703 8.260990 8.023173 39 H 6.641558 6.891719 6.336341 6.920487 6.904122 40 H 6.169100 5.634783 5.985624 8.861124 8.421542 41 H 4.571688 3.922608 4.620431 7.821373 7.197161 42 H 5.010527 4.658090 4.542507 8.541031 7.901044 6 7 8 9 10 6 C 0.000000 7 N 1.386002 0.000000 8 C 2.126389 1.290481 0.000000 9 N 2.199993 2.230834 1.379251 0.000000 10 C 1.383672 2.266316 2.193304 1.371815 0.000000 11 N 2.409501 3.539274 3.481597 2.413505 1.316574 12 C 2.631850 3.990313 4.318400 3.514844 2.185621 13 N 2.336582 3.688912 4.395454 3.985509 2.632993 14 H 3.811949 4.206530 3.341966 2.006652 2.484351 15 H 5.542987 5.416524 4.224541 3.398103 4.456375 16 H 4.531934 4.465287 3.469669 2.724107 3.597809 17 N 3.474371 2.385522 1.372086 2.375881 3.494357 18 H 4.795441 4.279288 3.041824 2.783208 4.077574 19 H 5.139855 5.045611 3.921595 3.123679 4.100314 20 C 4.063579 2.750770 2.248273 3.486667 4.419686 21 H 3.706795 5.064270 5.338965 4.420975 3.162666 22 C 2.885511 3.058616 4.333444 4.966215 4.231677 23 H 2.649094 2.476064 3.682970 4.462791 3.957655 24 N 4.210176 4.229149 5.509822 6.258179 5.568442 25 C 5.080177 5.304870 6.593182 7.221601 6.385483 26 C 5.058442 4.707673 5.905678 6.875000 6.423081 27 H 6.047408 6.228415 7.518256 8.184575 7.356715 28 H 4.885419 5.388311 6.648950 7.078152 6.082141 29 H 5.327792 5.446380 6.704695 7.386590 6.627368 30 H 5.977457 5.709274 6.901360 7.833570 7.325070 31 H 5.456076 4.948759 6.106476 7.173019 6.827207 32 H 4.766943 4.245678 5.342205 6.375231 6.070829 33 N 5.392182 4.065758 3.514144 4.659049 5.699613 34 H 3.794893 2.459527 2.471306 3.799474 4.445441 35 C 6.312357 4.958288 4.658525 5.878517 6.799538 36 C 6.212078 4.988056 4.146269 5.021182 6.246332 37 H 7.084004 5.703369 5.433159 6.672686 7.605819 38 H 6.901459 5.607458 5.203357 6.310546 7.281991 39 H 5.946638 4.612709 4.588927 5.886242 6.621275 40 H 7.142864 5.871509 5.126037 6.051113 7.252018 41 H 5.863402 4.735583 3.798294 4.531651 5.781834 42 H 6.548329 5.415340 4.447675 5.139392 6.425649 11 12 13 14 15 11 N 0.000000 12 C 1.320654 0.000000 13 N 2.372611 1.317406 0.000000 14 H 2.470598 3.784424 4.778107 0.000000 15 H 4.769233 6.068671 6.948874 2.461694 0.000000 16 H 4.012512 5.182396 5.913823 2.465888 1.755475 17 N 4.727093 5.659179 5.765584 3.994441 4.103763 18 H 4.846050 6.068802 6.650659 3.039804 1.763772 19 H 4.447632 5.710312 6.546161 2.302694 2.473731 20 C 5.709167 6.497219 6.394888 5.197386 5.297578 21 H 2.036025 1.075271 2.031476 4.294537 6.607139 22 C 4.973807 4.534050 3.414542 6.669347 8.326295 23 H 4.878547 4.694492 3.780727 6.252490 7.802128 24 N 6.293522 5.764868 4.559528 8.004320 9.587483 25 C 6.933176 6.200640 4.906775 8.866429 10.506986 26 C 7.312453 6.950548 5.825363 8.742148 10.115080 27 H 7.890596 7.120723 5.815209 9.835602 11.503816 28 H 6.438343 5.554502 4.239443 8.555614 10.353962 29 H 7.225710 6.557361 5.305979 9.072948 10.541684 30 H 8.142516 7.688959 6.519737 9.655571 11.109661 31 H 7.787683 7.490707 6.384578 9.106666 10.278976 32 H 7.048551 6.845874 5.845193 8.255272 9.560227 33 N 6.970308 7.809801 7.726245 6.191600 5.835011 34 H 5.746565 6.347457 6.050904 5.659493 6.132841 35 C 8.088136 8.822199 8.598240 7.473480 7.224391 36 C 7.429184 8.423240 8.526745 6.203866 5.275759 37 H 8.906692 9.631171 9.372861 8.272027 7.826920 38 H 8.526736 9.313661 9.162435 7.745778 7.446264 39 H 7.916889 8.510519 8.145262 7.627618 7.708457 40 H 8.449533 9.416489 9.466089 7.240772 6.161100 41 H 6.910813 7.941149 8.120851 5.618669 4.523647 42 H 7.535349 8.605024 8.820116 6.073258 5.057980 16 17 18 19 20 16 H 0.000000 17 N 3.624762 0.000000 18 H 1.766388 2.561060 0.000000 19 H 3.581424 3.918958 2.947669 0.000000 20 C 4.865018 1.273998 3.695510 4.904443 0.000000 21 H 5.804438 6.656807 6.837624 6.278214 7.537355 22 C 7.255730 5.332530 7.320199 7.733357 5.246038 23 H 6.887873 4.565645 6.721703 7.036842 4.373958 24 N 8.474685 6.369305 8.487107 9.009472 6.088023 25 C 9.254065 7.524638 9.476262 10.108880 7.333132 26 C 9.094071 6.501487 8.847144 9.449232 5.941504 27 H 10.292905 8.401691 10.449931 10.992972 8.110108 28 H 9.093899 7.720585 9.482112 9.962135 7.694876 29 H 9.174946 7.563269 9.444757 10.384635 7.372912 30 H 10.126901 7.498786 9.869218 10.322706 6.897524 31 H 9.168660 6.571540 8.905535 9.829556 5.944645 32 H 8.685604 5.830475 8.267565 8.736304 5.180149 33 N 5.581926 2.299224 4.167515 5.567288 1.337713 34 H 5.596085 2.057633 4.611242 5.524700 1.078850 35 C 7.016965 3.602020 5.592320 6.720204 2.420184 36 C 5.258831 2.777589 3.663730 5.354340 2.418532 37 H 7.546809 4.332615 6.139501 7.572211 3.208740 38 H 7.482534 4.122665 5.934657 6.685684 3.048397 39 H 7.363340 3.794757 6.089837 7.064158 2.522596 40 H 6.117486 3.776916 4.567141 6.379968 3.268127 41 H 4.356815 2.497579 2.858693 5.037390 2.584917 42 H 5.394399 3.111294 3.664020 4.843870 2.906214 21 22 23 24 25 21 H 0.000000 22 C 5.419234 0.000000 23 H 5.659611 1.078166 0.000000 24 N 6.580886 1.345789 2.038024 0.000000 25 C 6.876642 2.424332 3.363919 1.447747 0.000000 26 C 7.830706 2.422076 2.541489 1.443100 2.466517 27 H 7.751976 3.262521 4.085989 2.072369 1.083844 28 H 6.114627 2.559123 3.610213 2.072097 1.077501 29 H 7.256270 2.949602 3.853654 2.104410 1.087408 30 H 8.505414 3.225197 3.403379 2.082221 2.722419 31 H 8.402510 3.034997 3.173188 2.104328 2.789154 32 H 7.778436 2.529273 2.176314 2.080055 3.381170 33 N 8.841320 6.410358 5.529097 7.117170 8.362001 34 H 7.409422 4.432106 3.504548 5.175082 6.479268 35 C 9.871541 6.789036 5.863413 7.279756 8.570149 36 C 9.401944 7.624700 6.782653 8.414962 9.611520 37 H 10.689121 7.446418 6.593144 7.830635 9.044422 38 H 10.336845 7.459479 6.468883 7.980129 9.327996 39 H 9.570971 6.017749 5.093440 6.394597 7.702804 40 H 10.406225 8.356643 7.534090 9.037123 10.206245 41 H 8.889286 7.536768 6.789672 8.404276 9.512107 42 H 9.541657 8.124263 7.221934 8.984393 10.238624 26 27 28 29 30 26 C 0.000000 27 H 2.621973 0.000000 28 H 3.356710 1.765888 0.000000 29 H 2.877475 1.763910 1.759257 0.000000 30 H 1.084393 2.427604 3.611318 3.276020 0.000000 31 H 1.087959 2.980041 3.795284 2.782443 1.760037 32 H 1.081973 3.617254 4.134351 3.829955 1.754787 33 N 6.771989 9.081988 8.820092 8.335494 7.683534 34 H 4.932007 7.190933 6.904601 6.587512 5.857367 35 C 6.656385 9.149847 9.160496 8.577463 7.444677 36 C 8.157466 10.387505 10.009589 9.530840 9.095816 37 H 7.128020 9.604157 9.700731 8.942056 7.907042 38 H 7.332128 9.868856 9.894202 9.423488 8.049216 39 H 5.673611 8.216654 8.342870 7.757823 6.415756 40 H 8.660615 10.944793 10.681271 10.056228 9.575510 41 H 8.307705 10.363409 9.834942 9.370385 9.304886 42 H 8.750344 11.004781 10.586670 10.248535 9.653966 31 32 33 34 35 31 H 0.000000 32 H 1.759549 0.000000 33 N 6.649867 5.981176 0.000000 34 H 4.991569 4.125766 2.041598 0.000000 35 C 6.496934 5.799240 1.445949 2.556169 0.000000 36 C 8.004586 7.397507 1.448786 3.367264 2.472797 37 H 6.814152 6.355855 2.084532 3.391914 1.083910 38 H 7.275526 6.394673 2.102629 3.217750 1.086835 39 H 5.542211 4.796361 2.081418 2.183673 1.081499 40 H 8.400016 7.923711 2.070499 4.092972 2.584326 41 H 8.133655 7.638415 2.076386 3.626641 3.347867 42 H 8.705504 7.917434 2.104487 3.840825 2.939476 36 37 38 39 40 36 C 0.000000 37 H 2.737261 0.000000 38 H 2.784154 1.760666 0.000000 39 H 3.385616 1.755149 1.758913 0.000000 40 H 1.082822 2.413900 2.886340 3.598622 0.000000 41 H 1.078119 3.571441 3.801230 4.128430 1.762182 42 H 1.086293 3.371546 2.854545 3.867355 1.764580 41 42 41 H 0.000000 42 H 1.758924 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487494 -2.268602 0.151063 2 6 0 3.473032 -2.134131 -1.000099 3 8 0 3.042271 -1.865784 1.372033 4 7 0 -3.254609 -0.386829 -0.211315 5 6 0 -2.222658 -1.289475 -0.063644 6 6 0 -0.861509 -0.978833 -0.073410 7 7 0 -0.147971 0.203180 -0.194692 8 6 0 1.093565 -0.147214 -0.160717 9 7 0 1.273259 -1.509791 -0.044842 10 6 0 0.012843 -2.046572 0.026535 11 7 0 -0.316630 -3.316194 0.140000 12 6 0 -1.626067 -3.487947 0.142077 13 7 0 -2.567231 -2.571574 0.041933 14 1 0 2.152615 -3.294146 0.218722 15 1 0 4.324062 -2.787345 -0.824306 16 1 0 3.006400 -2.438040 -1.930402 17 7 0 2.190264 0.671750 -0.256476 18 1 0 3.823128 -1.117040 -1.088950 19 1 0 3.797737 -2.404960 1.562346 20 6 0 2.006357 1.897973 0.036145 21 1 0 -1.968163 -4.503292 0.232918 22 6 0 -3.117928 0.792566 0.237874 23 1 0 -2.236953 1.125022 0.763040 24 7 0 -4.078557 1.729228 0.132982 25 6 0 -5.284019 1.460094 -0.622266 26 6 0 -3.795769 3.108015 0.451595 27 1 0 -6.098833 2.041723 -0.206933 28 1 0 -5.520017 0.410727 -0.557912 29 1 0 -5.164493 1.727067 -1.669594 30 1 0 -4.622415 3.540455 1.004370 31 1 0 -3.636882 3.703925 -0.444676 32 1 0 -2.907617 3.173120 1.066096 33 7 0 2.947676 2.837523 -0.107522 34 1 0 1.061911 2.255764 0.415518 35 6 0 2.778733 4.148526 0.478563 36 6 0 4.272876 2.482170 -0.572872 37 1 0 3.065421 4.914988 -0.232217 38 1 0 3.385636 4.265311 1.372565 39 1 0 1.742492 4.304152 0.746193 40 1 0 4.736857 3.357081 -1.010769 41 1 0 4.199311 1.707439 -1.319009 42 1 0 4.896512 2.123879 0.241216 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3207087 0.1995740 0.1280127 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.5801217061 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000003 -0.000036 0.000148 Ang= 0.02 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37962505 A.U. after 10 cycles NFock= 10 Conv=0.99D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000000550 -0.000075415 -0.000015272 2 6 0.000005435 0.000031443 0.000000237 3 8 0.000008342 0.000005058 -0.000015751 4 7 0.000013757 0.000006749 -0.000119570 5 6 0.000016380 0.000009420 0.000029490 6 6 -0.000000663 0.000050027 -0.000057344 7 7 0.000160225 -0.000023358 -0.000006985 8 6 -0.000143811 0.000075701 0.000064016 9 7 0.000081670 0.000224887 -0.000066809 10 6 -0.000052792 -0.000174781 0.000118431 11 7 -0.000024020 0.000253798 -0.000143148 12 6 0.000174202 -0.000288684 0.000128966 13 7 -0.000162574 0.000044144 0.000039152 14 1 -0.000020445 -0.000001593 -0.000002626 15 1 0.000004556 -0.000012947 0.000021073 16 1 -0.000001051 0.000006968 -0.000003382 17 7 -0.000039340 -0.000010441 -0.000029048 18 1 0.000002154 -0.000000093 -0.000006911 19 1 0.000010226 -0.000025641 -0.000001667 20 6 0.000063115 -0.000175742 -0.000132144 21 1 -0.000007885 0.000012867 0.000001856 22 6 -0.000005949 -0.000008588 -0.000084716 23 1 -0.000019082 0.000025989 0.000028294 24 7 0.000013907 0.000035816 0.000085247 25 6 0.000014756 -0.000004933 0.000010343 26 6 -0.000004166 -0.000015666 -0.000005807 27 1 0.000023793 -0.000003853 -0.000014414 28 1 0.000007058 0.000001415 0.000018267 29 1 -0.000027794 0.000011507 0.000002503 30 1 -0.000001778 -0.000015155 -0.000011293 31 1 -0.000012827 0.000009434 -0.000012465 32 1 -0.000003426 -0.000005552 0.000023296 33 7 -0.000089379 0.000113886 0.000176069 34 1 -0.000004876 -0.000000676 0.000061587 35 6 -0.000004885 -0.000066585 -0.000055490 36 6 0.000021184 -0.000020700 -0.000035260 37 1 0.000017318 0.000012944 -0.000006545 38 1 -0.000030444 -0.000022283 -0.000018429 39 1 0.000002766 0.000008315 0.000030280 40 1 -0.000002875 0.000005069 -0.000014868 41 1 0.000001120 0.000004563 0.000009679 42 1 0.000018647 0.000002683 0.000011157 ------------------------------------------------------------------- Cartesian Forces: Max 0.000288684 RMS 0.000068365 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000348195 RMS 0.000048486 Search for a local minimum. Step number 23 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 DE= -1.20D-05 DEPred=-9.44D-06 R= 1.27D+00 TightC=F SS= 1.41D+00 RLast= 9.27D-02 DXNew= 2.8153D+00 2.7802D-01 Trust test= 1.27D+00 RLast= 9.27D-02 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 0 1 0 Eigenvalues --- 0.00095 0.00146 0.00244 0.00403 0.00555 Eigenvalues --- 0.00802 0.01186 0.01200 0.01252 0.01490 Eigenvalues --- 0.01553 0.02060 0.02108 0.02158 0.02243 Eigenvalues --- 0.02325 0.02545 0.02582 0.02607 0.02657 Eigenvalues --- 0.02823 0.03192 0.03274 0.03407 0.03555 Eigenvalues --- 0.04694 0.05407 0.05534 0.05698 0.06131 Eigenvalues --- 0.06616 0.07394 0.07489 0.07575 0.07620 Eigenvalues --- 0.07666 0.07808 0.07934 0.08037 0.08397 Eigenvalues --- 0.15563 0.15821 0.15864 0.15959 0.15973 Eigenvalues --- 0.15985 0.15995 0.15999 0.16002 0.16007 Eigenvalues --- 0.16011 0.16020 0.16037 0.16065 0.16130 Eigenvalues --- 0.16262 0.16619 0.17340 0.17898 0.18583 Eigenvalues --- 0.20535 0.22270 0.22308 0.22957 0.23612 Eigenvalues --- 0.23880 0.24236 0.24310 0.24503 0.24899 Eigenvalues --- 0.24935 0.25065 0.25999 0.26378 0.27387 Eigenvalues --- 0.27732 0.32629 0.32842 0.32985 0.33243 Eigenvalues --- 0.33340 0.33415 0.33539 0.33560 0.33622 Eigenvalues --- 0.33639 0.33674 0.33691 0.33754 0.33773 Eigenvalues --- 0.33861 0.33910 0.34695 0.36200 0.37433 Eigenvalues --- 0.37712 0.39127 0.39438 0.39818 0.40033 Eigenvalues --- 0.40338 0.40542 0.40834 0.41850 0.42987 Eigenvalues --- 0.45882 0.47426 0.48542 0.50521 0.51355 Eigenvalues --- 0.53208 0.54752 0.59341 0.59806 0.65927 Eigenvalues --- 0.67041 0.70697 0.74196 0.76729 0.88115 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 19 18 17 16 15 14 RFO step: Lambda=-4.21644898D-06. DidBck=T Rises=F RFO-DIIS coefs: 0.62450 1.99652 -2.00000 0.13335 0.16573 RFO-DIIS coefs: 0.18950 -0.17778 -0.12036 0.09025 0.09829 Iteration 1 RMS(Cart)= 0.00599880 RMS(Int)= 0.00003743 Iteration 2 RMS(Cart)= 0.00002268 RMS(Int)= 0.00003461 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003461 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87496 0.00001 0.00005 -0.00006 -0.00001 2.87495 R2 2.64616 0.00002 0.00011 -0.00010 0.00001 2.64617 R3 2.73099 0.00004 0.00008 0.00007 0.00015 2.73114 R4 2.04271 -0.00002 0.00014 -0.00020 -0.00006 2.04265 R5 2.05437 0.00001 -0.00002 0.00005 0.00004 2.05441 R6 2.04891 0.00000 -0.00001 0.00002 0.00001 2.04892 R7 2.03962 -0.00000 0.00003 -0.00001 0.00002 2.03964 R8 1.79042 0.00002 0.00004 -0.00004 0.00000 1.79042 R9 2.60584 0.00003 -0.00004 -0.00008 -0.00012 2.60571 R10 2.39885 -0.00001 0.00021 -0.00002 0.00019 2.39905 R11 2.63840 0.00005 0.00016 -0.00006 0.00010 2.63850 R12 2.51671 -0.00007 0.00016 -0.00010 0.00006 2.51678 R13 2.61916 0.00003 0.00006 0.00001 0.00007 2.61924 R14 2.61476 0.00002 0.00009 0.00002 0.00011 2.61487 R15 2.43866 -0.00004 0.00003 -0.00025 -0.00022 2.43843 R16 2.60641 0.00008 0.00018 0.00012 0.00030 2.60670 R17 2.59287 0.00013 0.00005 -0.00006 -0.00001 2.59286 R18 2.59235 -0.00014 -0.00004 -0.00040 -0.00045 2.59191 R19 2.48797 0.00006 0.00003 0.00013 0.00016 2.48812 R20 2.49567 -0.00027 0.00000 -0.00044 -0.00044 2.49523 R21 2.48954 0.00011 -0.00005 0.00025 0.00020 2.48974 R22 2.03197 0.00000 -0.00001 0.00003 0.00002 2.03199 R23 2.40751 0.00005 0.00009 -0.00018 -0.00008 2.40742 R24 2.52791 0.00005 -0.00002 0.00029 0.00027 2.52818 R25 2.03873 -0.00004 0.00000 -0.00004 -0.00003 2.03870 R26 2.03744 -0.00003 0.00001 -0.00007 -0.00006 2.03738 R27 2.54317 -0.00002 -0.00049 0.00028 -0.00022 2.54295 R28 2.73584 0.00000 0.00003 -0.00001 0.00002 2.73586 R29 2.72706 0.00003 -0.00013 0.00015 0.00002 2.72708 R30 2.04817 -0.00001 -0.00008 0.00007 -0.00001 2.04816 R31 2.03618 0.00000 0.00003 -0.00001 0.00003 2.03621 R32 2.05490 0.00001 -0.00002 -0.00001 -0.00003 2.05487 R33 2.04921 0.00001 0.00006 -0.00002 0.00004 2.04924 R34 2.05594 -0.00000 -0.00007 0.00002 -0.00005 2.05590 R35 2.04463 0.00000 0.00002 -0.00001 0.00001 2.04464 R36 2.73245 0.00005 0.00009 0.00020 0.00028 2.73273 R37 2.73781 0.00001 0.00004 0.00000 0.00004 2.73785 R38 2.04829 -0.00002 0.00008 -0.00016 -0.00008 2.04821 R39 2.05382 0.00002 -0.00001 0.00005 0.00004 2.05386 R40 2.04374 -0.00002 -0.00007 0.00005 -0.00002 2.04372 R41 2.04624 -0.00001 -0.00007 0.00003 -0.00003 2.04620 R42 2.03735 0.00001 0.00003 0.00003 0.00006 2.03741 R43 2.05280 0.00000 0.00004 -0.00004 -0.00000 2.05279 A1 1.95810 0.00002 -0.00002 0.00027 0.00025 1.95835 A2 1.97719 -0.00004 -0.00009 -0.00033 -0.00043 1.97676 A3 1.90912 0.00001 -0.00012 0.00025 0.00014 1.90926 A4 1.87552 0.00002 0.00005 0.00008 0.00013 1.87565 A5 1.91887 -0.00001 0.00017 -0.00019 -0.00002 1.91885 A6 1.81970 0.00000 0.00003 -0.00012 -0.00009 1.81961 A7 1.90885 0.00003 0.00001 0.00035 0.00036 1.90920 A8 1.92374 -0.00001 0.00000 -0.00018 -0.00017 1.92357 A9 1.93447 -0.00001 -0.00001 -0.00009 -0.00010 1.93436 A10 1.88308 -0.00001 -0.00000 0.00003 0.00003 1.88312 A11 1.90245 -0.00001 0.00002 -0.00014 -0.00012 1.90233 A12 1.91039 0.00001 -0.00002 0.00003 0.00002 1.91041 A13 1.90429 0.00003 0.00001 0.00005 0.00006 1.90435 A14 2.08254 0.00017 0.00011 0.00039 0.00050 2.08304 A15 2.19345 0.00017 0.00023 0.00066 0.00089 2.19434 A16 2.03201 -0.00012 -0.00007 -0.00060 -0.00067 2.03134 A17 2.05668 -0.00004 -0.00016 -0.00006 -0.00022 2.05646 A18 2.33541 0.00007 -0.00000 0.00013 0.00013 2.33555 A19 2.03069 -0.00001 0.00010 0.00001 0.00011 2.03080 A20 1.91676 -0.00006 -0.00009 -0.00015 -0.00024 1.91652 A21 1.83530 0.00006 0.00009 0.00013 0.00021 1.83551 A22 1.97773 -0.00007 -0.00007 -0.00012 -0.00019 1.97754 A23 2.22066 0.00018 0.00005 0.00048 0.00053 2.22118 A24 2.08448 -0.00011 0.00003 -0.00035 -0.00032 2.08416 A25 2.26473 -0.00006 -0.00006 -0.00018 -0.00024 2.26450 A26 2.16453 0.00002 0.00001 0.00010 0.00013 2.16466 A27 1.84547 0.00004 -0.00002 0.00008 0.00007 1.84553 A28 1.84927 0.00004 0.00008 0.00007 0.00015 1.84942 A29 2.20463 -0.00001 -0.00003 -0.00006 -0.00008 2.20455 A30 2.22907 -0.00003 -0.00005 -0.00001 -0.00006 2.22900 A31 1.95376 0.00002 -0.00006 0.00009 0.00003 1.95379 A32 2.23668 0.00002 0.00014 -0.00007 0.00007 2.23675 A33 2.02459 0.00000 -0.00001 0.00012 0.00011 2.02470 A34 2.02190 -0.00002 -0.00013 -0.00005 -0.00018 2.02172 A35 2.08383 0.00003 0.00001 0.00008 0.00010 2.08393 A36 2.02983 0.00035 0.00035 0.00035 0.00070 2.03053 A37 2.15289 -0.00003 -0.00035 0.00022 -0.00013 2.15276 A38 2.12509 0.00004 0.00004 0.00005 0.00009 2.12518 A39 2.00518 -0.00000 0.00030 -0.00027 0.00003 2.00521 A40 2.14936 0.00004 0.00006 0.00008 0.00014 2.14950 A41 2.14385 -0.00005 -0.00046 0.00020 -0.00026 2.14359 A42 1.98953 0.00001 0.00042 -0.00028 0.00014 1.98967 A43 2.10090 -0.00002 -0.00081 0.00090 0.00034 2.10124 A44 2.10353 0.00001 0.00029 -0.00026 0.00026 2.10379 A45 2.04424 0.00001 0.00065 -0.00025 0.00062 2.04486 A46 1.90319 -0.00001 -0.00032 0.00039 0.00007 1.90326 A47 1.90949 -0.00000 -0.00004 0.00013 0.00009 1.90959 A48 1.94473 0.00002 0.00055 -0.00065 -0.00010 1.94462 A49 1.91248 -0.00000 -0.00002 0.00004 0.00002 1.91250 A50 1.89649 -0.00000 0.00018 -0.00020 -0.00002 1.89647 A51 1.89727 -0.00000 -0.00036 0.00030 -0.00006 1.89721 A52 1.92216 0.00001 0.00033 -0.00018 0.00015 1.92231 A53 1.94987 0.00000 -0.00025 0.00023 -0.00002 1.94985 A54 1.92169 0.00001 0.00008 -0.00008 -0.00000 1.92169 A55 1.88898 -0.00001 -0.00003 -0.00004 -0.00008 1.88890 A56 1.88835 -0.00001 0.00010 -0.00009 0.00000 1.88836 A57 1.89129 -0.00001 -0.00023 0.00016 -0.00006 1.89123 A58 2.10721 0.00002 0.00033 -0.00106 -0.00060 2.10661 A59 2.10119 -0.00004 -0.00058 -0.00014 -0.00061 2.10059 A60 2.04817 0.00002 0.00008 -0.00010 0.00010 2.04827 A61 1.92243 -0.00003 -0.00002 -0.00027 -0.00029 1.92214 A62 1.94507 0.00006 0.00016 0.00019 0.00035 1.94542 A63 1.92061 -0.00002 -0.00008 -0.00004 -0.00012 1.92048 A64 1.89202 -0.00001 -0.00003 0.00009 0.00006 1.89208 A65 1.89014 -0.00000 0.00010 -0.00021 -0.00011 1.89003 A66 1.89234 -0.00000 -0.00013 0.00025 0.00012 1.89246 A67 1.90038 -0.00002 -0.00014 0.00005 -0.00009 1.90030 A68 1.91361 -0.00000 0.00013 -0.00007 0.00007 1.91368 A69 1.94476 0.00003 0.00020 -0.00009 0.00011 1.94487 A70 1.90708 0.00000 -0.00008 0.00002 -0.00006 1.90702 A71 1.90030 0.00000 0.00005 0.00006 0.00010 1.90040 A72 1.89738 -0.00001 -0.00017 0.00004 -0.00013 1.89725 D1 1.09057 -0.00001 -0.00027 -0.00046 -0.00074 1.08983 D2 -3.12508 0.00000 -0.00027 -0.00032 -0.00059 -3.12567 D3 -1.00740 -0.00001 -0.00029 -0.00046 -0.00075 -1.00815 D4 -3.06522 0.00001 -0.00030 -0.00040 -0.00070 -3.06592 D5 -0.99768 0.00002 -0.00029 -0.00026 -0.00055 -0.99823 D6 1.11999 0.00001 -0.00032 -0.00040 -0.00071 1.11928 D7 -1.04359 -0.00001 -0.00039 -0.00059 -0.00098 -1.04457 D8 1.02395 -0.00000 -0.00039 -0.00044 -0.00083 1.02312 D9 -3.14156 -0.00001 -0.00041 -0.00058 -0.00099 3.14064 D10 -1.04664 -0.00001 -0.00147 0.00148 0.00001 -1.04663 D11 3.05213 0.00001 -0.00137 0.00166 0.00029 3.05242 D12 1.08197 0.00001 -0.00151 0.00185 0.00034 1.08230 D13 -1.10156 -0.00002 -0.00092 -0.00066 -0.00158 -1.10314 D14 2.19991 -0.00002 -0.00045 -0.00071 -0.00116 2.19875 D15 1.07136 -0.00001 -0.00098 -0.00048 -0.00146 1.06990 D16 -1.91036 0.00000 -0.00050 -0.00053 -0.00103 -1.91139 D17 3.10765 -0.00001 -0.00075 -0.00071 -0.00146 3.10619 D18 0.12593 0.00000 -0.00028 -0.00076 -0.00104 0.12490 D19 -0.57390 0.00005 0.00504 0.00284 0.00788 -0.56601 D20 2.61827 0.00006 0.00481 0.00306 0.00787 2.62614 D21 -0.03335 0.00002 0.00101 -0.00043 0.00058 -0.03277 D22 -3.14106 -0.00001 0.00024 -0.00055 -0.00031 -3.14136 D23 0.02248 0.00001 0.00022 -0.00010 0.00012 0.02260 D24 -3.08848 0.00000 -0.00019 -0.00002 -0.00021 -3.08869 D25 3.11286 -0.00000 0.00046 -0.00033 0.00012 3.11298 D26 0.00189 -0.00000 0.00005 -0.00025 -0.00020 0.00169 D27 3.10380 0.00001 -0.00000 0.00029 0.00029 3.10409 D28 0.00867 0.00001 -0.00022 0.00046 0.00024 0.00891 D29 -3.11818 -0.00000 -0.00025 0.00002 -0.00023 -3.11841 D30 -0.00577 0.00000 0.00014 -0.00006 0.00009 -0.00568 D31 3.11027 0.00000 0.00005 0.00017 0.00022 3.11049 D32 -0.01032 0.00000 0.00002 0.00005 0.00006 -0.01026 D33 -0.00783 0.00000 -0.00026 0.00023 -0.00003 -0.00786 D34 -3.12842 -0.00000 -0.00030 0.00011 -0.00019 -3.12861 D35 0.01773 -0.00000 0.00003 -0.00015 -0.00012 0.01761 D36 3.13166 0.00001 0.00049 -0.00007 0.00042 3.13208 D37 -3.02700 0.00001 0.00021 0.00024 0.00046 -3.02655 D38 -0.02293 0.00000 -0.00019 0.00029 0.00010 -0.02283 D39 0.13988 -0.00001 -0.00021 0.00016 -0.00005 0.13983 D40 -3.13923 -0.00002 -0.00061 0.00021 -0.00040 -3.13964 D41 0.38213 0.00000 -0.00030 -0.00009 -0.00039 0.38174 D42 -2.78863 0.00002 0.00019 -0.00001 0.00017 -2.78846 D43 3.03157 -0.00002 -0.00012 -0.00028 -0.00040 3.03116 D44 -0.13142 -0.00001 -0.00008 -0.00016 -0.00024 -0.13165 D45 0.01746 -0.00000 0.00027 -0.00030 -0.00004 0.01742 D46 3.13766 0.00000 0.00031 -0.00018 0.00013 3.13779 D47 0.00675 0.00000 0.00010 -0.00005 0.00004 0.00679 D48 -3.10932 -0.00000 0.00005 -0.00020 -0.00016 -3.10947 D49 0.00565 0.00000 -0.00031 0.00030 -0.00001 0.00565 D50 -3.14064 -0.00001 0.00038 -0.00053 -0.00015 -3.14079 D51 -0.01361 -0.00001 0.00039 -0.00053 -0.00014 -0.01375 D52 3.13267 0.00000 -0.00030 0.00030 -0.00000 3.13267 D53 -3.04797 0.00005 0.00001 0.00133 0.00133 -3.04664 D54 0.08467 -0.00001 -0.00058 0.00021 -0.00037 0.08430 D55 -2.92798 -0.00002 -0.00080 0.00329 0.00252 -2.92546 D56 -0.03865 -0.00004 0.00027 -0.00281 -0.00256 -0.04121 D57 0.22200 0.00004 -0.00025 0.00433 0.00411 0.22611 D58 3.11133 0.00002 0.00082 -0.00176 -0.00097 3.11036 D59 -0.10268 0.00001 0.00173 0.00032 0.00207 -0.10061 D60 -2.95708 -0.00000 -0.00180 -0.00123 -0.00305 -2.96013 D61 3.06996 -0.00001 0.00102 0.00021 0.00126 3.07122 D62 0.21556 -0.00003 -0.00251 -0.00134 -0.00386 0.21170 D63 2.64050 -0.00003 0.00723 -0.01029 -0.00308 2.63742 D64 0.54906 -0.00003 0.00747 -0.01065 -0.00320 0.54586 D65 -1.54937 -0.00003 0.00760 -0.01070 -0.00312 -1.55249 D66 -0.77881 -0.00002 0.01059 -0.00880 0.00181 -0.77700 D67 -2.87025 -0.00001 0.01083 -0.00916 0.00169 -2.86855 D68 1.31451 -0.00002 0.01096 -0.00921 0.00177 1.31628 D69 -2.41991 0.00002 0.00604 -0.00274 0.00324 -2.41667 D70 1.76346 0.00002 0.00603 -0.00272 0.00325 1.76672 D71 -0.33895 0.00003 0.00642 -0.00302 0.00335 -0.33560 D72 0.99983 0.00001 0.00270 -0.00443 -0.00167 0.99816 D73 -1.09997 0.00001 0.00269 -0.00440 -0.00166 -1.10163 D74 3.08080 0.00001 0.00308 -0.00471 -0.00157 3.07923 D75 -2.36778 -0.00001 0.00430 -0.00996 -0.00564 -2.37342 D76 1.81473 -0.00002 0.00425 -0.01001 -0.00575 1.80899 D77 -0.28511 -0.00004 0.00436 -0.01042 -0.00604 -0.29115 D78 1.01865 0.00002 0.00346 -0.00405 -0.00061 1.01804 D79 -1.08202 0.00001 0.00341 -0.00410 -0.00072 -1.08273 D80 3.10132 -0.00001 0.00352 -0.00451 -0.00101 3.10031 D81 2.73217 0.00001 0.00558 -0.00030 0.00529 2.73746 D82 0.64656 0.00002 0.00568 -0.00032 0.00537 0.65193 D83 -1.45476 0.00002 0.00567 -0.00026 0.00542 -1.44934 D84 -0.65337 -0.00001 0.00662 -0.00633 0.00028 -0.65310 D85 -2.73899 0.00000 0.00672 -0.00634 0.00036 -2.73863 D86 1.44288 -0.00000 0.00671 -0.00629 0.00041 1.44329 Item Value Threshold Converged? Maximum Force 0.000348 0.000450 YES RMS Force 0.000048 0.000300 YES Maximum Displacement 0.029740 0.001800 NO RMS Displacement 0.006001 0.001200 NO Predicted change in Energy=-1.474375D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.959022 -4.938488 2.053677 2 6 0 7.185477 -5.230337 3.529505 3 8 0 6.833795 -6.109302 1.295830 4 7 0 2.996632 -0.798510 0.101529 5 6 0 4.230916 -1.383948 0.288950 6 6 0 4.470099 -2.585518 0.958641 7 7 0 3.652808 -3.518647 1.577037 8 6 0 4.456241 -4.412225 2.047199 9 7 0 5.785153 -4.132983 1.804742 10 6 0 5.795004 -2.962529 1.089782 11 7 0 6.841420 -2.304635 0.636154 12 6 0 6.494102 -1.190077 0.019195 13 7 0 5.282916 -0.705863 -0.166288 14 1 0 7.776861 -4.340830 1.676397 15 1 0 8.120624 -5.771262 3.651093 16 1 0 7.261682 -4.303666 4.087229 17 7 0 4.122813 -5.538914 2.755722 18 1 0 6.380112 -5.826360 3.930879 19 1 0 7.627635 -6.619608 1.379879 20 6 0 2.929444 -5.962236 2.615627 21 1 0 7.300489 -0.600534 -0.378820 22 6 0 1.972035 -1.536028 -0.032464 23 1 0 2.017332 -2.613202 -0.036833 24 7 0 0.735308 -1.039464 -0.218928 25 6 0 0.501141 0.387626 -0.151273 26 6 0 -0.419936 -1.900966 -0.142828 27 1 0 -0.338440 0.638949 -0.788964 28 1 0 1.380345 0.911188 -0.488799 29 1 0 0.274396 0.705148 0.863709 30 1 0 -1.122540 -1.653883 -0.931021 31 1 0 -0.932054 -1.804244 0.812149 32 1 0 -0.122475 -2.933820 -0.266949 33 7 0 2.423951 -6.982649 3.317833 34 1 0 2.243953 -5.507830 1.917418 35 6 0 1.167516 -7.589560 2.938053 36 6 0 3.253388 -7.703976 4.261640 37 1 0 0.553509 -7.756325 3.815520 38 1 0 1.321016 -8.543435 2.440238 39 1 0 0.628507 -6.935919 2.265858 40 1 0 2.615690 -8.181181 4.995178 41 1 0 3.916781 -7.016100 4.760786 42 1 0 3.849331 -8.464859 3.765718 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521357 0.000000 3 O 1.400292 2.426018 0.000000 4 N 6.053993 6.995608 6.659931 0.000000 5 C 4.815763 5.833124 5.487965 1.378884 0.000000 6 C 3.595874 4.580141 4.256502 2.469644 1.396232 7 N 3.629626 4.384263 4.112086 3.163358 2.559359 8 C 2.557520 3.211739 3.016187 4.356033 3.508942 9 N 1.445259 2.477883 2.294445 4.668564 3.502923 10 C 2.487659 3.609518 3.320199 3.672942 2.362122 11 N 2.993390 4.129115 3.861440 4.163729 2.789794 12 C 4.290204 5.396664 5.093522 3.520285 2.287437 13 N 5.064848 6.144062 5.808629 2.303781 1.331820 14 H 1.080924 2.138917 2.040024 6.154578 4.820984 15 H 2.143495 1.087144 2.705081 7.973892 6.758873 16 H 2.151729 1.084243 3.351913 6.809007 5.668970 17 N 2.982861 3.173936 3.131461 5.548374 4.833259 18 H 2.155769 1.079331 2.688748 7.168761 6.133328 19 H 1.930599 2.597397 0.947449 7.547553 6.335611 20 C 4.195395 4.414144 4.124008 5.743629 5.297922 21 H 4.985127 6.059976 5.776572 4.335103 3.237582 22 C 6.387390 7.315430 6.805579 1.269522 2.286696 23 H 5.847861 6.802785 6.098936 2.066707 2.552872 24 N 7.687765 8.556801 8.073989 2.296592 3.549068 25 C 8.656415 9.475758 9.187311 2.774582 4.152528 26 C 8.276484 9.078163 8.508610 3.598340 4.699379 27 H 9.614643 10.474112 10.066092 3.739247 5.112047 28 H 8.473755 9.357599 9.067099 2.425683 3.741430 29 H 8.828979 9.492075 9.468324 3.201948 4.510955 30 H 9.220015 10.085160 9.386846 4.331904 5.497334 31 H 8.581023 9.220436 8.892462 4.117165 5.206404 32 H 7.716968 8.549457 7.804848 3.797913 4.654367 33 N 5.132597 5.078142 4.929295 6.994008 6.617001 34 H 4.751272 5.205236 4.670630 5.103104 4.858635 35 C 6.430539 6.490886 6.082333 7.583527 7.410248 36 C 5.123938 4.702790 4.915112 8.065848 7.528650 37 H 7.216294 7.102494 6.964446 8.256741 8.158873 38 H 6.703147 6.823124 6.133955 8.262028 8.022083 39 H 6.641548 6.892000 6.334812 6.925325 6.907235 40 H 6.167011 5.633705 5.980825 8.865481 8.423771 41 H 4.571667 3.922929 4.619217 7.823923 7.198412 42 H 5.003654 4.652719 4.533874 8.539688 7.897646 6 7 8 9 10 6 C 0.000000 7 N 1.386041 0.000000 8 C 2.126502 1.290364 0.000000 9 N 2.199978 2.230729 1.379409 0.000000 10 C 1.383730 2.266206 2.193298 1.371579 0.000000 11 N 2.409576 3.539256 3.481676 2.413329 1.316659 12 C 2.631806 3.990247 4.318324 3.514468 2.185516 13 N 2.336501 3.688928 4.395457 3.985267 2.632961 14 H 3.811951 4.206385 3.342022 2.006633 2.484269 15 H 5.542977 5.416397 4.224590 3.398146 4.456210 16 H 4.531339 4.465568 3.470449 2.723788 3.596455 17 N 3.474574 2.385725 1.372081 2.375790 3.494187 18 H 4.794310 4.278352 3.041268 2.782438 4.076238 19 H 5.140171 5.045204 3.921173 3.123868 4.100844 20 C 4.064659 2.751918 2.248722 3.486943 4.420168 21 H 3.706760 5.064222 5.338943 4.420677 3.162641 22 C 2.885142 3.057167 4.332296 4.965820 4.231954 23 H 2.647225 2.469654 3.678036 4.460673 3.957536 24 N 4.210180 4.228906 5.509645 6.258277 5.568790 25 C 5.081744 5.308392 6.596565 7.223758 6.386606 26 C 5.059080 4.707661 5.905907 6.875904 6.424307 27 H 6.047591 6.230058 7.519783 8.185171 7.356593 28 H 4.885551 5.390288 6.650650 7.078582 6.081678 29 H 5.333049 5.455543 6.713865 7.393341 6.631747 30 H 5.976318 5.707157 6.899350 7.832404 7.324521 31 H 5.460321 4.954310 6.112335 7.178379 6.831692 32 H 4.766038 4.242059 5.339063 6.374163 6.071087 33 N 5.393262 4.066911 3.514511 4.659154 5.699963 34 H 3.796695 2.461215 2.472127 3.800394 4.446741 35 C 6.313918 4.959976 4.658839 5.878340 6.799938 36 C 6.211989 4.988347 4.145627 5.019778 6.245143 37 H 7.087926 5.707396 5.435189 6.673974 7.608114 38 H 6.899901 5.606323 5.201058 6.307492 7.279204 39 H 5.949171 4.615043 4.590031 5.887281 6.622966 40 H 7.144503 5.873545 5.126718 6.050809 7.252206 41 H 5.864514 4.736889 3.799307 4.532259 5.782338 42 H 6.544592 5.412389 4.443589 5.134002 6.420429 11 12 13 14 15 11 N 0.000000 12 C 1.320420 0.000000 13 N 2.372535 1.317512 0.000000 14 H 2.470475 3.784050 4.777891 0.000000 15 H 4.769038 6.068238 6.948615 2.462465 0.000000 16 H 4.010320 5.180012 5.912031 2.465543 1.755515 17 N 4.726939 5.658974 5.765620 3.994047 4.103433 18 H 4.844643 6.067074 6.649068 3.039802 1.763717 19 H 4.448624 5.711057 6.546810 2.302828 2.474094 20 C 5.709634 6.497827 6.395885 5.196976 5.296886 21 H 2.035897 1.075284 2.031469 4.294260 6.606758 22 C 4.974809 4.535576 3.415995 6.669567 8.325319 23 H 4.880569 4.697861 3.784011 6.252362 7.798994 24 N 6.294158 5.765683 4.560132 8.004670 9.586963 25 C 6.933070 6.199499 4.905234 8.867625 10.509349 26 C 7.314168 6.952377 5.826778 8.743569 10.115048 27 H 7.889616 7.119135 5.813423 9.835360 11.504810 28 H 6.436643 5.551926 4.236617 8.554951 10.354960 29 H 7.227474 6.556663 5.304443 9.077959 10.548776 30 H 8.142737 7.689685 6.520232 9.654928 11.107864 31 H 7.791551 7.493582 6.386676 9.111882 10.283375 32 H 7.050340 6.848475 5.847408 8.255651 9.557761 33 N 6.970599 7.810316 7.727278 6.190893 5.833575 34 H 5.747939 6.349017 6.052770 5.659775 6.132722 35 C 8.088409 8.823017 8.599926 7.471911 7.222211 36 C 7.427719 8.422081 8.526378 6.201293 5.272393 37 H 8.908823 9.634228 9.377159 8.271533 7.824879 38 H 8.523626 9.310969 9.160686 7.741012 7.442162 39 H 7.918650 8.512779 8.148157 7.627641 7.707601 40 H 8.449360 9.416902 9.467588 7.238804 6.157806 41 H 6.911151 7.941525 8.121667 5.618784 4.522536 42 H 7.529616 8.599634 8.815773 6.066165 5.050994 16 17 18 19 20 16 H 0.000000 17 N 3.626465 0.000000 18 H 1.766411 2.561058 0.000000 19 H 3.581516 3.917221 2.948416 0.000000 20 C 4.866699 1.273954 3.695330 4.902266 0.000000 21 H 5.801749 6.656619 6.835924 6.279276 7.537944 22 C 7.253417 5.331316 7.317526 7.734553 5.245983 23 H 6.882497 4.559738 6.715726 7.038030 4.368469 24 N 8.472991 6.369363 8.485228 9.011014 6.089550 25 C 9.256243 7.529343 9.478391 10.111018 7.339833 26 C 9.092503 6.501756 8.845590 9.452387 5.943176 27 H 10.294103 8.404378 10.450650 10.993129 8.114552 28 H 9.095321 7.723462 9.482920 9.961600 7.699424 29 H 9.181583 7.574849 9.452402 10.391757 7.387321 30 H 10.124197 7.496617 9.865973 10.322996 6.896317 31 H 9.171182 6.578520 8.909078 9.837598 5.954209 32 H 8.681078 5.826279 8.262698 8.738494 5.176365 33 N 5.583240 2.299233 4.167018 5.564692 1.337856 34 H 5.597830 2.057629 4.611215 5.523498 1.078832 35 C 7.018302 3.601690 5.591577 6.715791 2.420027 36 C 5.259178 2.776901 3.662137 5.349246 2.418255 37 H 7.549455 4.333591 6.139005 7.567545 3.209917 38 H 7.481961 4.120284 5.932872 6.678242 3.046373 39 H 7.365132 3.794965 6.089694 7.062068 2.522837 40 H 6.119211 3.777322 4.566048 6.374048 3.268704 41 H 4.358824 2.498961 2.858711 5.035690 2.585956 42 H 5.391015 3.107416 3.659755 4.834538 2.903794 21 22 23 24 25 21 H 0.000000 22 C 5.421028 0.000000 23 H 5.663880 1.078135 0.000000 24 N 6.581780 1.345674 2.037988 0.000000 25 C 6.874545 2.424477 3.364060 1.447756 0.000000 26 C 7.832738 2.422165 2.541415 1.443110 2.467003 27 H 7.749695 3.262071 4.085566 2.072425 1.083840 28 H 6.111097 2.558750 3.609896 2.072184 1.077516 29 H 7.253597 2.950927 3.854899 2.104332 1.087392 30 H 8.506579 3.224544 3.402743 2.082351 2.722518 31 H 8.404885 3.036287 3.173966 2.104306 2.790434 32 H 7.781846 2.528987 2.175896 2.080068 3.381461 33 N 8.841791 6.410491 5.523694 7.119104 8.369758 34 H 7.410994 4.432967 3.499904 5.177479 6.486392 35 C 9.872258 6.790910 5.859716 7.284030 8.580413 36 C 9.400627 7.623960 6.776480 8.416171 9.618871 37 H 10.692034 7.450590 6.590533 7.837477 9.058815 38 H 10.333967 7.459345 6.464395 7.982719 9.335522 39 H 9.573232 6.020480 5.090885 6.399512 7.713175 40 H 10.406412 8.357603 7.528716 9.040291 10.216738 41 H 8.889574 7.535812 6.783109 8.404731 9.518933 42 H 9.536000 8.121522 7.215088 8.983932 10.243031 26 27 28 29 30 26 C 0.000000 27 H 2.622079 0.000000 28 H 3.356921 1.765909 0.000000 29 H 2.878722 1.763881 1.759220 0.000000 30 H 1.084412 2.427359 3.611036 3.276814 0.000000 31 H 1.087934 2.980793 3.796475 2.784820 1.759981 32 H 1.081978 3.617156 4.134219 3.831185 1.754810 33 N 6.774022 9.087647 8.825657 8.351379 7.682844 34 H 4.934612 7.195565 6.909377 6.602314 5.856602 35 C 6.661226 9.157888 9.167951 8.596670 7.446230 36 C 8.158895 10.392989 10.014789 9.546397 9.094838 37 H 7.134518 9.616521 9.712703 8.965914 7.910662 38 H 7.336589 9.874093 9.898114 9.440187 8.049985 39 H 5.679063 8.224692 8.350478 7.776717 6.417640 40 H 8.663442 10.953441 10.689773 10.075591 9.576002 41 H 8.307655 10.368529 9.840403 9.384660 9.302945 42 H 8.751460 11.007355 10.588062 10.261132 9.652369 31 32 33 34 35 31 H 0.000000 32 H 1.759492 0.000000 33 N 6.660113 5.977287 0.000000 34 H 5.002519 4.122738 2.041728 0.000000 35 C 6.511340 5.797588 1.446099 2.556171 0.000000 36 C 8.013972 7.393169 1.448809 3.367104 2.473021 37 H 6.830403 6.354531 2.084423 3.393541 1.083866 38 H 7.289972 6.393771 2.103020 3.215595 1.086858 39 H 5.557222 4.795403 2.081455 2.184151 1.081491 40 H 8.411275 7.919743 2.070442 4.093605 2.584373 41 H 8.140416 7.632740 2.076481 3.627392 3.348084 42 H 8.714872 7.913914 2.104580 3.838941 2.939950 36 37 38 39 40 36 C 0.000000 37 H 2.736989 0.000000 38 H 2.785006 1.760685 0.000000 39 H 3.385713 1.755033 1.759000 0.000000 40 H 1.082803 2.413438 2.887062 3.598438 0.000000 41 H 1.078151 3.571143 3.802064 4.128418 1.762156 42 H 1.086291 3.371490 2.855775 3.867937 1.764629 41 42 41 H 0.000000 42 H 1.758866 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.486643 -2.268909 0.149946 2 6 0 3.470495 -2.135379 -1.002761 3 8 0 3.043004 -1.865468 1.369993 4 7 0 -3.256057 -0.386228 -0.207459 5 6 0 -2.223495 -1.288325 -0.061316 6 6 0 -0.862207 -0.978096 -0.072125 7 7 0 -0.148227 0.203711 -0.193269 8 6 0 1.093144 -0.146939 -0.160395 9 7 0 1.272383 -1.509796 -0.045236 10 6 0 0.012050 -2.046092 0.026709 11 7 0 -0.317714 -3.315745 0.139957 12 6 0 -1.626959 -3.487138 0.142968 13 7 0 -2.568107 -2.570479 0.043886 14 1 0 2.151411 -3.294230 0.218735 15 1 0 4.322189 -2.787971 -0.827763 16 1 0 3.002449 -2.440410 -1.931993 17 7 0 2.190383 0.671313 -0.255992 18 1 0 3.820016 -1.118219 -1.093183 19 1 0 3.798640 -2.404614 1.559719 20 6 0 2.008302 1.897606 0.037284 21 1 0 -1.969356 -4.502419 0.233546 22 6 0 -3.116875 0.795764 0.234367 23 1 0 -2.232687 1.131541 0.751901 24 7 0 -4.078282 1.731477 0.129603 25 6 0 -5.289215 1.457268 -0.615008 26 6 0 -3.795445 3.111621 0.442285 27 1 0 -6.101655 2.039553 -0.195967 28 1 0 -5.523197 0.407842 -0.544306 29 1 0 -5.178163 1.719811 -1.664369 30 1 0 -4.618999 3.544628 0.999254 31 1 0 -3.643382 3.705090 -0.456754 32 1 0 -2.903290 3.179851 1.050629 33 7 0 2.950581 2.836173 -0.107838 34 1 0 1.064471 2.256655 0.416948 35 6 0 2.784840 4.146132 0.481857 36 6 0 4.275246 2.478038 -0.572650 37 1 0 3.075332 4.913482 -0.226348 38 1 0 3.390337 4.258641 1.377387 39 1 0 1.748544 4.304376 0.747699 40 1 0 4.742466 3.352854 -1.007235 41 1 0 4.200217 1.705893 -1.321365 42 1 0 4.896764 2.115105 0.240998 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3208869 0.1994514 0.1279693 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.5353844540 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000088 -0.000077 0.000220 Ang= 0.03 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37962763 A.U. after 10 cycles NFock= 10 Conv=0.53D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000024497 -0.000035097 -0.000008838 2 6 0.000014923 0.000000031 0.000009449 3 8 -0.000008177 0.000025190 0.000001830 4 7 0.000034174 0.000042090 -0.000094406 5 6 0.000026262 0.000114707 0.000024240 6 6 0.000082416 -0.000057828 -0.000004231 7 7 0.000019828 0.000010948 0.000015862 8 6 0.000080466 -0.000002617 -0.000036539 9 7 -0.000008978 0.000013652 0.000016005 10 6 -0.000098799 0.000002941 -0.000006998 11 7 0.000017371 0.000063475 -0.000033388 12 6 0.000038636 -0.000069681 0.000031000 13 7 -0.000083822 -0.000030164 0.000025762 14 1 0.000008342 0.000001234 0.000002202 15 1 0.000001495 0.000002347 -0.000001474 16 1 -0.000000021 -0.000002029 -0.000000713 17 7 -0.000067429 -0.000045774 0.000017037 18 1 0.000002843 0.000002788 -0.000002297 19 1 0.000012634 -0.000013338 0.000005171 20 6 0.000047827 0.000001420 0.000022949 21 1 -0.000006827 0.000004187 0.000001134 22 6 -0.000055390 -0.000053452 -0.000063705 23 1 -0.000027728 0.000045317 0.000003801 24 7 0.000073816 -0.000007642 0.000004173 25 6 -0.000010285 -0.000007126 0.000047533 26 6 -0.000015306 0.000015254 0.000011924 27 1 0.000014147 -0.000004091 -0.000017961 28 1 0.000001185 -0.000026575 0.000020338 29 1 -0.000036517 0.000013076 0.000002482 30 1 0.000007356 -0.000012252 -0.000016238 31 1 -0.000010891 0.000020287 -0.000006209 32 1 0.000002238 0.000008433 0.000028360 33 7 -0.000075773 0.000050365 0.000017048 34 1 -0.000003998 -0.000023877 -0.000002266 35 6 0.000051792 -0.000033676 0.000003169 36 6 0.000006829 -0.000018801 -0.000010404 37 1 0.000012119 0.000005027 0.000000826 38 1 -0.000020533 -0.000014296 -0.000016593 39 1 -0.000000482 0.000009264 0.000016699 40 1 -0.000004622 0.000003777 -0.000015980 41 1 -0.000012822 0.000005105 0.000000238 42 1 0.000016195 -0.000002600 0.000009005 ------------------------------------------------------------------- Cartesian Forces: Max 0.000114707 RMS 0.000032387 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000161295 RMS 0.000030153 Search for a local minimum. Step number 24 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 DE= -2.58D-06 DEPred=-1.47D-06 R= 1.75D+00 TightC=F SS= 1.41D+00 RLast= 2.19D-02 DXNew= 2.8153D+00 6.5685D-02 Trust test= 1.75D+00 RLast= 2.19D-02 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 0 1 0 Eigenvalues --- 0.00093 0.00134 0.00242 0.00389 0.00486 Eigenvalues --- 0.00724 0.00961 0.01197 0.01248 0.01490 Eigenvalues --- 0.01567 0.02061 0.02109 0.02154 0.02255 Eigenvalues --- 0.02323 0.02548 0.02585 0.02605 0.02676 Eigenvalues --- 0.02828 0.03199 0.03283 0.03438 0.03789 Eigenvalues --- 0.04930 0.05435 0.05540 0.05702 0.06128 Eigenvalues --- 0.06625 0.07393 0.07488 0.07575 0.07615 Eigenvalues --- 0.07667 0.07808 0.07931 0.08048 0.08406 Eigenvalues --- 0.15550 0.15813 0.15887 0.15954 0.15970 Eigenvalues --- 0.15986 0.15999 0.15999 0.16004 0.16007 Eigenvalues --- 0.16010 0.16021 0.16037 0.16088 0.16163 Eigenvalues --- 0.16280 0.16631 0.17360 0.17931 0.18628 Eigenvalues --- 0.20419 0.22281 0.22373 0.22979 0.23618 Eigenvalues --- 0.24148 0.24245 0.24469 0.24875 0.24933 Eigenvalues --- 0.24989 0.25354 0.26119 0.26270 0.27429 Eigenvalues --- 0.27734 0.32748 0.32857 0.33149 0.33297 Eigenvalues --- 0.33342 0.33408 0.33541 0.33578 0.33629 Eigenvalues --- 0.33643 0.33671 0.33692 0.33764 0.33775 Eigenvalues --- 0.33863 0.33994 0.34695 0.35903 0.37408 Eigenvalues --- 0.37579 0.39199 0.39638 0.40019 0.40175 Eigenvalues --- 0.40533 0.40664 0.41081 0.41857 0.42887 Eigenvalues --- 0.45694 0.46520 0.48174 0.50993 0.51554 Eigenvalues --- 0.53592 0.54800 0.59234 0.60128 0.62889 Eigenvalues --- 0.66606 0.70889 0.74210 0.77412 0.85432 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 19 18 17 16 15 RFO step: Lambda=-3.77141509D-06. DIIS inversion failure, remove point 10. RFO-DIIS uses 9 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 2.63272 -1.47854 -2.00000 2.59217 -0.72241 RFO-DIIS coefs: -0.07448 -0.00912 0.07942 -0.01976 0.00000 Iteration 1 RMS(Cart)= 0.00855827 RMS(Int)= 0.00003038 Iteration 2 RMS(Cart)= 0.00004563 RMS(Int)= 0.00000536 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000536 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87495 0.00001 0.00003 -0.00005 -0.00001 2.87493 R2 2.64617 -0.00001 -0.00009 -0.00002 -0.00010 2.64607 R3 2.73114 0.00002 0.00010 0.00011 0.00021 2.73135 R4 2.04265 0.00001 -0.00007 0.00007 -0.00001 2.04264 R5 2.05441 -0.00000 0.00004 -0.00001 0.00003 2.05444 R6 2.04892 -0.00000 0.00003 -0.00005 -0.00002 2.04890 R7 2.03964 -0.00000 0.00000 0.00005 0.00005 2.03969 R8 1.79042 0.00002 0.00002 -0.00002 0.00000 1.79042 R9 2.60571 0.00005 -0.00004 0.00001 -0.00003 2.60568 R10 2.39905 0.00005 0.00003 0.00018 0.00021 2.39925 R11 2.63850 0.00013 0.00017 0.00031 0.00048 2.63898 R12 2.51678 -0.00008 -0.00028 0.00012 -0.00016 2.51661 R13 2.61924 0.00004 0.00007 0.00006 0.00013 2.61936 R14 2.61487 -0.00003 -0.00005 0.00006 0.00001 2.61488 R15 2.43843 0.00005 -0.00025 0.00005 -0.00019 2.43824 R16 2.60670 -0.00003 0.00027 -0.00014 0.00013 2.60683 R17 2.59286 0.00009 0.00009 -0.00004 0.00005 2.59291 R18 2.59191 0.00002 -0.00053 0.00016 -0.00037 2.59154 R19 2.48812 0.00003 0.00030 -0.00006 0.00024 2.48836 R20 2.49523 -0.00008 -0.00065 0.00012 -0.00053 2.49470 R21 2.48974 0.00001 0.00049 -0.00044 0.00005 2.48978 R22 2.03199 -0.00000 0.00004 -0.00004 -0.00000 2.03199 R23 2.40742 -0.00001 -0.00018 -0.00014 -0.00032 2.40710 R24 2.52818 0.00001 0.00038 0.00013 0.00051 2.52869 R25 2.03870 -0.00001 -0.00005 0.00007 0.00003 2.03872 R26 2.03738 -0.00005 -0.00012 -0.00005 -0.00016 2.03722 R27 2.54295 -0.00003 0.00009 -0.00021 -0.00012 2.54283 R28 2.73586 -0.00002 -0.00005 -0.00010 -0.00015 2.73571 R29 2.72708 -0.00000 0.00012 -0.00021 -0.00009 2.72699 R30 2.04816 -0.00000 0.00003 0.00009 0.00012 2.04828 R31 2.03621 -0.00002 0.00001 -0.00021 -0.00019 2.03602 R32 2.05487 0.00001 0.00004 0.00006 0.00010 2.05497 R33 2.04924 0.00000 0.00009 -0.00004 0.00005 2.04930 R34 2.05590 0.00000 -0.00003 0.00001 -0.00002 2.05588 R35 2.04464 -0.00001 -0.00000 -0.00003 -0.00003 2.04461 R36 2.73273 -0.00002 0.00017 0.00002 0.00019 2.73292 R37 2.73785 -0.00000 0.00007 -0.00006 0.00001 2.73786 R38 2.04821 -0.00001 -0.00008 -0.00006 -0.00014 2.04807 R39 2.05386 0.00002 0.00010 0.00003 0.00013 2.05399 R40 2.04372 -0.00000 0.00001 0.00000 0.00001 2.04373 R41 2.04620 -0.00001 0.00000 -0.00005 -0.00004 2.04616 R42 2.03741 -0.00000 0.00011 -0.00015 -0.00004 2.03737 R43 2.05279 0.00001 -0.00003 0.00012 0.00009 2.05288 A1 1.95835 -0.00000 0.00032 -0.00015 0.00016 1.95851 A2 1.97676 0.00002 -0.00031 -0.00007 -0.00038 1.97638 A3 1.90926 -0.00001 0.00005 -0.00003 0.00002 1.90928 A4 1.87565 -0.00001 0.00003 0.00006 0.00009 1.87573 A5 1.91885 0.00000 0.00009 -0.00015 -0.00006 1.91879 A6 1.81961 -0.00000 -0.00020 0.00037 0.00017 1.81978 A7 1.90920 -0.00000 0.00020 0.00012 0.00033 1.90953 A8 1.92357 0.00000 -0.00015 -0.00004 -0.00018 1.92339 A9 1.93436 -0.00000 0.00003 -0.00012 -0.00009 1.93427 A10 1.88312 -0.00000 0.00003 -0.00001 0.00002 1.88314 A11 1.90233 0.00000 -0.00009 0.00002 -0.00007 1.90226 A12 1.91041 0.00000 -0.00003 0.00002 -0.00000 1.91040 A13 1.90435 0.00000 0.00011 -0.00006 0.00005 1.90440 A14 2.08304 0.00016 0.00049 0.00051 0.00100 2.08404 A15 2.19434 0.00015 0.00072 0.00044 0.00116 2.19550 A16 2.03134 -0.00011 -0.00056 -0.00030 -0.00086 2.03048 A17 2.05646 -0.00004 -0.00015 -0.00012 -0.00027 2.05619 A18 2.33555 0.00006 0.00017 0.00011 0.00029 2.33583 A19 2.03080 -0.00001 0.00004 0.00002 0.00006 2.03086 A20 1.91652 -0.00004 -0.00020 -0.00014 -0.00034 1.91618 A21 1.83551 0.00003 0.00018 0.00002 0.00020 1.83571 A22 1.97754 -0.00003 -0.00022 0.00012 -0.00010 1.97744 A23 2.22118 0.00004 0.00048 -0.00016 0.00032 2.22150 A24 2.08416 -0.00001 -0.00025 0.00001 -0.00024 2.08392 A25 2.26450 -0.00001 -0.00026 -0.00006 -0.00032 2.26417 A26 2.16466 0.00000 0.00015 0.00018 0.00033 2.16499 A27 1.84553 0.00001 0.00008 -0.00014 -0.00006 1.84548 A28 1.84942 0.00004 0.00016 0.00013 0.00029 1.84971 A29 2.20455 0.00001 -0.00005 -0.00006 -0.00011 2.20444 A30 2.22900 -0.00004 -0.00012 -0.00006 -0.00018 2.22882 A31 1.95379 -0.00000 0.00006 -0.00004 0.00001 1.95380 A32 2.23675 0.00001 -0.00006 0.00021 0.00015 2.23690 A33 2.02470 0.00000 0.00019 -0.00002 0.00018 2.02488 A34 2.02172 -0.00001 -0.00014 -0.00019 -0.00033 2.02139 A35 2.08393 0.00004 0.00016 -0.00001 0.00015 2.08408 A36 2.03053 0.00013 0.00081 -0.00025 0.00057 2.03110 A37 2.15276 -0.00002 -0.00011 0.00015 0.00004 2.15279 A38 2.12518 0.00003 0.00025 -0.00010 0.00015 2.12533 A39 2.00521 -0.00001 -0.00014 -0.00005 -0.00019 2.00502 A40 2.14950 0.00005 0.00028 -0.00007 0.00021 2.14971 A41 2.14359 -0.00005 -0.00017 0.00025 0.00009 2.14368 A42 1.98967 0.00000 -0.00009 -0.00020 -0.00029 1.98938 A43 2.10124 0.00002 0.00064 0.00049 0.00109 2.10233 A44 2.10379 0.00005 0.00016 0.00016 0.00030 2.10409 A45 2.04486 -0.00007 -0.00007 -0.00051 -0.00061 2.04425 A46 1.90326 -0.00001 0.00007 0.00021 0.00029 1.90354 A47 1.90959 -0.00003 -0.00004 -0.00038 -0.00042 1.90917 A48 1.94462 0.00003 -0.00022 0.00013 -0.00008 1.94454 A49 1.91250 0.00001 0.00006 0.00003 0.00008 1.91258 A50 1.89647 -0.00001 -0.00010 -0.00016 -0.00026 1.89620 A51 1.89721 0.00001 0.00023 0.00017 0.00040 1.89761 A52 1.92231 0.00000 0.00021 -0.00019 0.00001 1.92232 A53 1.94985 -0.00001 -0.00014 -0.00005 -0.00019 1.94966 A54 1.92169 -0.00000 0.00004 0.00006 0.00010 1.92179 A55 1.88890 0.00000 -0.00010 0.00004 -0.00006 1.88884 A56 1.88836 0.00000 0.00001 0.00010 0.00011 1.88847 A57 1.89123 0.00000 -0.00002 0.00005 0.00003 1.89126 A58 2.10661 0.00004 -0.00055 -0.00034 -0.00092 2.10569 A59 2.10059 -0.00002 -0.00051 -0.00023 -0.00077 2.09982 A60 2.04827 -0.00002 -0.00037 -0.00010 -0.00051 2.04777 A61 1.92214 -0.00002 -0.00036 -0.00029 -0.00064 1.92150 A62 1.94542 0.00004 0.00037 0.00040 0.00077 1.94619 A63 1.92048 -0.00001 -0.00020 0.00006 -0.00014 1.92034 A64 1.89208 -0.00000 0.00014 -0.00008 0.00006 1.89214 A65 1.89003 0.00000 -0.00020 -0.00005 -0.00024 1.88978 A66 1.89246 -0.00000 0.00024 -0.00005 0.00018 1.89264 A67 1.90030 -0.00002 -0.00016 -0.00005 -0.00021 1.90009 A68 1.91368 -0.00001 0.00005 -0.00021 -0.00016 1.91351 A69 1.94487 0.00003 0.00011 0.00025 0.00035 1.94522 A70 1.90702 0.00001 -0.00005 0.00001 -0.00004 1.90697 A71 1.90040 0.00000 0.00009 0.00002 0.00010 1.90050 A72 1.89725 -0.00000 -0.00002 -0.00002 -0.00004 1.89721 D1 1.08983 -0.00000 0.00045 -0.00167 -0.00122 1.08861 D2 -3.12567 -0.00000 0.00052 -0.00162 -0.00111 -3.12678 D3 -1.00815 -0.00000 0.00041 -0.00170 -0.00129 -1.00945 D4 -3.06592 0.00000 0.00049 -0.00176 -0.00127 -3.06719 D5 -0.99823 0.00000 0.00056 -0.00171 -0.00115 -0.99939 D6 1.11928 0.00000 0.00045 -0.00179 -0.00134 1.11794 D7 -1.04457 0.00000 0.00008 -0.00136 -0.00127 -1.04584 D8 1.02312 0.00000 0.00015 -0.00131 -0.00116 1.02196 D9 3.14064 0.00000 0.00004 -0.00139 -0.00134 3.13929 D10 -1.04663 0.00001 0.00077 0.00088 0.00166 -1.04498 D11 3.05242 -0.00000 0.00094 0.00103 0.00197 3.05439 D12 1.08230 -0.00000 0.00112 0.00064 0.00175 1.08406 D13 -1.10314 -0.00001 -0.00166 -0.00015 -0.00181 -1.10495 D14 2.19875 -0.00001 -0.00130 -0.00006 -0.00136 2.19738 D15 1.06990 -0.00000 -0.00144 -0.00035 -0.00179 1.06811 D16 -1.91139 0.00000 -0.00109 -0.00026 -0.00135 -1.91274 D17 3.10619 -0.00000 -0.00143 -0.00031 -0.00174 3.10445 D18 0.12490 0.00000 -0.00107 -0.00022 -0.00129 0.12360 D19 -0.56601 0.00002 0.00558 0.00262 0.00820 -0.55782 D20 2.62614 0.00001 0.00545 0.00205 0.00750 2.63363 D21 -0.03277 -0.00000 0.00006 0.00025 0.00030 -0.03246 D22 -3.14136 -0.00000 -0.00092 0.00086 -0.00006 -3.14142 D23 0.02260 -0.00001 -0.00002 -0.00050 -0.00052 0.02208 D24 -3.08869 -0.00000 -0.00025 -0.00018 -0.00043 -3.08911 D25 3.11298 0.00000 0.00010 0.00007 0.00017 3.11315 D26 0.00169 0.00000 -0.00013 0.00040 0.00027 0.00196 D27 3.10409 0.00001 0.00028 0.00020 0.00048 3.10457 D28 0.00891 -0.00001 0.00014 -0.00034 -0.00021 0.00870 D29 -3.11841 0.00000 -0.00000 -0.00017 -0.00018 -3.11859 D30 -0.00568 -0.00000 0.00021 -0.00048 -0.00027 -0.00595 D31 3.11049 -0.00000 -0.00001 0.00002 0.00001 3.11051 D32 -0.01026 -0.00000 0.00005 -0.00015 -0.00010 -0.01036 D33 -0.00786 -0.00000 -0.00019 0.00027 0.00008 -0.00778 D34 -3.12861 0.00000 -0.00013 0.00009 -0.00004 -3.12865 D35 0.01761 0.00000 -0.00016 0.00053 0.00036 0.01797 D36 3.13208 -0.00000 0.00035 -0.00087 -0.00052 3.13155 D37 -3.02655 -0.00000 0.00035 -0.00031 0.00003 -3.02652 D38 -0.02283 -0.00001 0.00005 -0.00037 -0.00032 -0.02315 D39 0.13983 0.00001 -0.00013 0.00096 0.00083 0.14066 D40 -3.13964 0.00000 -0.00043 0.00091 0.00048 -3.13915 D41 0.38174 0.00003 0.00234 0.00137 0.00371 0.38545 D42 -2.78846 0.00002 0.00288 -0.00010 0.00278 -2.78568 D43 3.03116 -0.00000 -0.00023 -0.00003 -0.00026 3.03091 D44 -0.13165 -0.00000 -0.00028 0.00014 -0.00014 -0.13179 D45 0.01742 0.00001 0.00009 0.00004 0.00013 0.01756 D46 3.13779 0.00000 0.00003 0.00022 0.00025 3.13804 D47 0.00679 -0.00000 0.00002 -0.00015 -0.00013 0.00667 D48 -3.10947 0.00000 0.00009 -0.00036 -0.00027 -3.10974 D49 0.00565 0.00000 -0.00002 0.00023 0.00021 0.00586 D50 -3.14079 -0.00000 -0.00040 0.00048 0.00008 -3.14070 D51 -0.01375 0.00000 -0.00006 0.00002 -0.00005 -0.01380 D52 3.13267 0.00000 0.00031 -0.00023 0.00008 3.13275 D53 -3.04664 -0.00002 0.00099 0.00003 0.00102 -3.04562 D54 0.08430 0.00001 0.00045 0.00020 0.00065 0.08495 D55 -2.92546 0.00003 0.00434 0.00260 0.00693 -2.91853 D56 -0.04121 0.00001 -0.00245 -0.00051 -0.00295 -0.04416 D57 0.22611 -0.00000 0.00484 0.00245 0.00728 0.23339 D58 3.11036 -0.00001 -0.00195 -0.00066 -0.00260 3.10776 D59 -0.10061 -0.00001 0.00113 -0.00042 0.00072 -0.09989 D60 -2.96013 0.00000 -0.00147 -0.00097 -0.00244 -2.96257 D61 3.07122 -0.00001 0.00023 0.00014 0.00038 3.07160 D62 0.21170 -0.00000 -0.00238 -0.00040 -0.00278 0.20891 D63 2.63742 -0.00003 -0.00823 -0.00669 -0.01491 2.62250 D64 0.54586 -0.00002 -0.00832 -0.00662 -0.01494 0.53092 D65 -1.55249 -0.00003 -0.00844 -0.00667 -0.01510 -1.56760 D66 -0.77700 -0.00003 -0.00567 -0.00606 -0.01173 -0.78873 D67 -2.86855 -0.00001 -0.00576 -0.00599 -0.01175 -2.88031 D68 1.31628 -0.00002 -0.00588 -0.00604 -0.01192 1.30436 D69 -2.41667 0.00002 0.00347 0.00098 0.00446 -2.41221 D70 1.76672 0.00002 0.00355 0.00109 0.00465 1.77137 D71 -0.33560 0.00003 0.00364 0.00103 0.00467 -0.33093 D72 0.99816 0.00002 0.00085 0.00030 0.00115 0.99931 D73 -1.10163 0.00002 0.00093 0.00041 0.00133 -1.10030 D74 3.07923 0.00003 0.00102 0.00034 0.00135 3.08058 D75 -2.37342 -0.00000 -0.00619 -0.00526 -0.01146 -2.38488 D76 1.80899 -0.00001 -0.00638 -0.00523 -0.01161 1.79738 D77 -0.29115 -0.00003 -0.00678 -0.00546 -0.01225 -0.30340 D78 1.01804 0.00001 0.00040 -0.00223 -0.00183 1.01621 D79 -1.08273 -0.00000 0.00021 -0.00220 -0.00198 -1.08471 D80 3.10031 -0.00001 -0.00019 -0.00243 -0.00262 3.09769 D81 2.73746 0.00000 0.00378 0.00118 0.00496 2.74242 D82 0.65193 0.00002 0.00392 0.00132 0.00524 0.65717 D83 -1.44934 0.00001 0.00384 0.00133 0.00517 -1.44417 D84 -0.65310 0.00000 -0.00279 -0.00186 -0.00465 -0.65775 D85 -2.73863 0.00001 -0.00266 -0.00172 -0.00438 -2.74301 D86 1.44329 0.00001 -0.00273 -0.00172 -0.00444 1.43884 Item Value Threshold Converged? Maximum Force 0.000161 0.000450 YES RMS Force 0.000030 0.000300 YES Maximum Displacement 0.038915 0.001800 NO RMS Displacement 0.008566 0.001200 NO Predicted change in Energy=-1.655394D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957570 -4.939549 2.054521 2 6 0 7.184414 -5.228489 3.530854 3 8 0 6.831117 -6.111675 1.299010 4 7 0 2.996915 -0.798669 0.097449 5 6 0 4.230365 -1.385218 0.286750 6 6 0 4.469170 -2.586571 0.957492 7 7 0 3.651817 -3.519268 1.576609 8 6 0 4.454946 -4.412708 2.047268 9 7 0 5.783985 -4.133647 1.804907 10 6 0 5.793942 -2.963862 1.089223 11 7 0 6.840660 -2.306491 0.635170 12 6 0 6.493743 -1.192684 0.017231 13 7 0 5.282750 -0.708164 -0.168882 14 1 0 7.775667 -4.343261 1.675652 15 1 0 8.118550 -5.770972 3.653420 16 1 0 7.262640 -4.300612 4.086269 17 7 0 4.121675 -5.538687 2.757047 18 1 0 6.378052 -5.821989 3.934037 19 1 0 7.623999 -6.623170 1.384864 20 6 0 2.929679 -5.964790 2.615246 21 1 0 7.300188 -0.603560 -0.381281 22 6 0 1.969621 -1.534069 -0.028311 23 1 0 2.011279 -2.611303 -0.023944 24 7 0 0.734031 -1.035249 -0.215821 25 6 0 0.502989 0.392786 -0.160133 26 6 0 -0.423641 -1.892805 -0.133240 27 1 0 -0.328097 0.642566 -0.809557 28 1 0 1.387799 0.911382 -0.490273 29 1 0 0.264594 0.717319 0.850006 30 1 0 -1.124594 -1.651104 -0.924605 31 1 0 -0.936655 -1.785564 0.820119 32 1 0 -0.128952 -2.927605 -0.247194 33 7 0 2.424356 -6.984348 3.319324 34 1 0 2.244788 -5.513728 1.914264 35 6 0 1.174177 -7.599667 2.932109 36 6 0 3.254724 -7.702908 4.264430 37 1 0 0.558986 -7.775380 3.806906 38 1 0 1.336402 -8.549924 2.430013 39 1 0 0.631983 -6.946745 2.261773 40 1 0 2.617237 -8.183312 4.996028 41 1 0 3.913789 -7.012465 4.765716 42 1 0 3.855341 -8.460843 3.769536 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521350 0.000000 3 O 1.400238 2.426101 0.000000 4 N 6.055065 6.996194 6.661298 0.000000 5 C 4.816216 5.832783 5.488896 1.378866 0.000000 6 C 3.596125 4.579790 4.256969 2.470587 1.396485 7 N 3.629546 4.384034 4.111640 3.165196 2.559809 8 C 2.557487 3.211934 3.015388 4.357629 3.509353 9 N 1.445368 2.477655 2.294562 4.669609 3.503198 10 C 2.487804 3.608810 3.320914 3.673559 2.362383 11 N 2.993530 4.128102 3.862667 4.163777 2.789943 12 C 4.290068 5.395396 5.094434 3.519870 2.287486 13 N 5.064896 6.143104 5.809482 2.303077 1.331735 14 H 1.080918 2.138922 2.039932 6.155593 4.821642 15 H 2.143739 1.087162 2.704960 7.974953 6.759238 16 H 2.151583 1.084233 3.351861 6.809604 5.668383 17 N 2.982417 3.174172 3.129738 5.550344 4.833786 18 H 2.155718 1.079360 2.689340 7.168349 6.131900 19 H 1.930582 2.596852 0.947449 7.549315 6.337093 20 C 4.193977 4.413983 4.120106 5.747402 5.299638 21 H 4.985110 6.058728 5.777780 4.334213 3.237448 22 C 6.388672 7.315085 6.808113 1.269631 2.287440 23 H 5.848636 6.800557 6.101938 2.066847 2.554243 24 N 7.689633 8.557352 8.077083 2.296683 3.549564 25 C 8.660261 9.479640 9.191427 2.775893 4.153834 26 C 8.279567 9.079365 8.513620 3.598688 4.700405 27 H 9.614775 10.475986 10.065792 3.735709 5.108167 28 H 8.469458 9.352445 9.063916 2.420526 3.736083 29 H 8.845730 9.509126 9.484513 3.214054 4.523854 30 H 9.220110 10.084067 9.387997 4.331059 5.496695 31 H 8.590120 9.227870 8.904092 4.119368 5.209881 32 H 7.717811 8.547107 7.808432 3.797656 4.654857 33 N 5.131371 5.077986 4.925726 6.997923 6.618794 34 H 4.749702 5.205250 4.665886 5.108649 4.861678 35 C 6.426043 6.488754 6.073064 7.590207 7.413339 36 C 5.121613 4.701420 4.910838 8.068378 7.529079 37 H 7.214892 7.103460 6.956801 8.269103 8.167294 38 H 6.691288 6.814912 6.116872 8.263178 8.018829 39 H 6.639642 6.891830 6.328785 6.933689 6.912283 40 H 6.165464 5.633543 5.976320 8.869790 8.425768 41 H 4.572982 3.924849 4.619554 7.825895 7.199116 42 H 4.996460 4.646268 4.525188 8.539908 7.895246 6 7 8 9 10 6 C 0.000000 7 N 1.386108 0.000000 8 C 2.126639 1.290261 0.000000 9 N 2.200067 2.230633 1.379477 0.000000 10 C 1.383735 2.265992 2.193151 1.371385 0.000000 11 N 2.409627 3.539189 3.481638 2.413161 1.316784 12 C 2.631712 3.990138 4.318136 3.514086 2.185398 13 N 2.336460 3.689036 4.395478 3.985099 2.632931 14 H 3.812432 4.206533 3.342171 2.006849 2.484728 15 H 5.543142 5.416182 4.224523 3.398240 4.456319 16 H 4.531077 4.466200 3.471777 2.723768 3.595311 17 N 3.474786 2.385845 1.372109 2.375707 3.493971 18 H 4.792868 4.276956 3.040444 2.781476 4.074682 19 H 5.140985 5.044720 3.920180 3.124070 4.102078 20 C 4.065777 2.753331 2.249000 3.486660 4.420217 21 H 3.706658 5.064119 5.338807 4.420385 3.162624 22 C 2.885708 3.057216 4.332602 4.966676 4.233039 23 H 2.646706 2.465265 3.675118 4.460441 3.958784 24 N 4.211238 4.230441 5.511263 6.259828 5.570044 25 C 5.084904 5.313714 6.601770 7.227648 6.389223 26 C 5.060692 4.709386 5.908057 6.878401 6.426501 27 H 6.046781 6.233327 7.522948 8.185669 7.354662 28 H 4.881244 5.387804 6.647739 7.074363 6.076711 29 H 5.348429 5.472650 6.731245 7.409951 6.646954 30 H 5.975581 5.706154 6.898532 7.832095 7.324272 31 H 5.466574 4.963072 6.121859 7.186815 6.838256 32 H 4.765532 4.239166 5.336873 6.374047 6.071902 33 N 5.394438 4.068230 3.514933 4.659084 5.700155 34 H 3.798886 2.464063 2.472799 3.800328 4.447358 35 C 6.315633 4.962432 4.658658 5.876581 6.799201 36 C 6.211894 4.988478 4.145088 5.018570 6.244047 37 H 7.094536 5.714396 5.438970 6.676139 7.611916 38 H 6.895225 5.603298 5.195033 6.298830 7.271276 39 H 5.952837 4.619139 4.591558 5.887731 6.624503 40 H 7.145833 5.875039 5.127359 6.050730 7.252394 41 H 5.865114 4.737242 3.800204 4.533390 5.782972 42 H 6.541517 5.410131 4.439947 5.128749 6.415532 11 12 13 14 15 11 N 0.000000 12 C 1.320139 0.000000 13 N 2.372390 1.317536 0.000000 14 H 2.470885 3.784155 4.778166 0.000000 15 H 4.769221 6.068163 6.948654 2.463229 0.000000 16 H 4.008076 5.177596 5.910327 2.464973 1.755534 17 N 4.726767 5.658714 5.765684 3.993760 4.102736 18 H 4.843063 6.065082 6.647168 3.039781 1.763712 19 H 4.450773 5.712974 6.548502 2.303377 2.473291 20 C 5.709608 6.498095 6.396908 5.195748 5.295258 21 H 2.035759 1.075283 2.031283 4.294464 6.606867 22 C 4.976330 4.537213 3.417412 6.671224 8.325613 23 H 4.883673 4.701772 3.787541 6.254317 7.797774 24 N 6.295328 5.766575 4.560705 8.006576 9.587973 25 C 6.934312 6.199541 4.904924 8.870857 10.513414 26 C 7.316533 6.954352 5.828168 8.746741 10.116719 27 H 7.885128 7.112610 5.806594 9.833907 11.506411 28 H 6.430786 5.545747 4.230468 8.550284 10.350220 29 H 7.241148 6.568403 5.315263 9.094359 10.566062 30 H 8.142953 7.690010 6.520299 9.655241 11.107084 31 H 7.796935 7.497130 6.389047 9.120215 10.291152 32 H 7.052647 6.851274 5.849664 8.257386 9.556192 33 N 6.970708 7.810705 7.728421 6.189793 5.831616 34 H 5.748433 6.350100 6.054928 5.658405 6.131224 35 C 8.087192 8.822909 8.601706 7.467432 7.217252 36 C 7.426425 8.420984 8.526054 6.199027 5.269014 37 H 8.912243 9.639236 9.384369 8.270561 7.822289 38 H 8.514621 9.303154 9.155388 7.728468 7.430802 39 H 7.919941 8.515129 8.152154 7.625870 7.705051 40 H 8.449343 9.417250 9.468849 7.237423 6.155194 41 H 6.911887 7.941922 8.122102 5.620254 4.523110 42 H 7.524123 8.594597 8.812075 6.058695 5.042205 16 17 18 19 20 16 H 0.000000 17 N 3.628404 0.000000 18 H 1.766425 2.560625 0.000000 19 H 3.580844 3.914749 2.948314 0.000000 20 C 4.869081 1.273785 3.694710 4.897341 0.000000 21 H 5.799019 6.656390 6.834055 6.281706 7.538124 22 C 7.252557 5.331653 7.315786 7.737442 5.247990 23 H 6.879274 4.556014 6.711395 7.041480 4.365164 24 N 8.473094 6.371423 8.484643 9.014362 6.093947 25 C 9.260281 7.535729 9.481668 10.115307 7.349172 26 C 9.092893 6.504315 8.845578 9.457563 5.948108 27 H 10.296767 8.410055 10.452970 10.992826 8.124010 28 H 9.089740 7.721564 9.477100 9.958704 7.700869 29 H 9.199221 7.592857 9.468271 10.408155 7.407383 30 H 10.122966 7.496079 9.863689 10.324386 6.897503 31 H 9.177235 6.589714 8.915949 9.849171 5.969669 32 H 8.677539 5.823319 8.258404 8.742371 5.174290 33 N 5.585664 2.299345 4.166613 5.559575 1.338124 34 H 5.600722 2.057574 4.610680 5.517883 1.078845 35 C 7.020344 3.600838 5.589661 6.704306 2.419713 36 C 5.260300 2.776268 3.660901 5.343061 2.417957 37 H 7.555860 4.335638 6.139497 7.557002 3.212238 38 H 7.477976 4.114881 5.926377 6.658723 3.042328 39 H 7.368610 3.795508 6.089240 7.054216 2.523605 40 H 6.122318 3.777620 4.565895 6.367276 3.269187 41 H 4.362407 2.499998 2.860335 5.034617 2.586623 42 H 5.386792 3.104040 3.654405 4.823534 2.901641 21 22 23 24 25 21 H 0.000000 22 C 5.422673 0.000000 23 H 5.668446 1.078048 0.000000 24 N 6.582412 1.345609 2.037677 0.000000 25 C 6.873392 2.425110 3.364230 1.447676 0.000000 26 C 7.834616 2.422273 2.541067 1.443061 2.466434 27 H 7.741251 3.259999 4.083814 2.072607 1.083902 28 H 6.104364 2.555808 3.607700 2.071740 1.077415 29 H 7.263633 2.957584 3.859329 2.104246 1.087444 30 H 8.507026 3.223539 3.401010 2.082339 2.722302 31 H 8.407502 3.038013 3.175627 2.104124 2.789029 32 H 7.785324 2.528608 2.174965 2.080080 3.381113 33 N 8.842097 6.412409 5.520108 7.123639 8.379760 34 H 7.411905 4.437004 3.497891 5.184247 6.497992 35 C 9.871782 6.796198 5.858563 7.293475 8.596032 36 C 9.399424 7.624546 6.772056 8.419277 9.627517 37 H 10.696715 7.460077 6.591833 7.851264 9.080720 38 H 10.325445 7.461002 6.461005 7.989595 9.347487 39 H 9.575317 6.027506 5.091465 6.410513 7.729877 40 H 10.406638 8.359176 7.524266 9.044591 10.227683 41 H 8.890070 7.534940 6.777213 8.405575 9.525508 42 H 9.530643 8.121563 7.211669 8.986940 10.250235 26 27 28 29 30 26 C 0.000000 27 H 2.625765 0.000000 28 H 3.357417 1.765928 0.000000 29 H 2.872836 1.763808 1.759431 0.000000 30 H 1.084441 2.430755 3.614844 3.269329 0.000000 31 H 1.087923 2.986973 3.793907 2.776385 1.759960 32 H 1.081960 3.619673 4.134905 3.826773 1.754891 33 N 6.779018 9.099092 8.827798 8.371246 7.684364 34 H 4.942051 7.206864 6.913628 6.624179 5.859332 35 C 6.672156 9.175582 9.175853 8.621760 7.452784 36 C 8.162546 10.403312 10.014919 9.565531 9.095539 37 H 7.148076 9.641601 9.726896 8.997547 7.920126 38 H 7.347465 9.887732 9.901869 9.461870 8.056282 39 H 5.691462 8.243329 8.360333 7.801662 6.425136 40 H 8.667572 10.967038 10.692262 10.096814 9.577313 41 H 8.308068 10.376742 9.838363 9.402072 9.301034 42 H 8.756739 11.015503 10.586469 10.278899 9.654390 31 32 33 34 35 31 H 0.000000 32 H 1.759488 0.000000 33 N 6.676060 5.974663 0.000000 34 H 5.021747 4.122448 2.041852 0.000000 35 C 6.536047 5.799507 1.446201 2.556044 0.000000 36 C 8.027820 7.389691 1.448815 3.366862 2.472733 37 H 6.858261 6.356879 2.084003 3.396924 1.083792 38 H 7.315403 6.397279 2.103698 3.210865 1.086925 39 H 5.583617 4.798690 2.081448 2.185279 1.081495 40 H 8.426123 7.915515 2.070279 4.094223 2.585116 41 H 8.149542 7.626212 2.076356 3.628024 3.348491 42 H 8.730501 7.913624 2.104863 3.836848 2.937950 36 37 38 39 40 36 C 0.000000 37 H 2.735248 0.000000 38 H 2.786122 1.760718 0.000000 39 H 3.385437 1.754822 1.759174 0.000000 40 H 1.082780 2.411807 2.891258 3.598122 0.000000 41 H 1.078131 3.571562 3.802922 4.128474 1.762093 42 H 1.086337 3.367078 2.854350 3.867283 1.764712 41 42 41 H 0.000000 42 H 1.758861 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.486204 -2.268702 0.148657 2 6 0 3.467875 -2.136783 -1.006083 3 8 0 3.044676 -1.863713 1.367164 4 7 0 -3.257954 -0.385975 -0.203197 5 6 0 -2.224367 -1.287115 -0.058562 6 6 0 -0.862785 -0.977085 -0.070690 7 7 0 -0.148325 0.204422 -0.192690 8 6 0 1.092882 -0.146506 -0.160667 9 7 0 1.271741 -1.509501 -0.045723 10 6 0 0.011429 -2.045190 0.027409 11 7 0 -0.318561 -3.314866 0.141199 12 6 0 -1.627565 -3.485906 0.145727 13 7 0 -2.568757 -2.569177 0.047402 14 1 0 2.150996 -3.293889 0.219447 15 1 0 4.320607 -2.788163 -0.831518 16 1 0 2.998237 -2.444133 -1.933734 17 7 0 2.190535 0.671049 -0.257855 18 1 0 3.816246 -1.119448 -1.099271 19 1 0 3.801499 -2.401647 1.555593 20 6 0 2.011112 1.896822 0.038483 21 1 0 -1.970283 -4.501024 0.236892 22 6 0 -3.117170 0.798974 0.230435 23 1 0 -2.230144 1.139062 0.740055 24 7 0 -4.080009 1.733146 0.125897 25 6 0 -5.296165 1.454449 -0.608309 26 6 0 -3.797662 3.115024 0.431055 27 1 0 -6.108963 2.027865 -0.177729 28 1 0 -5.521150 0.402896 -0.541675 29 1 0 -5.197553 1.724576 -1.657042 30 1 0 -4.617322 3.548197 0.993665 31 1 0 -3.655087 3.705414 -0.471547 32 1 0 -2.900278 3.187643 1.031109 33 7 0 2.954015 2.834811 -0.108786 34 1 0 1.069228 2.256436 0.422461 35 6 0 2.794900 4.140742 0.491817 36 6 0 4.277109 2.474491 -0.576394 37 1 0 3.091152 4.911843 -0.209783 38 1 0 3.399191 4.242836 1.389488 39 1 0 1.758925 4.302932 0.756550 40 1 0 4.746433 3.349755 -1.007743 41 1 0 4.198756 1.705919 -1.328408 42 1 0 4.898533 2.105980 0.234875 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211609 0.1992025 0.1279011 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.4120240653 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.91D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000064 -0.000108 0.000214 Ang= 0.03 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37963032 A.U. after 10 cycles NFock= 10 Conv=0.67D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000015078 0.000025019 0.000009088 2 6 -0.000003096 -0.000027552 0.000028138 3 8 -0.000040361 0.000006440 -0.000014282 4 7 0.000048346 0.000040620 -0.000022760 5 6 -0.000081097 0.000029714 -0.000000032 6 6 0.000096780 -0.000071479 0.000038540 7 7 -0.000134265 0.000014303 -0.000044766 8 6 0.000244344 0.000037075 0.000057665 9 7 -0.000070861 -0.000159884 0.000033600 10 6 -0.000030058 0.000193399 -0.000131171 11 7 0.000042768 -0.000161430 0.000073648 12 6 0.000026373 0.000148368 -0.000066081 13 7 -0.000052607 -0.000028364 0.000011189 14 1 -0.000002629 0.000023266 0.000000082 15 1 -0.000000319 0.000017219 -0.000022192 16 1 0.000000146 -0.000001528 0.000010038 17 7 -0.000057394 -0.000040536 0.000031722 18 1 0.000020188 0.000009020 0.000000344 19 1 0.000013398 -0.000003776 0.000007517 20 6 -0.000033214 0.000002250 0.000018139 21 1 0.000019795 -0.000008364 0.000003932 22 6 -0.000026580 -0.000054997 -0.000052783 23 1 -0.000000759 0.000006347 0.000006018 24 7 0.000077193 -0.000016446 0.000098139 25 6 -0.000016747 0.000015468 0.000005170 26 6 -0.000018492 0.000004984 -0.000026412 27 1 -0.000000277 0.000009004 -0.000009173 28 1 0.000008644 0.000009614 0.000006575 29 1 -0.000018238 -0.000029318 -0.000006724 30 1 -0.000006721 -0.000016763 -0.000015783 31 1 0.000005099 0.000026568 -0.000008646 32 1 -0.000003848 0.000001180 0.000026393 33 7 0.000007542 -0.000070826 -0.000129404 34 1 -0.000005724 -0.000005542 -0.000013635 35 6 0.000019606 0.000054978 0.000067244 36 6 -0.000018031 0.000012238 0.000026339 37 1 -0.000007276 -0.000014391 0.000004772 38 1 0.000013206 0.000009494 -0.000004807 39 1 -0.000006937 0.000004236 -0.000006164 40 1 0.000002589 -0.000009641 -0.000003778 41 1 0.000005120 0.000006503 0.000017172 42 1 -0.000000530 0.000013527 -0.000002870 ------------------------------------------------------------------- Cartesian Forces: Max 0.000244344 RMS 0.000051837 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000131426 RMS 0.000027486 Search for a local minimum. Step number 25 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 DE= -2.69D-06 DEPred=-1.66D-06 R= 1.63D+00 TightC=F SS= 1.41D+00 RLast= 4.54D-02 DXNew= 2.8153D+00 1.3615D-01 Trust test= 1.63D+00 RLast= 4.54D-02 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 0 1 0 Eigenvalues --- 0.00093 0.00113 0.00239 0.00274 0.00498 Eigenvalues --- 0.00701 0.00910 0.01197 0.01247 0.01494 Eigenvalues --- 0.01609 0.02062 0.02105 0.02150 0.02263 Eigenvalues --- 0.02323 0.02548 0.02584 0.02612 0.02693 Eigenvalues --- 0.02843 0.03209 0.03299 0.03440 0.03817 Eigenvalues --- 0.04978 0.05434 0.05552 0.05703 0.06138 Eigenvalues --- 0.06626 0.07394 0.07485 0.07573 0.07610 Eigenvalues --- 0.07669 0.07809 0.07945 0.08072 0.08401 Eigenvalues --- 0.15558 0.15846 0.15912 0.15949 0.15969 Eigenvalues --- 0.15985 0.15995 0.16000 0.16002 0.16006 Eigenvalues --- 0.16009 0.16021 0.16051 0.16081 0.16177 Eigenvalues --- 0.16327 0.16682 0.17368 0.18052 0.18653 Eigenvalues --- 0.20628 0.22273 0.22354 0.22977 0.23651 Eigenvalues --- 0.24171 0.24262 0.24460 0.24826 0.24930 Eigenvalues --- 0.25097 0.25288 0.26074 0.26246 0.27551 Eigenvalues --- 0.28069 0.32778 0.32832 0.33095 0.33204 Eigenvalues --- 0.33346 0.33405 0.33539 0.33574 0.33630 Eigenvalues --- 0.33642 0.33676 0.33692 0.33758 0.33776 Eigenvalues --- 0.33897 0.33968 0.34695 0.35748 0.37475 Eigenvalues --- 0.38366 0.39222 0.39700 0.39967 0.40165 Eigenvalues --- 0.40539 0.40823 0.41490 0.42346 0.43037 Eigenvalues --- 0.45441 0.47546 0.48260 0.50786 0.51790 Eigenvalues --- 0.53178 0.54637 0.59700 0.60385 0.64334 Eigenvalues --- 0.68060 0.70938 0.74266 0.76568 0.84793 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 19 18 17 16 RFO step: Lambda=-1.52532993D-06. DIIS inversion failure, remove point 10. RFO-DIIS uses 9 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.33501 0.60360 -1.06267 -0.87213 1.54096 RFO-DIIS coefs: -0.59623 -0.02771 0.01122 0.06795 0.00000 Iteration 1 RMS(Cart)= 0.00552810 RMS(Int)= 0.00001323 Iteration 2 RMS(Cart)= 0.00001857 RMS(Int)= 0.00000216 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000216 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87493 0.00002 0.00002 0.00003 0.00005 2.87498 R2 2.64607 0.00000 -0.00007 0.00007 -0.00001 2.64606 R3 2.73135 -0.00005 0.00009 -0.00013 -0.00005 2.73130 R4 2.04264 0.00001 -0.00003 0.00004 0.00001 2.04265 R5 2.05444 -0.00001 0.00001 -0.00001 0.00000 2.05444 R6 2.04890 0.00000 0.00001 -0.00000 0.00000 2.04891 R7 2.03969 -0.00002 0.00001 -0.00001 -0.00000 2.03969 R8 1.79042 0.00001 0.00002 0.00000 0.00003 1.79045 R9 2.60568 -0.00004 -0.00003 -0.00011 -0.00014 2.60554 R10 2.39925 0.00002 0.00010 0.00004 0.00014 2.39940 R11 2.63898 0.00002 0.00027 0.00000 0.00028 2.63925 R12 2.51661 0.00001 -0.00016 0.00004 -0.00013 2.51649 R13 2.61936 0.00002 0.00010 -0.00001 0.00010 2.61946 R14 2.61488 -0.00005 -0.00002 -0.00011 -0.00013 2.61475 R15 2.43824 0.00008 -0.00012 0.00014 0.00002 2.43826 R16 2.60683 -0.00007 0.00013 -0.00026 -0.00013 2.60670 R17 2.59291 0.00005 0.00011 0.00002 0.00014 2.59305 R18 2.59154 0.00013 -0.00031 0.00036 0.00005 2.59159 R19 2.48836 -0.00001 0.00021 -0.00010 0.00011 2.48847 R20 2.49470 0.00013 -0.00043 0.00029 -0.00014 2.49456 R21 2.48978 0.00005 0.00026 -0.00004 0.00022 2.49000 R22 2.03199 0.00001 0.00001 0.00000 0.00002 2.03201 R23 2.40710 0.00002 -0.00015 0.00004 -0.00011 2.40699 R24 2.52869 -0.00003 0.00022 -0.00003 0.00019 2.52887 R25 2.03872 0.00001 -0.00001 0.00001 0.00001 2.03873 R26 2.03722 -0.00001 -0.00013 0.00003 -0.00010 2.03712 R27 2.54283 -0.00003 -0.00009 -0.00007 -0.00016 2.54267 R28 2.73571 0.00001 -0.00004 0.00006 0.00001 2.73572 R29 2.72699 0.00001 0.00005 -0.00007 -0.00002 2.72697 R30 2.04828 0.00001 -0.00001 0.00007 0.00006 2.04834 R31 2.03602 0.00001 -0.00002 0.00000 -0.00002 2.03600 R32 2.05497 -0.00001 0.00002 -0.00004 -0.00002 2.05495 R33 2.04930 0.00001 0.00007 0.00002 0.00009 2.04938 R34 2.05588 -0.00001 -0.00004 -0.00001 -0.00006 2.05582 R35 2.04461 -0.00000 -0.00004 0.00002 -0.00002 2.04459 R36 2.73292 -0.00006 0.00012 -0.00015 -0.00003 2.73290 R37 2.73786 0.00001 0.00007 -0.00000 0.00007 2.73793 R38 2.04807 0.00001 -0.00007 0.00004 -0.00003 2.04804 R39 2.05399 -0.00000 0.00005 0.00001 0.00005 2.05404 R40 2.04373 0.00001 0.00001 0.00001 0.00002 2.04375 R41 2.04616 0.00000 -0.00005 0.00002 -0.00003 2.04613 R42 2.03737 0.00002 0.00007 -0.00001 0.00006 2.03743 R43 2.05288 -0.00001 -0.00001 0.00001 -0.00001 2.05287 A1 1.95851 -0.00001 0.00020 -0.00015 0.00005 1.95856 A2 1.97638 0.00007 -0.00021 0.00023 0.00002 1.97640 A3 1.90928 -0.00002 -0.00000 -0.00001 -0.00001 1.90927 A4 1.87573 -0.00004 0.00001 -0.00007 -0.00006 1.87567 A5 1.91879 0.00002 0.00008 0.00000 0.00009 1.91888 A6 1.81978 -0.00003 -0.00009 -0.00000 -0.00009 1.81969 A7 1.90953 -0.00004 0.00013 -0.00020 -0.00007 1.90946 A8 1.92339 0.00002 -0.00011 0.00012 0.00001 1.92339 A9 1.93427 0.00002 0.00001 0.00005 0.00006 1.93433 A10 1.88314 0.00000 0.00003 -0.00005 -0.00002 1.88311 A11 1.90226 0.00001 -0.00006 0.00009 0.00003 1.90229 A12 1.91040 -0.00001 -0.00000 -0.00001 -0.00001 1.91039 A13 1.90440 -0.00001 0.00003 -0.00003 -0.00000 1.90440 A14 2.08404 -0.00006 0.00058 -0.00024 0.00033 2.08437 A15 2.19550 -0.00001 0.00078 -0.00019 0.00059 2.19608 A16 2.03048 0.00001 -0.00058 0.00017 -0.00041 2.03006 A17 2.05619 -0.00001 -0.00018 0.00000 -0.00018 2.05601 A18 2.33583 -0.00004 0.00019 -0.00012 0.00007 2.33590 A19 2.03086 0.00000 0.00001 -0.00003 -0.00002 2.03083 A20 1.91618 0.00004 -0.00019 0.00015 -0.00004 1.91613 A21 1.83571 -0.00002 0.00013 -0.00010 0.00003 1.83574 A22 1.97744 0.00000 -0.00012 0.00007 -0.00005 1.97739 A23 2.22150 -0.00010 0.00031 -0.00037 -0.00006 2.22144 A24 2.08392 0.00010 -0.00019 0.00032 0.00013 2.08405 A25 2.26417 0.00005 -0.00021 0.00011 -0.00009 2.26408 A26 2.16499 -0.00006 0.00013 -0.00011 0.00002 2.16501 A27 1.84548 0.00001 0.00003 0.00003 0.00006 1.84553 A28 1.84971 -0.00003 0.00016 -0.00015 0.00001 1.84972 A29 2.20444 0.00006 0.00002 0.00013 0.00015 2.20459 A30 2.22882 -0.00003 -0.00018 0.00002 -0.00015 2.22867 A31 1.95380 -0.00003 -0.00002 -0.00003 -0.00005 1.95375 A32 2.23690 -0.00005 0.00002 -0.00013 -0.00011 2.23680 A33 2.02488 0.00001 0.00013 -0.00007 0.00006 2.02494 A34 2.02139 0.00005 -0.00016 0.00020 0.00005 2.02144 A35 2.08408 0.00002 0.00015 0.00006 0.00022 2.08430 A36 2.03110 -0.00004 0.00071 -0.00038 0.00033 2.03143 A37 2.15279 -0.00001 -0.00018 0.00006 -0.00011 2.15268 A38 2.12533 0.00001 0.00029 -0.00017 0.00012 2.12544 A39 2.00502 0.00000 -0.00012 0.00011 -0.00001 2.00501 A40 2.14971 0.00001 0.00037 -0.00023 0.00013 2.14985 A41 2.14368 -0.00002 -0.00030 0.00014 -0.00016 2.14352 A42 1.98938 0.00001 -0.00004 0.00007 0.00003 1.98941 A43 2.10233 0.00003 0.00038 0.00017 0.00056 2.10289 A44 2.10409 0.00004 0.00041 0.00002 0.00044 2.10453 A45 2.04425 -0.00007 -0.00014 -0.00011 -0.00025 2.04401 A46 1.90354 0.00001 -0.00008 0.00028 0.00020 1.90374 A47 1.90917 0.00002 -0.00013 0.00025 0.00012 1.90929 A48 1.94454 -0.00004 0.00006 -0.00045 -0.00039 1.94415 A49 1.91258 -0.00000 0.00004 -0.00002 0.00002 1.91260 A50 1.89620 0.00000 -0.00004 -0.00007 -0.00011 1.89610 A51 1.89761 0.00001 0.00016 0.00001 0.00017 1.89777 A52 1.92232 0.00002 0.00022 0.00009 0.00030 1.92263 A53 1.94966 -0.00004 -0.00021 -0.00021 -0.00042 1.94924 A54 1.92179 0.00001 0.00003 0.00006 0.00009 1.92188 A55 1.88884 0.00000 -0.00005 0.00004 -0.00001 1.88883 A56 1.88847 -0.00001 0.00007 0.00004 0.00011 1.88858 A57 1.89126 0.00000 -0.00005 -0.00001 -0.00006 1.89120 A58 2.10569 0.00001 -0.00031 0.00008 -0.00022 2.10547 A59 2.09982 -0.00001 -0.00056 0.00012 -0.00043 2.09939 A60 2.04777 0.00000 -0.00014 0.00010 -0.00003 2.04774 A61 1.92150 0.00002 -0.00020 0.00002 -0.00017 1.92132 A62 1.94619 -0.00003 0.00024 0.00004 0.00028 1.94647 A63 1.92034 0.00001 -0.00003 -0.00008 -0.00010 1.92024 A64 1.89214 0.00000 0.00006 -0.00002 0.00004 1.89218 A65 1.88978 -0.00000 -0.00018 0.00010 -0.00008 1.88970 A66 1.89264 0.00000 0.00009 -0.00005 0.00003 1.89267 A67 1.90009 0.00001 -0.00025 0.00023 -0.00003 1.90006 A68 1.91351 0.00001 0.00003 0.00004 0.00007 1.91358 A69 1.94522 -0.00001 0.00021 -0.00018 0.00003 1.94525 A70 1.90697 -0.00000 -0.00006 0.00001 -0.00005 1.90693 A71 1.90050 0.00000 0.00012 -0.00006 0.00006 1.90056 A72 1.89721 0.00000 -0.00005 -0.00004 -0.00008 1.89713 D1 1.08861 0.00001 0.00004 0.00035 0.00039 1.08900 D2 -3.12678 0.00000 0.00009 0.00024 0.00033 -3.12644 D3 -1.00945 0.00001 0.00002 0.00034 0.00036 -1.00908 D4 -3.06719 0.00001 0.00004 0.00032 0.00037 -3.06682 D5 -0.99939 -0.00000 0.00009 0.00021 0.00030 -0.99908 D6 1.11794 0.00001 0.00002 0.00031 0.00034 1.11828 D7 -1.04584 0.00000 -0.00020 0.00046 0.00026 -1.04558 D8 1.02196 -0.00001 -0.00015 0.00035 0.00020 1.02216 D9 3.13929 0.00000 -0.00022 0.00045 0.00023 3.13952 D10 -1.04498 0.00003 0.00027 0.00014 0.00042 -1.04456 D11 3.05439 -0.00003 0.00040 -0.00000 0.00040 3.05479 D12 1.08406 0.00001 0.00046 0.00004 0.00050 1.08456 D13 -1.10495 -0.00001 -0.00172 0.00114 -0.00058 -1.10553 D14 2.19738 -0.00001 -0.00123 0.00077 -0.00046 2.19692 D15 1.06811 0.00000 -0.00160 0.00105 -0.00055 1.06756 D16 -1.91274 0.00000 -0.00111 0.00068 -0.00043 -1.91317 D17 3.10445 -0.00001 -0.00155 0.00102 -0.00052 3.10393 D18 0.12360 -0.00000 -0.00106 0.00065 -0.00041 0.12319 D19 -0.55782 0.00002 0.00619 -0.00056 0.00563 -0.55218 D20 2.63363 0.00002 0.00578 0.00005 0.00583 2.63946 D21 -0.03246 -0.00000 0.00015 -0.00007 0.00009 -0.03238 D22 -3.14142 -0.00001 -0.00093 0.00079 -0.00013 -3.14156 D23 0.02208 0.00000 -0.00022 0.00048 0.00025 0.02233 D24 -3.08911 -0.00000 -0.00034 0.00053 0.00019 -3.08893 D25 3.11315 0.00001 0.00018 -0.00013 0.00005 3.11320 D26 0.00196 -0.00000 0.00006 -0.00008 -0.00002 0.00194 D27 3.10457 -0.00000 0.00032 -0.00038 -0.00006 3.10451 D28 0.00870 -0.00000 -0.00008 0.00018 0.00010 0.00880 D29 -3.11859 0.00001 0.00003 0.00015 0.00018 -3.11841 D30 -0.00595 0.00001 0.00015 0.00010 0.00025 -0.00570 D31 3.11051 -0.00000 -0.00007 0.00003 -0.00004 3.11047 D32 -0.01036 -0.00000 -0.00003 -0.00006 -0.00009 -0.01045 D33 -0.00778 -0.00001 -0.00016 0.00007 -0.00009 -0.00787 D34 -3.12865 -0.00000 -0.00013 -0.00002 -0.00014 -3.12879 D35 0.01797 -0.00002 -0.00008 -0.00024 -0.00031 0.01766 D36 3.13155 0.00002 0.00009 0.00041 0.00050 3.13205 D37 -3.02652 0.00002 0.00038 -0.00002 0.00036 -3.02616 D38 -0.02315 0.00001 -0.00002 0.00029 0.00026 -0.02289 D39 0.14066 -0.00001 0.00023 -0.00060 -0.00038 0.14029 D40 -3.13915 -0.00002 -0.00018 -0.00029 -0.00047 -3.13963 D41 0.38545 -0.00000 0.00243 -0.00036 0.00207 0.38752 D42 -2.78568 0.00004 0.00260 0.00031 0.00292 -2.78276 D43 3.03091 0.00000 -0.00030 0.00011 -0.00019 3.03072 D44 -0.13179 0.00000 -0.00033 0.00020 -0.00013 -0.13193 D45 0.01756 -0.00000 0.00011 -0.00020 -0.00009 0.01747 D46 3.13804 -0.00000 0.00008 -0.00011 -0.00003 3.13801 D47 0.00667 0.00000 0.00002 0.00008 0.00010 0.00677 D48 -3.10974 0.00001 0.00006 -0.00002 0.00003 -3.10971 D49 0.00586 -0.00001 -0.00004 0.00004 -0.00001 0.00585 D50 -3.14070 -0.00000 -0.00017 0.00006 -0.00010 -3.14081 D51 -0.01380 0.00001 0.00008 -0.00017 -0.00010 -0.01390 D52 3.13275 0.00000 0.00020 -0.00020 0.00000 3.13275 D53 -3.04562 -0.00001 0.00062 -0.00025 0.00037 -3.04525 D54 0.08495 0.00000 0.00028 -0.00005 0.00023 0.08518 D55 -2.91853 -0.00001 0.00265 -0.00044 0.00220 -2.91633 D56 -0.04416 0.00001 -0.00165 0.00091 -0.00074 -0.04490 D57 0.23339 -0.00002 0.00296 -0.00063 0.00232 0.23572 D58 3.10776 0.00000 -0.00134 0.00071 -0.00062 3.10715 D59 -0.09989 -0.00001 0.00101 -0.00029 0.00073 -0.09916 D60 -2.96257 -0.00000 -0.00182 -0.00059 -0.00242 -2.96500 D61 3.07160 -0.00001 0.00002 0.00050 0.00053 3.07212 D62 0.20891 -0.00001 -0.00282 0.00020 -0.00263 0.20629 D63 2.62250 -0.00001 -0.00480 -0.00050 -0.00529 2.61721 D64 0.53092 -0.00002 -0.00471 -0.00079 -0.00551 0.52542 D65 -1.56760 -0.00002 -0.00486 -0.00069 -0.00555 -1.57314 D66 -0.78873 0.00000 -0.00196 -0.00019 -0.00215 -0.79087 D67 -2.88031 -0.00001 -0.00188 -0.00048 -0.00236 -2.88267 D68 1.30436 -0.00001 -0.00202 -0.00037 -0.00240 1.30196 D69 -2.41221 0.00002 0.00581 0.00066 0.00647 -2.40574 D70 1.77137 0.00002 0.00586 0.00069 0.00655 1.77792 D71 -0.33093 0.00003 0.00605 0.00080 0.00685 -0.32409 D72 0.99931 0.00001 0.00297 0.00032 0.00330 1.00261 D73 -1.10030 0.00001 0.00302 0.00035 0.00338 -1.09692 D74 3.08058 0.00002 0.00321 0.00046 0.00368 3.08426 D75 -2.38488 -0.00000 -0.00412 0.00025 -0.00387 -2.38875 D76 1.79738 -0.00000 -0.00423 0.00024 -0.00400 1.79338 D77 -0.30340 0.00001 -0.00448 0.00033 -0.00415 -0.30755 D78 1.01621 -0.00002 0.00010 -0.00106 -0.00096 1.01525 D79 -1.08471 -0.00002 -0.00001 -0.00107 -0.00108 -1.08579 D80 3.09769 -0.00001 -0.00026 -0.00098 -0.00123 3.09646 D81 2.74242 0.00000 0.00451 -0.00011 0.00441 2.74684 D82 0.65717 -0.00000 0.00472 -0.00028 0.00445 0.66162 D83 -1.44417 -0.00000 0.00463 -0.00015 0.00449 -1.43968 D84 -0.65775 0.00002 0.00035 0.00119 0.00154 -0.65621 D85 -2.74301 0.00002 0.00056 0.00102 0.00158 -2.74143 D86 1.43884 0.00002 0.00047 0.00115 0.00161 1.44046 Item Value Threshold Converged? Maximum Force 0.000131 0.000450 YES RMS Force 0.000027 0.000300 YES Maximum Displacement 0.033347 0.001800 NO RMS Displacement 0.005531 0.001200 NO Predicted change in Energy=-7.180084D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.956825 -4.939706 2.055434 2 6 0 7.184005 -5.227046 3.532053 3 8 0 6.829854 -6.112608 1.301223 4 7 0 2.997238 -0.799163 0.094521 5 6 0 4.230181 -1.386329 0.284681 6 6 0 4.468818 -2.587338 0.956401 7 7 0 3.651340 -3.519664 1.576024 8 6 0 4.454390 -4.412657 2.047692 9 7 0 5.783383 -4.133830 1.805205 10 6 0 5.793489 -2.964563 1.088627 11 7 0 6.840464 -2.307710 0.634253 12 6 0 6.493834 -1.194362 0.015486 13 7 0 5.282785 -0.709855 -0.171112 14 1 0 7.774910 -4.343937 1.675708 15 1 0 8.118245 -5.769279 3.654940 16 1 0 7.262289 -4.298569 4.086460 17 7 0 4.120830 -5.538408 2.757837 18 1 0 6.377812 -5.820190 3.936093 19 1 0 7.622491 -6.624400 1.387707 20 6 0 2.929866 -5.966488 2.613856 21 1 0 7.300401 -0.605559 -0.383277 22 6 0 1.968340 -1.533514 -0.024852 23 1 0 2.007972 -2.610728 -0.014256 24 7 0 0.733374 -1.033449 -0.212538 25 6 0 0.504522 0.395256 -0.165504 26 6 0 -0.425896 -1.888403 -0.125689 27 1 0 -0.324307 0.642958 -0.818650 28 1 0 1.391126 0.910666 -0.495793 29 1 0 0.263582 0.725389 0.842200 30 1 0 -1.124571 -1.652630 -0.920910 31 1 0 -0.941008 -1.771768 0.825398 32 1 0 -0.132628 -2.924656 -0.229548 33 7 0 2.424508 -6.985873 3.318347 34 1 0 2.245825 -5.517475 1.910728 35 6 0 1.177550 -7.605305 2.927381 36 6 0 3.254604 -7.701951 4.265627 37 1 0 0.561013 -7.784184 3.800567 38 1 0 1.344183 -8.554392 2.424454 39 1 0 0.634563 -6.953402 2.256676 40 1 0 2.616563 -8.186010 4.994305 41 1 0 3.908835 -7.009264 4.770209 42 1 0 3.860397 -8.456605 3.772035 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521374 0.000000 3 O 1.400234 2.426159 0.000000 4 N 6.055378 6.996556 6.661663 0.000000 5 C 4.816289 5.832805 5.489022 1.378793 0.000000 6 C 3.596065 4.579769 4.256867 2.471023 1.396631 7 N 3.629406 4.384168 4.111183 3.166042 2.560028 8 C 2.557347 3.212064 3.014942 4.358383 3.509578 9 N 1.445343 2.477674 2.294485 4.670016 3.503312 10 C 2.487822 3.608698 3.321059 3.673720 2.362432 11 N 2.993443 4.127686 3.862927 4.163821 2.790112 12 C 4.289913 5.394917 5.094622 3.519746 2.287672 13 N 5.064737 6.142727 5.809555 2.302664 1.331668 14 H 1.080923 2.138941 2.039992 6.155624 4.821566 15 H 2.143713 1.087162 2.705145 7.975170 6.759137 16 H 2.151612 1.084235 3.351907 6.809704 5.668187 17 N 2.982395 3.174807 3.128936 5.551230 4.834069 18 H 2.155780 1.079358 2.689311 7.169147 6.132231 19 H 1.930587 2.596746 0.947463 7.549747 6.337336 20 C 4.193151 4.414471 4.117555 5.749159 5.300352 21 H 4.984996 6.058176 5.778108 4.333934 3.237595 22 C 6.388640 7.314159 6.808883 1.269706 2.287662 23 H 5.847983 6.797996 6.102801 2.066942 2.554747 24 N 7.689856 8.556803 8.078143 2.296575 3.549565 25 C 8.661790 9.481440 9.193117 2.776308 4.154184 26 C 8.280841 9.079439 8.516213 3.598998 4.701014 27 H 9.614644 10.476656 10.065463 3.734469 5.106731 28 H 8.468331 9.351605 9.062859 2.419005 3.734376 29 H 8.852387 9.516252 9.491303 3.218099 4.528144 30 H 9.218051 10.081556 9.386274 4.329991 5.495247 31 H 8.597941 9.234759 8.913787 4.121884 5.213649 32 H 7.716340 8.543053 7.809125 3.797210 4.654566 33 N 5.130657 5.078578 4.923256 6.999746 6.619552 34 H 4.748503 5.205639 4.662510 5.111330 4.862928 35 C 6.423841 6.488393 6.068037 7.593414 7.414721 36 C 5.120683 4.701434 4.908779 8.069253 7.529062 37 H 7.214081 7.104582 6.952644 8.274085 8.170484 38 H 6.686096 6.811867 6.108727 8.264669 8.018026 39 H 6.638258 6.892175 6.324670 6.937709 6.914444 40 H 6.165495 5.635173 5.974083 8.872334 8.427336 41 H 4.576387 3.928876 4.622792 7.826775 7.200043 42 H 4.990307 4.640475 4.518508 8.538476 7.892223 6 7 8 9 10 6 C 0.000000 7 N 1.386158 0.000000 8 C 2.126714 1.290270 0.000000 9 N 2.200043 2.230546 1.379408 0.000000 10 C 1.383668 2.265943 2.193164 1.371413 0.000000 11 N 2.409705 3.539249 3.481661 2.413144 1.316840 12 C 2.631805 3.990249 4.318173 3.514016 2.185343 13 N 2.336402 3.689055 4.395461 3.984976 2.632768 14 H 3.812254 4.206327 3.341997 2.006761 2.484625 15 H 5.543029 5.416262 4.224630 3.398204 4.456106 16 H 4.530900 4.466311 3.471871 2.723678 3.594989 17 N 3.474921 2.385881 1.372182 2.375800 3.494099 18 H 4.793136 4.277382 3.040849 2.781697 4.074813 19 H 5.140968 5.044293 3.919726 3.124030 4.102329 20 C 4.066225 2.754009 2.249245 3.486418 4.420205 21 H 3.706757 5.064239 5.338856 4.420350 3.162623 22 C 2.885445 3.056155 4.331899 4.966418 4.233143 23 H 2.645465 2.460856 3.671994 4.459149 3.958749 24 N 4.211239 4.230218 5.511230 6.259892 5.570189 25 C 5.086274 5.316200 6.604220 7.229294 6.390180 26 C 5.061389 4.709638 5.908692 6.879349 6.427553 27 H 6.046459 6.234393 7.524035 8.185732 7.353866 28 H 4.880276 5.387840 6.647607 7.073434 6.075245 29 H 5.354551 5.480500 6.739110 7.416711 6.652545 30 H 5.973607 5.703492 6.896025 7.829936 7.322497 31 H 5.472526 4.970738 6.130141 7.194220 6.844378 32 H 4.763776 4.234682 5.332982 6.371931 6.071082 33 N 5.394914 4.068834 3.515170 4.658947 5.700230 34 H 3.799755 2.465512 2.473286 3.799991 4.447374 35 C 6.316423 4.963695 4.658813 5.875723 6.798853 36 C 6.211647 4.988275 4.144657 5.017957 6.243566 37 H 7.097001 5.717066 5.440418 6.676804 7.613290 38 H 6.893784 5.602793 5.193198 6.295342 7.268215 39 H 5.954388 4.621124 4.592400 5.887628 6.624930 40 H 7.147072 5.876240 5.128190 6.051386 7.253323 41 H 5.866186 4.737766 3.801591 4.535779 5.784944 42 H 6.538063 5.407362 4.436181 5.123737 6.410933 11 12 13 14 15 11 N 0.000000 12 C 1.320064 0.000000 13 N 2.372365 1.317652 0.000000 14 H 2.470635 3.783823 4.777863 0.000000 15 H 4.768620 6.067471 6.948113 2.463095 0.000000 16 H 4.007392 5.176819 5.909672 2.465069 1.755522 17 N 4.726884 5.658831 5.765744 3.993752 4.103342 18 H 4.842903 6.064891 6.647085 3.039827 1.763730 19 H 4.451188 5.713333 6.548739 2.303625 2.473327 20 C 5.709489 6.498198 6.397223 5.194924 5.295471 21 H 2.035737 1.075291 2.031419 4.294187 6.606063 22 C 4.977087 4.538364 3.418384 6.671329 8.324897 23 H 4.885219 4.704247 3.789766 6.254403 7.795824 24 N 6.295820 5.767217 4.561094 8.006749 9.587585 25 C 6.934681 6.199315 4.904396 8.871783 10.515040 26 C 7.318014 6.955882 5.829244 8.748022 10.117149 27 H 7.883611 7.110456 5.804213 9.833018 11.506801 28 H 6.428860 5.543482 4.228064 8.548624 10.349125 29 H 7.245572 6.571525 5.317813 9.100156 10.572982 30 H 8.141833 7.689405 6.519604 9.653306 11.104722 31 H 7.802249 7.501083 6.391893 9.127229 10.298372 32 H 7.053424 6.853026 5.851107 8.256725 9.552906 33 N 6.970670 7.810884 7.728808 6.189094 5.831983 34 H 5.748278 6.350341 6.055609 5.657138 6.131150 35 C 8.086504 8.822823 8.602375 7.465143 7.216202 36 C 7.425841 8.420513 8.525701 6.198153 5.269076 37 H 8.913407 9.641108 9.386986 8.269863 7.822583 38 H 8.510873 9.300112 9.153486 7.722875 7.426901 39 H 7.920096 8.515899 8.153649 7.624394 7.704724 40 H 8.450196 9.418334 9.470120 7.237620 6.156540 41 H 6.914130 7.943720 8.123235 5.623738 4.527749 42 H 7.519002 8.589926 8.808163 6.052440 5.036338 16 17 18 19 20 16 H 0.000000 17 N 3.629215 0.000000 18 H 1.766420 2.561573 0.000000 19 H 3.580853 3.913856 2.947924 0.000000 20 C 4.870359 1.273726 3.695679 4.894591 0.000000 21 H 5.798131 6.656520 6.833776 6.282243 7.538165 22 C 7.250814 5.330643 7.314925 7.738338 5.247721 23 H 6.875502 4.551920 6.708309 7.042577 4.360962 24 N 8.471666 6.371236 8.484322 9.015512 6.094913 25 C 9.261674 7.538698 9.484219 10.116992 7.353837 26 C 9.091715 6.504612 8.845760 9.460263 5.949540 27 H 10.297341 8.411884 10.454581 10.992457 8.127516 28 H 9.088660 7.721914 9.476977 9.957646 7.702785 29 H 9.205828 7.601525 9.476317 10.414919 7.418157 30 H 10.119988 7.493109 9.861277 10.322757 6.895100 31 H 9.182229 6.598796 8.923636 9.858892 5.981466 32 H 8.671814 5.817909 8.253636 8.743311 5.168806 33 N 5.587103 2.299312 4.167618 5.556713 1.338222 34 H 5.602183 2.057591 4.611623 5.514289 1.078849 35 C 7.021539 3.600515 5.589890 6.698510 2.419635 36 C 5.260860 2.775734 3.661154 5.340597 2.417775 37 H 7.558991 4.336254 6.140912 7.551918 3.213062 38 H 7.476515 4.113037 5.924385 6.649576 3.040972 39 H 7.370414 3.795712 6.090117 7.049432 2.523885 40 H 6.125287 3.778149 4.567703 6.364393 3.269706 41 H 4.365894 2.501599 2.864523 5.037924 2.587589 42 H 5.381542 3.100371 3.648970 4.816155 2.899647 21 22 23 24 25 21 H 0.000000 22 C 5.424061 0.000000 23 H 5.671568 1.077996 0.000000 24 N 6.583167 1.345523 2.037579 0.000000 25 C 6.872629 2.425427 3.364399 1.447682 0.000000 26 C 7.836307 2.422495 2.541237 1.443051 2.466244 27 H 7.738509 3.259352 4.083264 2.072776 1.083935 28 H 6.101732 2.555187 3.607298 2.071824 1.077406 29 H 7.265676 2.959835 3.860841 2.103970 1.087432 30 H 8.506795 3.222299 3.398941 2.082579 2.723678 31 H 8.410813 3.040395 3.178893 2.103802 2.787013 32 H 7.787924 2.528091 2.174182 2.080124 3.381106 33 N 8.842214 6.411964 5.515581 7.124495 8.384785 34 H 7.412025 4.437952 3.494469 5.186738 6.504095 35 C 9.871485 6.797623 5.855649 7.296964 8.603946 36 C 9.398913 7.623143 6.766982 8.418996 9.631336 37 H 10.698437 7.462257 6.588719 7.855390 9.090443 38 H 10.322007 7.461997 6.458720 7.993210 9.354631 39 H 9.575899 6.029885 5.089420 6.415031 7.738646 40 H 10.407688 8.358699 7.519298 9.045261 10.233400 41 H 8.892051 7.532726 6.771373 8.403671 9.527724 42 H 9.525711 8.119448 7.207063 8.986565 10.252881 26 27 28 29 30 26 C 0.000000 27 H 2.626462 0.000000 28 H 3.357578 1.765960 0.000000 29 H 2.871254 1.763755 1.759520 0.000000 30 H 1.084487 2.433229 3.616621 3.269633 0.000000 31 H 1.087893 2.985652 3.792077 2.772565 1.759966 32 H 1.081950 3.621002 4.135506 3.824717 1.754988 33 N 6.780146 9.103284 8.830112 8.382390 7.681844 34 H 4.945225 7.211519 6.916853 6.636595 5.857880 35 C 6.676470 9.182710 9.180714 8.636191 7.452748 36 C 8.162542 10.406536 10.016030 9.575288 9.092394 37 H 7.151903 9.650787 9.733870 9.014058 7.920195 38 H 7.353355 9.894080 9.905422 9.475525 8.057327 39 H 5.696881 8.251166 8.366125 7.816790 6.425713 40 H 8.667800 10.972231 10.695439 10.108884 9.574493 41 H 8.305596 10.378407 9.838442 9.409675 9.296103 42 H 8.758188 11.017631 10.585719 10.287373 9.652343 31 32 33 34 35 31 H 0.000000 32 H 1.759415 0.000000 33 N 6.687928 5.968247 0.000000 34 H 5.036285 4.118315 2.041938 0.000000 35 C 6.552616 5.795795 1.446187 2.556136 0.000000 36 C 8.037749 7.382580 1.448850 3.366767 2.472730 37 H 6.874362 6.351218 2.083855 3.398243 1.083776 38 H 7.333694 6.396766 2.103901 3.209321 1.086953 39 H 5.601813 4.795902 2.081370 2.185802 1.081508 40 H 8.436741 7.907499 2.070278 4.094750 2.584599 41 H 8.155604 7.616758 2.076458 3.628728 3.348313 42 H 8.742037 7.909448 2.104915 3.835335 2.938677 36 37 38 39 40 36 C 0.000000 37 H 2.734680 0.000000 38 H 2.786805 1.760756 0.000000 39 H 3.385384 1.754768 1.759227 0.000000 40 H 1.082766 2.410760 2.891158 3.597536 0.000000 41 H 1.078164 3.570521 3.803607 4.128175 1.762078 42 H 1.086333 3.367328 2.856024 3.868067 1.764735 41 42 41 H 0.000000 42 H 1.758833 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.485831 -2.268676 0.147132 2 6 0 3.466291 -2.137761 -1.008783 3 8 0 3.045637 -1.862942 1.364774 4 7 0 -3.258948 -0.385961 -0.199993 5 6 0 -2.224877 -1.286548 -0.056077 6 6 0 -0.863123 -0.976669 -0.069463 7 7 0 -0.148507 0.204731 -0.192146 8 6 0 1.092678 -0.146435 -0.161473 9 7 0 1.271327 -1.509378 -0.046424 10 6 0 0.010967 -2.044853 0.027942 11 7 0 -0.318951 -3.314560 0.142251 12 6 0 -1.627887 -3.485506 0.147962 13 7 0 -2.569093 -2.568554 0.050296 14 1 0 2.150406 -3.293728 0.218920 15 1 0 4.318871 -2.789499 -0.834812 16 1 0 2.995493 -2.445363 -1.935765 17 7 0 2.190389 0.671094 -0.259249 18 1 0 3.815065 -1.120650 -1.102892 19 1 0 3.802786 -2.400648 1.552613 20 6 0 2.012349 1.896281 0.040079 21 1 0 -1.970652 -4.500583 0.239504 22 6 0 -3.116390 0.801075 0.227529 23 1 0 -2.227192 1.143781 0.731469 24 7 0 -4.079853 1.734458 0.122802 25 6 0 -5.299785 1.452454 -0.603850 26 6 0 -3.797905 3.117500 0.422961 27 1 0 -6.111478 2.024093 -0.168767 28 1 0 -5.521831 0.400392 -0.535547 29 1 0 -5.207886 1.722610 -1.653173 30 1 0 -4.613417 3.550199 0.992016 31 1 0 -3.664750 3.706183 -0.482154 32 1 0 -2.895248 3.193315 1.014633 33 7 0 2.955494 2.834078 -0.107752 34 1 0 1.071646 2.255698 0.427135 35 6 0 2.799701 4.137875 0.498298 36 6 0 4.277277 2.473185 -0.578722 37 1 0 3.097336 4.911033 -0.200422 38 1 0 3.404565 4.235150 1.396154 39 1 0 1.764168 4.301340 0.764019 40 1 0 4.748174 3.349674 -1.005812 41 1 0 4.196393 1.708886 -1.334858 42 1 0 4.898687 2.098755 0.229840 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3212733 0.1991168 0.1278761 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3781841429 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000038 -0.000073 0.000116 Ang= 0.02 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37963143 A.U. after 10 cycles NFock= 10 Conv=0.38D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000009975 0.000043995 0.000017199 2 6 0.000003416 -0.000022221 0.000008195 3 8 -0.000009152 -0.000005716 -0.000008862 4 7 0.000066276 0.000060252 -0.000012580 5 6 -0.000094380 0.000020403 0.000079472 6 6 0.000070980 -0.000071354 0.000022696 7 7 -0.000130275 0.000039175 0.000001052 8 6 0.000182191 -0.000051800 -0.000044148 9 7 -0.000070728 -0.000150617 0.000076751 10 6 -0.000009953 0.000163538 -0.000128006 11 7 0.000040160 -0.000180227 0.000096388 12 6 -0.000093622 0.000177233 -0.000074177 13 7 0.000094693 -0.000024008 -0.000035390 14 1 0.000005615 0.000005336 0.000001895 15 1 -0.000003628 0.000011283 -0.000014788 16 1 0.000000484 -0.000002826 0.000005293 17 7 -0.000003965 0.000013417 0.000054215 18 1 0.000008351 0.000003831 0.000000311 19 1 0.000001261 0.000003947 0.000004768 20 6 -0.000040958 0.000021009 0.000035791 21 1 0.000006494 -0.000008552 0.000001008 22 6 -0.000074457 -0.000054321 -0.000092642 23 1 -0.000004062 0.000000001 0.000008271 24 7 0.000075867 -0.000022199 0.000091655 25 6 -0.000019222 0.000010214 0.000009492 26 6 -0.000010296 0.000009136 -0.000022770 27 1 0.000002058 -0.000000770 -0.000008661 28 1 0.000006347 -0.000009994 0.000007249 29 1 -0.000018175 -0.000010932 -0.000004638 30 1 -0.000002976 -0.000010147 -0.000008857 31 1 0.000001220 0.000017008 -0.000006770 32 1 -0.000001059 0.000005774 0.000019499 33 7 0.000061663 -0.000088465 -0.000133756 34 1 -0.000006011 0.000000462 -0.000023573 35 6 -0.000015612 0.000074188 0.000061529 36 6 -0.000009302 0.000025047 0.000023349 37 1 -0.000009373 -0.000018138 -0.000001081 38 1 0.000018589 0.000018897 0.000003259 39 1 -0.000010932 -0.000004163 -0.000011119 40 1 -0.000000880 -0.000003673 -0.000007377 41 1 0.000002546 0.000005799 0.000010105 42 1 0.000000783 0.000010180 -0.000000248 ------------------------------------------------------------------- Cartesian Forces: Max 0.000182191 RMS 0.000053093 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000158107 RMS 0.000027173 Search for a local minimum. Step number 26 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 DE= -1.11D-06 DEPred=-7.18D-07 R= 1.55D+00 TightC=F SS= 1.41D+00 RLast= 2.24D-02 DXNew= 2.8153D+00 6.7190D-02 Trust test= 1.55D+00 RLast= 2.24D-02 DXMaxT set to 1.67D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 0 1 0 Eigenvalues --- 0.00088 0.00097 0.00184 0.00248 0.00507 Eigenvalues --- 0.00644 0.00844 0.01197 0.01242 0.01494 Eigenvalues --- 0.01643 0.02068 0.02101 0.02145 0.02312 Eigenvalues --- 0.02328 0.02569 0.02590 0.02615 0.02754 Eigenvalues --- 0.03038 0.03290 0.03322 0.03449 0.03866 Eigenvalues --- 0.04992 0.05456 0.05587 0.05701 0.06162 Eigenvalues --- 0.06627 0.07396 0.07484 0.07573 0.07602 Eigenvalues --- 0.07671 0.07809 0.07945 0.08084 0.08418 Eigenvalues --- 0.15585 0.15853 0.15897 0.15941 0.15972 Eigenvalues --- 0.15980 0.15993 0.16000 0.16003 0.16006 Eigenvalues --- 0.16011 0.16019 0.16064 0.16078 0.16171 Eigenvalues --- 0.16316 0.16700 0.17375 0.18047 0.18659 Eigenvalues --- 0.20720 0.22238 0.22374 0.22973 0.23667 Eigenvalues --- 0.23996 0.24199 0.24403 0.24490 0.24913 Eigenvalues --- 0.25002 0.25234 0.25956 0.26281 0.27570 Eigenvalues --- 0.28553 0.32712 0.32820 0.33033 0.33201 Eigenvalues --- 0.33347 0.33417 0.33539 0.33568 0.33625 Eigenvalues --- 0.33643 0.33684 0.33691 0.33753 0.33781 Eigenvalues --- 0.33887 0.33945 0.34731 0.36208 0.37506 Eigenvalues --- 0.38698 0.39189 0.39685 0.39855 0.40120 Eigenvalues --- 0.40584 0.40699 0.41229 0.42002 0.43009 Eigenvalues --- 0.45534 0.47874 0.48314 0.50884 0.51565 Eigenvalues --- 0.52994 0.54593 0.59820 0.59914 0.65881 Eigenvalues --- 0.68861 0.70950 0.74973 0.75647 0.87361 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 19 18 17 RFO step: Lambda=-1.61032531D-06. DIIS inversion failure, remove point 10. RFO-DIIS uses 9 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.79391 -0.40195 -0.56326 0.01326 0.25637 RFO-DIIS coefs: -0.15055 0.01965 0.05544 -0.02286 0.00000 Iteration 1 RMS(Cart)= 0.00572715 RMS(Int)= 0.00001685 Iteration 2 RMS(Cart)= 0.00002203 RMS(Int)= 0.00000291 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000291 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87498 0.00000 0.00005 -0.00002 0.00003 2.87501 R2 2.64606 0.00000 -0.00005 0.00006 0.00001 2.64607 R3 2.73130 -0.00002 0.00002 -0.00009 -0.00007 2.73123 R4 2.04265 0.00001 0.00002 -0.00001 0.00001 2.04266 R5 2.05444 -0.00001 0.00001 -0.00003 -0.00002 2.05442 R6 2.04891 0.00000 -0.00001 0.00001 0.00000 2.04891 R7 2.03969 -0.00001 -0.00000 0.00000 -0.00000 2.03969 R8 1.79045 -0.00000 0.00004 -0.00004 0.00001 1.79045 R9 2.60554 -0.00002 -0.00008 -0.00005 -0.00013 2.60541 R10 2.39940 0.00008 0.00016 0.00010 0.00026 2.39965 R11 2.63925 0.00002 0.00045 -0.00012 0.00033 2.63958 R12 2.51649 0.00006 -0.00024 0.00023 -0.00001 2.51648 R13 2.61946 0.00000 0.00012 -0.00001 0.00012 2.61958 R14 2.61475 -0.00003 -0.00018 0.00006 -0.00012 2.61463 R15 2.43826 0.00007 0.00004 0.00007 0.00010 2.43836 R16 2.60670 -0.00008 -0.00017 -0.00010 -0.00027 2.60643 R17 2.59305 -0.00004 0.00016 -0.00009 0.00007 2.59312 R18 2.59159 0.00011 0.00005 0.00014 0.00019 2.59179 R19 2.48847 -0.00004 0.00017 -0.00015 0.00002 2.48848 R20 2.49456 0.00016 -0.00024 0.00025 0.00002 2.49457 R21 2.49000 -0.00005 0.00017 -0.00015 0.00002 2.49003 R22 2.03201 -0.00000 0.00001 -0.00000 0.00000 2.03201 R23 2.40699 -0.00000 -0.00016 0.00006 -0.00010 2.40689 R24 2.52887 -0.00006 0.00019 -0.00012 0.00007 2.52895 R25 2.03873 0.00002 0.00001 0.00003 0.00004 2.03877 R26 2.03712 -0.00000 -0.00016 0.00005 -0.00011 2.03701 R27 2.54267 -0.00005 -0.00012 -0.00013 -0.00025 2.54242 R28 2.73572 -0.00001 -0.00001 0.00000 -0.00001 2.73571 R29 2.72697 -0.00000 -0.00003 0.00000 -0.00002 2.72695 R30 2.04834 0.00000 0.00007 -0.00001 0.00006 2.04840 R31 2.03600 -0.00000 -0.00006 0.00002 -0.00004 2.03596 R32 2.05495 -0.00000 -0.00000 -0.00001 -0.00001 2.05494 R33 2.04938 0.00001 0.00010 0.00000 0.00011 2.04949 R34 2.05582 -0.00000 -0.00006 -0.00002 -0.00008 2.05574 R35 2.04459 -0.00001 -0.00004 -0.00000 -0.00005 2.04454 R36 2.73290 -0.00003 -0.00009 0.00002 -0.00007 2.73283 R37 2.73793 -0.00001 0.00007 -0.00002 0.00005 2.73798 R38 2.04804 0.00001 -0.00002 0.00001 -0.00001 2.04803 R39 2.05404 -0.00002 0.00006 -0.00005 0.00001 2.05406 R40 2.04375 0.00001 0.00001 0.00002 0.00003 2.04378 R41 2.04613 -0.00000 -0.00003 -0.00001 -0.00004 2.04609 R42 2.03743 0.00001 0.00005 0.00004 0.00008 2.03752 R43 2.05287 -0.00001 -0.00001 -0.00002 -0.00002 2.05285 A1 1.95856 -0.00001 0.00002 -0.00002 0.00001 1.95857 A2 1.97640 0.00004 0.00010 -0.00003 0.00007 1.97647 A3 1.90927 -0.00001 -0.00013 0.00012 -0.00001 1.90926 A4 1.87567 -0.00002 0.00002 -0.00008 -0.00006 1.87561 A5 1.91888 0.00001 -0.00001 0.00006 0.00005 1.91893 A6 1.81969 -0.00001 0.00000 -0.00006 -0.00006 1.81963 A7 1.90946 -0.00002 -0.00005 -0.00007 -0.00012 1.90935 A8 1.92339 0.00001 -0.00001 0.00004 0.00003 1.92343 A9 1.93433 0.00001 0.00004 0.00003 0.00007 1.93440 A10 1.88311 0.00000 -0.00002 -0.00000 -0.00002 1.88310 A11 1.90229 0.00001 0.00005 -0.00002 0.00004 1.90233 A12 1.91039 -0.00001 -0.00002 0.00002 -0.00000 1.91039 A13 1.90440 -0.00001 0.00004 -0.00008 -0.00004 1.90436 A14 2.08437 -0.00006 0.00058 -0.00023 0.00036 2.08473 A15 2.19608 -0.00001 0.00079 0.00003 0.00082 2.19690 A16 2.03006 0.00002 -0.00057 0.00005 -0.00051 2.02955 A17 2.05601 -0.00001 -0.00021 -0.00006 -0.00027 2.05574 A18 2.33590 -0.00004 0.00017 -0.00011 0.00006 2.33596 A19 2.03083 0.00001 -0.00005 0.00001 -0.00004 2.03079 A20 1.91613 0.00003 -0.00012 0.00010 -0.00002 1.91611 A21 1.83574 -0.00003 0.00007 -0.00011 -0.00004 1.83570 A22 1.97739 0.00003 -0.00005 0.00010 0.00005 1.97744 A23 2.22144 -0.00011 -0.00007 -0.00016 -0.00023 2.22120 A24 2.08405 0.00007 0.00013 0.00005 0.00018 2.08423 A25 2.26408 0.00005 -0.00013 0.00010 -0.00003 2.26405 A26 2.16501 -0.00004 0.00009 -0.00010 -0.00001 2.16500 A27 1.84553 -0.00002 0.00001 -0.00000 0.00001 1.84554 A28 1.84972 -0.00002 0.00010 -0.00010 -0.00000 1.84971 A29 2.20459 0.00004 0.00013 0.00013 0.00026 2.20484 A30 2.22867 -0.00003 -0.00023 -0.00003 -0.00026 2.22842 A31 1.95375 -0.00003 -0.00004 -0.00012 -0.00016 1.95359 A32 2.23680 -0.00001 -0.00008 0.00003 -0.00005 2.23675 A33 2.02494 -0.00000 0.00012 -0.00011 0.00001 2.02494 A34 2.02144 0.00002 -0.00004 0.00008 0.00004 2.02148 A35 2.08430 0.00000 0.00026 0.00001 0.00027 2.08457 A36 2.03143 -0.00013 0.00041 -0.00030 0.00011 2.03154 A37 2.15268 -0.00001 -0.00010 -0.00009 -0.00019 2.15249 A38 2.12544 0.00000 0.00018 -0.00001 0.00016 2.12561 A39 2.00501 0.00001 -0.00007 0.00010 0.00003 2.00504 A40 2.14985 0.00000 0.00025 -0.00004 0.00021 2.15006 A41 2.14352 -0.00000 -0.00021 0.00000 -0.00020 2.14332 A42 1.98941 -0.00000 -0.00004 0.00005 0.00001 1.98942 A43 2.10289 0.00003 0.00063 0.00007 0.00070 2.10359 A44 2.10453 0.00003 0.00053 0.00009 0.00061 2.10515 A45 2.04401 -0.00006 -0.00053 0.00008 -0.00045 2.04356 A46 1.90374 -0.00000 0.00016 -0.00003 0.00013 1.90387 A47 1.90929 -0.00001 0.00002 -0.00001 0.00001 1.90930 A48 1.94415 -0.00001 -0.00032 -0.00001 -0.00033 1.94382 A49 1.91260 0.00001 0.00003 0.00003 0.00006 1.91266 A50 1.89610 0.00000 -0.00012 0.00000 -0.00012 1.89598 A51 1.89777 0.00001 0.00023 0.00002 0.00025 1.89802 A52 1.92263 0.00001 0.00034 0.00009 0.00043 1.92305 A53 1.94924 -0.00002 -0.00050 -0.00005 -0.00055 1.94869 A54 1.92188 0.00000 0.00007 0.00003 0.00010 1.92198 A55 1.88883 0.00000 0.00001 -0.00004 -0.00003 1.88880 A56 1.88858 -0.00000 0.00015 0.00001 0.00016 1.88874 A57 1.89120 0.00000 -0.00006 -0.00004 -0.00010 1.89110 A58 2.10547 -0.00000 -0.00001 -0.00004 -0.00003 2.10544 A59 2.09939 -0.00002 -0.00041 -0.00001 -0.00040 2.09899 A60 2.04774 0.00003 -0.00020 0.00033 0.00015 2.04789 A61 1.92132 0.00003 -0.00015 0.00018 0.00003 1.92136 A62 1.94647 -0.00004 0.00032 -0.00029 0.00003 1.94650 A63 1.92024 0.00002 -0.00015 0.00015 -0.00000 1.92024 A64 1.89218 0.00000 0.00006 -0.00004 0.00002 1.89220 A65 1.88970 -0.00001 -0.00011 0.00007 -0.00004 1.88967 A66 1.89267 0.00000 0.00002 -0.00006 -0.00005 1.89262 A67 1.90006 -0.00000 -0.00009 -0.00001 -0.00009 1.89996 A68 1.91358 0.00000 0.00002 0.00005 0.00008 1.91366 A69 1.94525 -0.00000 0.00007 -0.00002 0.00006 1.94531 A70 1.90693 0.00000 -0.00004 0.00002 -0.00003 1.90690 A71 1.90056 0.00000 0.00007 -0.00001 0.00007 1.90063 A72 1.89713 -0.00000 -0.00004 -0.00004 -0.00008 1.89705 D1 1.08900 0.00000 0.00002 0.00045 0.00048 1.08948 D2 -3.12644 -0.00000 -0.00003 0.00043 0.00040 -3.12604 D3 -1.00908 0.00000 -0.00003 0.00050 0.00047 -1.00862 D4 -3.06682 0.00000 0.00014 0.00031 0.00045 -3.06637 D5 -0.99908 -0.00000 0.00008 0.00029 0.00038 -0.99871 D6 1.11828 0.00000 0.00008 0.00036 0.00044 1.11872 D7 -1.04558 0.00001 0.00011 0.00030 0.00041 -1.04517 D8 1.02216 0.00000 0.00006 0.00028 0.00034 1.02250 D9 3.13952 0.00001 0.00005 0.00035 0.00040 3.13992 D10 -1.04456 0.00002 0.00064 -0.00012 0.00052 -1.04404 D11 3.05479 -0.00002 0.00049 -0.00001 0.00048 3.05526 D12 1.08456 0.00000 0.00049 0.00007 0.00056 1.08511 D13 -1.10553 0.00000 -0.00082 0.00046 -0.00037 -1.10590 D14 2.19692 0.00001 -0.00053 0.00048 -0.00005 2.19687 D15 1.06756 0.00000 -0.00072 0.00036 -0.00036 1.06720 D16 -1.91317 0.00000 -0.00042 0.00038 -0.00004 -1.91321 D17 3.10393 0.00000 -0.00072 0.00036 -0.00036 3.10357 D18 0.12319 0.00000 -0.00042 0.00038 -0.00004 0.12315 D19 -0.55218 0.00001 0.00690 -0.00067 0.00623 -0.54595 D20 2.63946 -0.00002 0.00665 -0.00131 0.00534 2.64481 D21 -0.03238 -0.00001 0.00015 -0.00016 -0.00001 -0.03239 D22 -3.14156 -0.00002 -0.00029 -0.00048 -0.00077 3.14086 D23 0.02233 -0.00001 -0.00010 -0.00046 -0.00056 0.02177 D24 -3.08893 -0.00001 -0.00003 -0.00045 -0.00048 -3.08940 D25 3.11320 0.00001 0.00014 0.00019 0.00034 3.11354 D26 0.00194 0.00001 0.00021 0.00021 0.00042 0.00236 D27 3.10451 0.00001 0.00013 0.00021 0.00033 3.10485 D28 0.00880 -0.00001 -0.00013 -0.00038 -0.00052 0.00828 D29 -3.11841 0.00000 0.00016 -0.00008 0.00008 -3.11833 D30 -0.00570 0.00000 0.00009 -0.00009 -0.00000 -0.00570 D31 3.11047 -0.00001 -0.00008 -0.00018 -0.00026 3.11020 D32 -0.01045 -0.00000 -0.00017 0.00004 -0.00013 -0.01058 D33 -0.00787 -0.00001 -0.00004 -0.00016 -0.00020 -0.00807 D34 -3.12879 0.00000 -0.00012 0.00005 -0.00007 -3.12886 D35 0.01766 0.00000 -0.00011 0.00033 0.00021 0.01787 D36 3.13205 -0.00001 0.00021 -0.00042 -0.00021 3.13184 D37 -3.02616 -0.00000 0.00034 -0.00041 -0.00007 -3.02622 D38 -0.02289 -0.00001 0.00010 -0.00043 -0.00034 -0.02322 D39 0.14029 0.00001 0.00005 0.00027 0.00033 0.14061 D40 -3.13963 0.00001 -0.00019 0.00025 0.00005 -3.13958 D41 0.38752 0.00001 0.00360 0.00002 0.00362 0.39114 D42 -2.78276 0.00000 0.00394 -0.00076 0.00318 -2.77958 D43 3.03072 0.00001 -0.00028 0.00033 0.00005 3.03077 D44 -0.13193 0.00001 -0.00019 0.00012 -0.00007 -0.13200 D45 0.01747 0.00001 -0.00003 0.00034 0.00031 0.01778 D46 3.13801 0.00000 0.00006 0.00012 0.00018 3.13819 D47 0.00677 -0.00000 0.00002 -0.00009 -0.00007 0.00670 D48 -3.10971 0.00000 -0.00008 0.00017 0.00009 -3.10962 D49 0.00585 -0.00000 0.00008 -0.00011 -0.00003 0.00582 D50 -3.14081 0.00001 0.00006 0.00006 0.00013 -3.14068 D51 -0.01390 0.00001 -0.00002 0.00036 0.00034 -0.01356 D52 3.13275 0.00000 -0.00001 0.00019 0.00018 3.13293 D53 -3.04525 -0.00001 0.00039 0.00006 0.00045 -3.04480 D54 0.08518 0.00000 0.00028 0.00003 0.00031 0.08550 D55 -2.91633 -0.00001 0.00188 -0.00087 0.00101 -2.91532 D56 -0.04490 0.00001 -0.00056 0.00042 -0.00014 -0.04504 D57 0.23572 -0.00003 0.00198 -0.00084 0.00114 0.23686 D58 3.10715 0.00000 -0.00046 0.00045 -0.00001 3.10714 D59 -0.09916 0.00000 0.00054 0.00051 0.00105 -0.09811 D60 -2.96500 0.00000 -0.00208 -0.00050 -0.00258 -2.96758 D61 3.07212 -0.00001 0.00014 0.00022 0.00035 3.07248 D62 0.20629 -0.00001 -0.00248 -0.00079 -0.00328 0.20301 D63 2.61721 -0.00002 -0.00607 -0.00091 -0.00698 2.61023 D64 0.52542 -0.00002 -0.00622 -0.00092 -0.00714 0.51828 D65 -1.57314 -0.00002 -0.00632 -0.00093 -0.00725 -1.58039 D66 -0.79087 -0.00000 -0.00339 0.00007 -0.00332 -0.79419 D67 -2.88267 -0.00000 -0.00353 0.00006 -0.00348 -2.88614 D68 1.30196 -0.00001 -0.00363 0.00005 -0.00359 1.29838 D69 -2.40574 0.00002 0.00826 0.00046 0.00872 -2.39702 D70 1.77792 0.00002 0.00835 0.00049 0.00883 1.78675 D71 -0.32409 0.00003 0.00871 0.00055 0.00925 -0.31483 D72 1.00261 0.00000 0.00556 -0.00051 0.00504 1.00765 D73 -1.09692 0.00001 0.00564 -0.00049 0.00515 -1.09177 D74 3.08426 0.00001 0.00600 -0.00043 0.00557 3.08983 D75 -2.38875 -0.00000 -0.00200 0.00029 -0.00172 -2.39047 D76 1.79338 0.00000 -0.00219 0.00041 -0.00178 1.79161 D77 -0.30755 0.00002 -0.00232 0.00058 -0.00174 -0.30929 D78 1.01525 -0.00003 0.00040 -0.00092 -0.00051 1.01474 D79 -1.08579 -0.00002 0.00022 -0.00079 -0.00058 -1.08637 D80 3.09646 -0.00000 0.00008 -0.00062 -0.00054 3.09592 D81 2.74684 -0.00000 0.00416 -0.00035 0.00380 2.75064 D82 0.66162 -0.00001 0.00425 -0.00040 0.00385 0.66546 D83 -1.43968 -0.00001 0.00424 -0.00037 0.00386 -1.43582 D84 -0.65621 0.00002 0.00182 0.00084 0.00267 -0.65355 D85 -2.74143 0.00002 0.00191 0.00080 0.00271 -2.73872 D86 1.44046 0.00002 0.00190 0.00082 0.00272 1.44318 Item Value Threshold Converged? Maximum Force 0.000158 0.000450 YES RMS Force 0.000027 0.000300 YES Maximum Displacement 0.036330 0.001800 NO RMS Displacement 0.005731 0.001200 NO Predicted change in Energy=-7.866932D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.956387 -4.939908 2.056039 2 6 0 7.183685 -5.226348 3.532830 3 8 0 6.829341 -6.113269 1.302546 4 7 0 2.997454 -0.799547 0.091866 5 6 0 4.229872 -1.387232 0.283317 6 6 0 4.468462 -2.588158 0.955567 7 7 0 3.650957 -3.520282 1.575595 8 6 0 4.454095 -4.413076 2.047644 9 7 0 5.782963 -4.134225 1.805316 10 6 0 5.793071 -2.965307 1.087972 11 7 0 6.840261 -2.308911 0.633409 12 6 0 6.493750 -1.195869 0.014008 13 7 0 5.282707 -0.711451 -0.172954 14 1 0 7.774421 -4.344322 1.675904 15 1 0 8.118177 -5.768083 3.655891 16 1 0 7.261624 -4.297553 4.086755 17 7 0 4.120298 -5.538385 2.758450 18 1 0 6.377784 -5.819626 3.937254 19 1 0 7.621812 -6.625216 1.389670 20 6 0 2.930547 -5.968728 2.611685 21 1 0 7.300378 -0.607387 -0.385111 22 6 0 1.966980 -1.532893 -0.021385 23 1 0 2.004559 -2.610043 -0.004551 24 7 0 0.732647 -1.031576 -0.208960 25 6 0 0.505774 0.397693 -0.170383 26 6 0 -0.428299 -1.883846 -0.118400 27 1 0 -0.319846 0.643365 -0.828394 28 1 0 1.394618 0.910040 -0.499346 29 1 0 0.260737 0.733073 0.834590 30 1 0 -1.123713 -1.655154 -0.918609 31 1 0 -0.946696 -1.756576 0.829488 32 1 0 -0.136297 -2.921558 -0.210323 33 7 0 2.424983 -6.987680 3.316726 34 1 0 2.247707 -5.522228 1.905762 35 6 0 1.180955 -7.610919 2.922618 36 6 0 3.254130 -7.700175 4.267573 37 1 0 0.562320 -7.790799 3.794108 38 1 0 1.351700 -8.559939 2.420933 39 1 0 0.638112 -6.961086 2.249767 40 1 0 2.615003 -8.187193 4.993290 41 1 0 3.903014 -7.004653 4.775243 42 1 0 3.865566 -8.451965 3.776602 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521390 0.000000 3 O 1.400239 2.426181 0.000000 4 N 6.055882 6.997237 6.662187 0.000000 5 C 4.816423 5.832937 5.489215 1.378724 0.000000 6 C 3.596044 4.579822 4.256823 2.471634 1.396807 7 N 3.629329 4.384244 4.110992 3.167163 2.560279 8 C 2.557165 3.212141 3.014568 4.359410 3.509823 9 N 1.445307 2.477713 2.294406 4.670658 3.503504 10 C 2.487871 3.608801 3.321078 3.673992 2.362495 11 N 2.993243 4.127472 3.862771 4.163966 2.790374 12 C 4.289726 5.394709 5.094484 3.519548 2.287857 13 N 5.064529 6.142544 5.809372 2.302232 1.331662 14 H 1.080927 2.138952 2.040036 6.155812 4.821567 15 H 2.143632 1.087150 2.705270 7.975614 6.759070 16 H 2.151649 1.084235 3.351941 6.810163 5.668124 17 N 2.982442 3.175117 3.128747 5.552300 4.834290 18 H 2.155842 1.079358 2.689203 7.170413 6.132772 19 H 1.930570 2.596522 0.947466 7.550324 6.337645 20 C 4.192207 4.414614 4.115255 5.751035 5.300911 21 H 4.984805 6.057944 5.777958 4.333541 3.237740 22 C 6.388867 7.313554 6.809933 1.269842 2.287956 23 H 5.847640 6.795694 6.104065 2.067132 2.555416 24 N 7.690268 8.556460 8.079476 2.296451 3.549565 25 C 8.663564 9.483571 9.195087 2.776802 4.154601 26 C 8.282589 9.079983 8.519415 3.599403 4.701761 27 H 9.614388 10.477442 10.064983 3.732741 5.104817 28 H 8.466709 9.350241 9.061451 2.416879 3.732116 29 H 8.860383 9.524831 9.499365 3.223381 4.533611 30 H 9.215539 10.078769 9.383996 4.328642 5.493385 31 H 8.607947 9.243943 8.925878 4.125084 5.218389 32 H 7.714681 8.538465 7.809987 3.796663 4.654167 33 N 5.129944 5.078802 4.921370 7.001460 6.619986 34 H 4.746931 5.205648 4.658816 5.114299 4.864103 35 C 6.421907 6.487781 6.063980 7.596553 7.415935 36 C 5.120222 4.701177 4.908338 8.069763 7.528587 37 H 7.213360 7.105430 6.949643 8.277324 8.172042 38 H 6.682088 6.808905 6.102584 8.267814 8.018791 39 H 6.636513 6.892031 6.320391 6.941729 6.916323 40 H 6.166030 5.636701 5.973558 8.873981 8.427996 41 H 4.580430 3.933034 4.627913 7.826711 7.199976 42 H 4.984782 4.633998 4.513802 8.537587 7.889626 6 7 8 9 10 6 C 0.000000 7 N 1.386220 0.000000 8 C 2.126773 1.290326 0.000000 9 N 2.200070 2.230503 1.379265 0.000000 10 C 1.383605 2.265927 2.193139 1.371514 0.000000 11 N 2.409812 3.539321 3.481574 2.413092 1.316848 12 C 2.631880 3.990353 4.318135 3.513963 2.185237 13 N 2.336361 3.689114 4.395416 3.984870 2.632542 14 H 3.812134 4.206193 3.341779 2.006688 2.484571 15 H 5.542932 5.416298 4.224689 3.398139 4.455993 16 H 4.530797 4.466205 3.471820 2.723615 3.595027 17 N 3.474974 2.385826 1.372219 2.375833 3.494194 18 H 4.793574 4.277849 3.041313 2.782004 4.075221 19 H 5.141001 5.044092 3.919301 3.123966 4.102468 20 C 4.066468 2.754517 2.249310 3.485959 4.419987 21 H 3.706834 5.064346 5.338810 4.420306 3.162552 22 C 2.885383 3.055461 4.331521 4.966436 4.233375 23 H 2.644451 2.456832 3.669149 4.458148 3.958869 24 N 4.211341 4.230229 5.511441 6.260146 5.570390 25 C 5.087825 5.318942 6.606994 7.231209 6.391302 26 C 5.062384 4.710401 5.909866 6.880746 6.428868 27 H 6.045920 6.235575 7.525271 8.185723 7.352736 28 H 4.878799 5.387412 6.647038 7.072033 6.073244 29 H 5.361918 5.489419 6.748230 7.424815 6.659500 30 H 5.971219 5.700634 6.893238 7.827370 7.320162 31 H 5.480088 4.980538 6.140801 7.203733 6.852176 32 H 4.761750 4.229807 5.328671 6.369537 6.070000 33 N 5.395060 4.069078 3.515174 4.658605 5.700074 34 H 3.800446 2.466964 2.473559 3.799300 4.447047 35 C 6.317050 4.964745 4.658887 5.874883 6.798474 36 C 6.211015 4.987557 4.144035 5.017341 6.243000 37 H 7.098080 5.718286 5.441053 6.676896 7.613757 38 H 6.893742 5.603510 5.192367 6.293014 7.266531 39 H 5.955589 4.622865 4.592923 5.887120 6.624924 40 H 7.147567 5.876554 5.128650 6.051917 7.253944 41 H 5.866437 4.737311 3.802599 4.538065 5.786588 42 H 6.534979 5.404811 4.432638 5.119107 6.406825 11 12 13 14 15 11 N 0.000000 12 C 1.320072 0.000000 13 N 2.372356 1.317665 0.000000 14 H 2.470293 3.783487 4.777517 0.000000 15 H 4.768054 6.066895 6.947623 2.462846 0.000000 16 H 4.007223 5.176614 5.909429 2.465228 1.755501 17 N 4.726891 5.658858 5.765727 3.993783 4.103802 18 H 4.842973 6.065017 6.647289 3.039872 1.763743 19 H 4.451206 5.713386 6.548726 2.303844 2.473220 20 C 5.709089 6.498040 6.397330 5.193987 5.295481 21 H 2.035750 1.075293 2.031461 4.293855 6.605398 22 C 4.977934 4.539437 3.419326 6.671679 8.324447 23 H 4.886889 4.706704 3.792000 6.254835 7.794124 24 N 6.296358 5.767757 4.561450 8.007096 9.587368 25 C 6.935237 6.199136 4.904008 8.872920 10.516931 26 C 7.319690 6.957413 5.830358 8.749748 10.118044 27 H 7.881620 7.107567 5.801184 9.831871 11.507202 28 H 6.426493 5.540716 4.225282 8.546457 10.347443 29 H 7.251502 6.576064 5.321840 9.107316 10.581311 30 H 8.140088 7.688072 6.518343 9.650902 11.102016 31 H 7.808984 7.505974 6.395518 9.136232 10.307893 32 H 7.054047 6.854623 5.852485 8.256003 9.549170 33 N 6.970348 7.810754 7.728875 6.188386 5.832229 34 H 5.747681 6.350196 6.056060 5.655517 6.130727 35 C 8.085760 8.822622 8.602883 7.463160 7.215177 36 C 7.425174 8.419854 8.525003 6.197703 5.269353 37 H 8.913678 9.641790 9.388121 8.269183 7.823135 38 H 8.508519 9.298575 9.153133 7.718669 7.423260 39 H 7.919722 8.516152 8.154740 7.622578 7.704013 40 H 8.450773 9.418945 9.470662 7.238253 6.158380 41 H 6.916083 7.945014 8.123583 5.627705 4.533172 42 H 7.514358 8.585766 8.804705 6.046884 5.030157 16 17 18 19 20 16 H 0.000000 17 N 3.629322 0.000000 18 H 1.766417 2.562209 0.000000 19 H 3.580784 3.913484 2.947332 0.000000 20 C 4.871024 1.273673 3.696323 4.892061 0.000000 21 H 5.797966 6.656547 6.833846 6.282311 7.537917 22 C 7.249373 5.329937 7.314512 7.739506 5.247681 23 H 6.871914 4.548154 6.705545 7.044075 4.356938 24 N 8.470379 6.371266 8.484344 9.016930 6.096088 25 C 9.263372 7.541874 9.487267 10.118943 7.358719 26 C 9.090886 6.505510 8.846550 9.463569 5.951594 27 H 10.298060 8.413939 10.456572 10.991906 8.131358 28 H 9.086975 7.721707 9.476485 9.956225 7.704223 29 H 9.213913 7.611087 9.485919 10.422953 7.429677 30 H 10.116808 7.489986 9.858736 10.320555 6.892527 31 H 9.189280 6.610401 8.933901 9.871007 5.995955 32 H 8.665303 5.812056 8.248299 8.744445 5.162801 33 N 5.587738 2.299179 4.168217 5.554453 1.338260 34 H 5.603206 2.057653 4.612259 5.510348 1.078870 35 C 7.021976 3.600290 5.589745 6.693742 2.419616 36 C 5.260279 2.775074 3.660982 5.339898 2.417556 37 H 7.561023 4.336492 6.142119 7.548266 3.213497 38 H 7.474630 4.112037 5.921998 6.642361 3.040316 39 H 7.371556 3.795848 6.090516 7.044476 2.524088 40 H 6.127168 3.778440 4.569366 6.363488 3.270045 41 H 4.368371 2.502920 2.868972 5.043366 2.588400 42 H 5.374805 3.096848 3.642286 4.810804 2.897888 21 22 23 24 25 21 H 0.000000 22 C 5.425310 0.000000 23 H 5.674606 1.077937 0.000000 24 N 6.583772 1.345393 2.037426 0.000000 25 C 6.871894 2.425796 3.364570 1.447677 0.000000 26 C 7.837916 2.422796 2.541481 1.443038 2.465890 27 H 7.734901 3.258364 4.082431 2.072888 1.083965 28 H 6.098658 2.554206 3.606638 2.071811 1.077385 29 H 7.269184 2.962864 3.862836 2.103731 1.087426 30 H 8.505747 3.220612 3.396086 2.082912 2.725665 31 H 8.414874 3.043604 3.183384 2.103376 2.783934 32 H 7.790383 2.527422 2.173166 2.080168 3.381018 33 N 8.842014 6.411510 5.511020 7.125282 8.389698 34 H 7.411696 4.439313 3.491309 5.189741 6.510774 35 C 9.871062 6.799073 5.852811 7.300378 8.611643 36 C 9.398257 7.621502 6.761798 8.418281 9.634541 37 H 10.699005 7.462737 6.584079 7.857523 9.097901 38 H 10.320065 7.464775 6.458364 7.998489 9.363209 39 H 9.575900 6.032355 5.087308 6.419764 7.747662 40 H 10.408333 8.357428 7.513697 9.044862 10.237804 41 H 8.893613 7.529676 6.764847 8.400664 9.528651 42 H 9.521301 8.118059 7.203368 8.986771 10.255892 26 27 28 29 30 26 C 0.000000 27 H 2.627289 0.000000 28 H 3.357669 1.766005 0.000000 29 H 2.869011 1.763700 1.759655 0.000000 30 H 1.084544 2.436705 3.619115 3.270174 0.000000 31 H 1.087853 2.983493 3.789247 2.766998 1.759961 32 H 1.081925 3.622759 4.136228 3.821755 1.755118 33 N 6.781625 9.107632 8.831650 8.393748 7.679007 34 H 4.949350 7.216819 6.919998 6.650132 5.856433 35 C 6.681082 9.189978 9.184891 8.650368 7.452359 36 C 8.162520 10.409460 10.015843 9.584647 9.088689 37 H 7.154100 9.658202 9.738125 9.028073 7.918242 38 H 7.361171 9.902172 9.910115 9.490351 8.059545 39 H 5.702965 8.259566 8.371652 7.832320 6.426161 40 H 8.667366 10.976524 10.696636 10.119708 9.570584 41 H 8.302450 10.379088 9.836448 9.416334 9.290052 42 H 8.760622 11.020376 10.584727 10.296366 9.650624 31 32 33 34 35 31 H 0.000000 32 H 1.759300 0.000000 33 N 6.702166 5.961005 0.000000 34 H 5.053980 4.113973 2.042008 0.000000 35 C 6.571257 5.791422 1.446152 2.556284 0.000000 36 C 8.049456 7.374397 1.448877 3.366674 2.472838 37 H 6.890425 6.342952 2.083844 3.398940 1.083772 38 H 7.355343 6.397576 2.103897 3.208726 1.086960 39 H 5.622787 4.792654 2.081350 2.186195 1.081522 40 H 8.448419 7.897730 2.070218 4.095091 2.583848 41 H 8.162781 7.605496 2.076568 3.629263 3.348042 42 H 8.756231 7.905433 2.104969 3.834171 2.940032 36 37 38 39 40 36 C 0.000000 37 H 2.734634 0.000000 38 H 2.787206 1.760769 0.000000 39 H 3.385461 1.754753 1.759215 0.000000 40 H 1.082744 2.410118 2.889965 3.596992 0.000000 41 H 1.078207 3.569438 3.804063 4.127895 1.762077 42 H 1.086321 3.368810 2.858150 3.869161 1.764750 41 42 41 H 0.000000 42 H 1.758806 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.485824 -2.268518 0.145634 2 6 0 3.465409 -2.137976 -1.011085 3 8 0 3.046627 -1.862604 1.362762 4 7 0 -3.259931 -0.386323 -0.196934 5 6 0 -2.225111 -1.286141 -0.054260 6 6 0 -0.863181 -0.976283 -0.068456 7 7 0 -0.148480 0.205085 -0.191654 8 6 0 1.092723 -0.146283 -0.161745 9 7 0 1.271282 -1.509121 -0.047025 10 6 0 0.010833 -2.044494 0.028437 11 7 0 -0.318804 -3.314251 0.143094 12 6 0 -1.627745 -3.485185 0.149814 13 7 0 -2.568981 -2.568175 0.052829 14 1 0 2.150270 -3.293502 0.217851 15 1 0 4.317747 -2.790186 -0.837768 16 1 0 2.993751 -2.445317 -1.937716 17 7 0 2.190332 0.671327 -0.260509 18 1 0 3.814644 -1.121047 -1.105447 19 1 0 3.804121 -2.400084 1.549872 20 6 0 2.013523 1.895723 0.042535 21 1 0 -1.970457 -4.500243 0.241810 22 6 0 -3.115840 0.802756 0.224764 23 1 0 -2.224540 1.148217 0.722950 24 7 0 -4.079963 1.735230 0.119687 25 6 0 -5.303574 1.450009 -0.599475 26 6 0 -3.798968 3.119426 0.415326 27 1 0 -6.114412 2.018639 -0.158813 28 1 0 -5.521769 0.397183 -0.530871 29 1 0 -5.218943 1.721754 -1.648992 30 1 0 -4.609563 3.550806 0.992459 31 1 0 -3.677262 3.706968 -0.492092 32 1 0 -2.890129 3.198721 0.996949 33 7 0 2.956534 2.833577 -0.106131 34 1 0 1.074187 2.254506 0.433540 35 6 0 2.803801 4.135451 0.504730 36 6 0 4.276508 2.472810 -0.582324 37 1 0 3.100575 4.910660 -0.192075 38 1 0 3.410980 4.228971 1.401429 39 1 0 1.769113 4.299228 0.773595 40 1 0 4.748022 3.350856 -1.005462 41 1 0 4.192404 1.713032 -1.342714 42 1 0 4.899117 2.092463 0.222529 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3213701 0.1990285 0.1278500 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3351712456 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000013 -0.000074 0.000044 Ang= 0.01 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1014.37963241 A.U. after 10 cycles NFock= 10 Conv=0.36D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000006691 0.000051790 0.000011814 2 6 0.000003627 -0.000015210 -0.000007792 3 8 0.000010000 -0.000013430 -0.000001799 4 7 0.000048482 0.000018267 0.000035270 5 6 -0.000080903 -0.000070082 -0.000000319 6 6 0.000002706 -0.000004955 0.000004715 7 7 -0.000076568 0.000011570 -0.000007998 8 6 0.000070199 -0.000035617 0.000013567 9 7 -0.000053190 -0.000099809 0.000021354 10 6 0.000033904 0.000092365 -0.000043939 11 7 0.000009865 -0.000128076 0.000078024 12 6 -0.000113840 0.000138302 -0.000076665 13 7 0.000157187 0.000019011 -0.000017404 14 1 0.000009008 -0.000007856 0.000004529 15 1 0.000000865 0.000001653 -0.000004054 16 1 0.000000076 -0.000003022 0.000000770 17 7 0.000041212 0.000042385 0.000008282 18 1 -0.000000964 0.000001777 -0.000000366 19 1 -0.000001398 0.000000972 0.000000003 20 6 -0.000068627 0.000027144 0.000063656 21 1 0.000000947 -0.000004463 0.000001297 22 6 -0.000058898 0.000000085 -0.000039842 23 1 0.000009155 -0.000010631 -0.000002208 24 7 0.000029682 -0.000019867 0.000092397 25 6 -0.000008567 0.000001891 -0.000017141 26 6 0.000007646 0.000005812 -0.000027274 27 1 -0.000000981 0.000004803 -0.000009159 28 1 0.000000279 -0.000013618 0.000008078 29 1 -0.000012939 -0.000007515 -0.000002724 30 1 -0.000000232 -0.000000887 -0.000002672 31 1 0.000001869 0.000007063 -0.000002146 32 1 0.000001673 0.000002098 0.000006201 33 7 0.000090552 -0.000080937 -0.000117432 34 1 0.000007462 0.000000399 -0.000024709 35 6 -0.000036128 0.000057550 0.000036656 36 6 -0.000011725 0.000032903 0.000026460 37 1 -0.000002956 -0.000013050 -0.000001232 38 1 0.000009072 0.000014831 0.000004699 39 1 -0.000005974 -0.000004373 -0.000007225 40 1 -0.000000175 -0.000005253 -0.000002379 41 1 -0.000005338 0.000001022 0.000000755 42 1 0.000000626 0.000004957 -0.000002047 ------------------------------------------------------------------- Cartesian Forces: Max 0.000157187 RMS 0.000040842 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000148776 RMS 0.000025358 Search for a local minimum. Step number 27 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 DE= -9.77D-07 DEPred=-7.87D-07 R= 1.24D+00 Trust test= 1.24D+00 RLast= 2.66D-02 DXMaxT set to 1.67D+00 ITU= 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 0 1 0 Eigenvalues --- 0.00080 0.00096 0.00170 0.00247 0.00487 Eigenvalues --- 0.00601 0.00818 0.01197 0.01239 0.01492 Eigenvalues --- 0.01637 0.02069 0.02131 0.02145 0.02310 Eigenvalues --- 0.02373 0.02567 0.02587 0.02623 0.02753 Eigenvalues --- 0.03035 0.03283 0.03377 0.03527 0.03965 Eigenvalues --- 0.05076 0.05447 0.05595 0.05698 0.06208 Eigenvalues --- 0.06625 0.07400 0.07482 0.07573 0.07601 Eigenvalues --- 0.07674 0.07809 0.07947 0.08076 0.08417 Eigenvalues --- 0.15583 0.15812 0.15857 0.15941 0.15974 Eigenvalues --- 0.15977 0.15992 0.16000 0.16004 0.16006 Eigenvalues --- 0.16013 0.16023 0.16060 0.16078 0.16165 Eigenvalues --- 0.16298 0.16728 0.17399 0.17958 0.18716 Eigenvalues --- 0.20673 0.22279 0.22485 0.22987 0.23674 Eigenvalues --- 0.23726 0.24212 0.24366 0.24514 0.24909 Eigenvalues --- 0.24997 0.25290 0.25960 0.26306 0.27569 Eigenvalues --- 0.28513 0.32712 0.32821 0.33022 0.33205 Eigenvalues --- 0.33347 0.33419 0.33542 0.33564 0.33626 Eigenvalues --- 0.33648 0.33683 0.33693 0.33758 0.33782 Eigenvalues --- 0.33890 0.33950 0.34734 0.36492 0.37510 Eigenvalues --- 0.38541 0.39032 0.39411 0.39825 0.40179 Eigenvalues --- 0.40442 0.40621 0.41079 0.41846 0.42949 Eigenvalues --- 0.45713 0.47538 0.48069 0.50601 0.51460 Eigenvalues --- 0.53113 0.54608 0.59215 0.59878 0.66027 Eigenvalues --- 0.67131 0.70793 0.74792 0.76175 0.88623 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 19 18 RFO step: Lambda=-8.81939913D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.29339 0.34766 -0.63678 -0.58109 0.60239 RFO-DIIS coefs: 0.22948 -0.45602 0.17833 0.08208 -0.05943 Iteration 1 RMS(Cart)= 0.00238433 RMS(Int)= 0.00000490 Iteration 2 RMS(Cart)= 0.00000484 RMS(Int)= 0.00000221 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000221 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87501 -0.00001 0.00004 -0.00004 -0.00000 2.87501 R2 2.64607 0.00001 0.00000 0.00005 0.00005 2.64612 R3 2.73123 0.00000 -0.00006 0.00003 -0.00003 2.73120 R4 2.04266 0.00000 0.00001 -0.00002 -0.00000 2.04265 R5 2.05442 -0.00000 0.00000 -0.00001 -0.00001 2.05441 R6 2.04891 -0.00000 -0.00000 -0.00000 -0.00001 2.04890 R7 2.03969 -0.00000 -0.00001 -0.00001 -0.00002 2.03968 R8 1.79045 -0.00000 0.00003 -0.00002 0.00001 1.79046 R9 2.60541 -0.00003 -0.00010 0.00003 -0.00007 2.60534 R10 2.39965 0.00004 0.00012 0.00004 0.00016 2.39982 R11 2.63958 -0.00004 0.00024 -0.00013 0.00011 2.63969 R12 2.51648 0.00010 -0.00012 0.00021 0.00009 2.51657 R13 2.61958 -0.00002 0.00006 -0.00002 0.00004 2.61962 R14 2.61463 -0.00001 -0.00018 0.00010 -0.00008 2.61455 R15 2.43836 0.00002 0.00012 0.00001 0.00013 2.43849 R16 2.60643 -0.00003 -0.00028 0.00005 -0.00024 2.60620 R17 2.59312 -0.00008 0.00008 -0.00008 0.00000 2.59312 R18 2.59179 0.00007 0.00026 -0.00000 0.00025 2.59204 R19 2.48848 -0.00004 0.00003 -0.00010 -0.00007 2.48841 R20 2.49457 0.00013 0.00004 0.00012 0.00017 2.49474 R21 2.49003 -0.00008 0.00006 -0.00020 -0.00014 2.48988 R22 2.03201 -0.00000 0.00000 -0.00001 -0.00001 2.03200 R23 2.40689 0.00001 -0.00005 0.00007 0.00002 2.40692 R24 2.52895 -0.00005 0.00002 -0.00012 -0.00009 2.52885 R25 2.03877 0.00001 0.00001 0.00001 0.00002 2.03879 R26 2.03701 0.00001 -0.00008 0.00004 -0.00004 2.03697 R27 2.54242 -0.00003 -0.00008 -0.00009 -0.00016 2.54226 R28 2.73571 -0.00001 0.00003 -0.00004 -0.00001 2.73570 R29 2.72695 -0.00002 -0.00003 -0.00000 -0.00003 2.72691 R30 2.04840 0.00001 0.00007 -0.00003 0.00004 2.04844 R31 2.03596 -0.00001 -0.00002 -0.00002 -0.00004 2.03592 R32 2.05494 -0.00000 -0.00002 0.00001 -0.00001 2.05493 R33 2.04949 0.00000 0.00007 -0.00001 0.00006 2.04955 R34 2.05574 -0.00000 -0.00004 -0.00001 -0.00005 2.05570 R35 2.04454 -0.00000 -0.00002 -0.00001 -0.00003 2.04451 R36 2.73283 -0.00000 -0.00015 0.00008 -0.00006 2.73277 R37 2.73798 -0.00001 0.00004 -0.00004 -0.00000 2.73798 R38 2.04803 0.00000 0.00003 -0.00002 0.00001 2.04804 R39 2.05406 -0.00001 0.00002 -0.00004 -0.00002 2.05404 R40 2.04378 0.00000 0.00002 -0.00001 0.00001 2.04379 R41 2.04609 0.00000 0.00000 -0.00002 -0.00002 2.04607 R42 2.03752 -0.00000 0.00004 0.00000 0.00004 2.03755 R43 2.05285 -0.00000 -0.00002 -0.00001 -0.00002 2.05283 A1 1.95857 -0.00002 -0.00009 -0.00002 -0.00011 1.95846 A2 1.97647 0.00002 0.00022 -0.00003 0.00019 1.97666 A3 1.90926 -0.00000 -0.00009 0.00002 -0.00007 1.90919 A4 1.87561 0.00000 -0.00000 0.00002 0.00002 1.87563 A5 1.91893 0.00000 -0.00005 -0.00001 -0.00006 1.91887 A6 1.81963 0.00000 0.00001 0.00003 0.00003 1.81966 A7 1.90935 -0.00001 -0.00014 0.00003 -0.00010 1.90924 A8 1.92343 0.00000 0.00006 -0.00000 0.00006 1.92349 A9 1.93440 -0.00000 0.00004 -0.00002 0.00002 1.93442 A10 1.88310 0.00000 -0.00003 0.00002 -0.00002 1.88308 A11 1.90233 0.00000 0.00008 -0.00003 0.00005 1.90238 A12 1.91039 -0.00000 -0.00002 0.00000 -0.00001 1.91038 A13 1.90436 -0.00000 0.00003 -0.00001 0.00002 1.90438 A14 2.08473 -0.00010 0.00017 -0.00017 0.00000 2.08473 A15 2.19690 -0.00007 0.00038 -0.00013 0.00025 2.19715 A16 2.02955 0.00006 -0.00026 0.00013 -0.00013 2.02942 A17 2.05574 0.00001 -0.00011 -0.00001 -0.00012 2.05562 A18 2.33596 -0.00004 0.00004 -0.00006 -0.00002 2.33594 A19 2.03079 0.00001 -0.00006 0.00004 -0.00003 2.03076 A20 1.91611 0.00003 0.00002 0.00002 0.00004 1.91616 A21 1.83570 -0.00002 -0.00003 -0.00003 -0.00006 1.83564 A22 1.97744 0.00003 0.00002 0.00005 0.00007 1.97751 A23 2.22120 -0.00008 -0.00027 -0.00000 -0.00028 2.22092 A24 2.08423 0.00005 0.00026 -0.00005 0.00021 2.08443 A25 2.26405 0.00003 -0.00000 0.00009 0.00009 2.26414 A26 2.16500 -0.00002 -0.00003 -0.00005 -0.00008 2.16493 A27 1.84554 -0.00002 0.00002 -0.00003 -0.00001 1.84553 A28 1.84971 -0.00002 -0.00004 -0.00000 -0.00004 1.84968 A29 2.20484 0.00001 0.00017 -0.00001 0.00016 2.20500 A30 2.22842 0.00001 -0.00013 0.00001 -0.00012 2.22830 A31 1.95359 -0.00001 -0.00005 -0.00006 -0.00011 1.95348 A32 2.23675 -0.00000 -0.00014 0.00012 -0.00002 2.23673 A33 2.02494 -0.00000 0.00002 -0.00006 -0.00004 2.02491 A34 2.02148 0.00001 0.00011 -0.00006 0.00006 2.02154 A35 2.08457 -0.00002 0.00020 -0.00008 0.00011 2.08468 A36 2.03154 -0.00015 -0.00004 -0.00010 -0.00013 2.03141 A37 2.15249 0.00002 -0.00002 -0.00004 -0.00006 2.15243 A38 2.12561 -0.00002 0.00001 0.00001 0.00002 2.12562 A39 2.00504 0.00000 0.00001 0.00003 0.00004 2.00508 A40 2.15006 -0.00003 0.00005 -0.00005 0.00001 2.15006 A41 2.14332 0.00005 -0.00006 0.00008 0.00002 2.14334 A42 1.98942 -0.00001 0.00002 -0.00004 -0.00003 1.98940 A43 2.10359 0.00003 0.00042 0.00003 0.00046 2.10405 A44 2.10515 0.00000 0.00029 0.00010 0.00040 2.10555 A45 2.04356 -0.00003 -0.00044 0.00015 -0.00028 2.04328 A46 1.90387 0.00001 0.00018 -0.00011 0.00008 1.90394 A47 1.90930 -0.00001 0.00014 -0.00019 -0.00004 1.90925 A48 1.94382 -0.00001 -0.00040 0.00023 -0.00018 1.94364 A49 1.91266 0.00000 0.00002 0.00002 0.00004 1.91270 A50 1.89598 -0.00000 -0.00009 0.00003 -0.00006 1.89592 A51 1.89802 0.00001 0.00015 0.00002 0.00017 1.89820 A52 1.92305 0.00000 0.00026 0.00000 0.00026 1.92331 A53 1.94869 -0.00001 -0.00039 0.00004 -0.00035 1.94834 A54 1.92198 -0.00000 0.00005 0.00001 0.00006 1.92204 A55 1.88880 0.00000 0.00003 -0.00004 -0.00001 1.88879 A56 1.88874 0.00000 0.00012 -0.00001 0.00011 1.88885 A57 1.89110 0.00000 -0.00005 -0.00001 -0.00006 1.89104 A58 2.10544 -0.00002 0.00016 0.00002 0.00020 2.10564 A59 2.09899 -0.00000 -0.00005 -0.00002 -0.00005 2.09894 A60 2.04789 0.00003 0.00004 0.00023 0.00029 2.04818 A61 1.92136 0.00001 0.00004 0.00008 0.00012 1.92148 A62 1.94650 -0.00002 0.00006 -0.00013 -0.00007 1.94642 A63 1.92024 0.00001 -0.00008 0.00012 0.00004 1.92027 A64 1.89220 -0.00000 0.00002 -0.00005 -0.00003 1.89217 A65 1.88967 -0.00000 0.00001 0.00001 0.00002 1.88968 A66 1.89262 -0.00000 -0.00005 -0.00002 -0.00007 1.89255 A67 1.89996 0.00000 0.00007 -0.00010 -0.00003 1.89993 A68 1.91366 -0.00000 0.00005 -0.00003 0.00002 1.91368 A69 1.94531 -0.00000 -0.00008 0.00009 0.00002 1.94532 A70 1.90690 0.00000 -0.00001 0.00002 0.00001 1.90690 A71 1.90063 0.00000 -0.00000 0.00002 0.00002 1.90065 A72 1.89705 0.00000 -0.00003 0.00000 -0.00003 1.89702 D1 1.08948 -0.00000 0.00029 -0.00008 0.00021 1.08969 D2 -3.12604 -0.00001 0.00020 -0.00004 0.00016 -3.12588 D3 -1.00862 -0.00000 0.00026 -0.00005 0.00020 -1.00841 D4 -3.06637 -0.00000 0.00039 -0.00009 0.00029 -3.06608 D5 -0.99871 -0.00000 0.00030 -0.00005 0.00025 -0.99846 D6 1.11872 -0.00000 0.00035 -0.00006 0.00029 1.11900 D7 -1.04517 0.00001 0.00047 -0.00007 0.00040 -1.04477 D8 1.02250 0.00001 0.00038 -0.00003 0.00036 1.02285 D9 3.13992 0.00001 0.00043 -0.00004 0.00040 3.14032 D10 -1.04404 0.00001 0.00042 -0.00007 0.00035 -1.04369 D11 3.05526 -0.00000 0.00020 -0.00003 0.00017 3.05544 D12 1.08511 -0.00001 0.00022 -0.00007 0.00015 1.08526 D13 -1.10590 0.00001 0.00034 0.00025 0.00059 -1.10531 D14 2.19687 0.00001 0.00039 0.00015 0.00054 2.19741 D15 1.06720 0.00000 0.00037 0.00023 0.00059 1.06780 D16 -1.91321 -0.00000 0.00042 0.00013 0.00055 -1.91267 D17 3.10357 0.00001 0.00032 0.00023 0.00055 3.10413 D18 0.12315 0.00000 0.00037 0.00014 0.00051 0.12366 D19 -0.54595 -0.00001 0.00350 -0.00128 0.00221 -0.54374 D20 2.64481 -0.00001 0.00319 -0.00101 0.00218 2.64699 D21 -0.03239 -0.00001 0.00014 -0.00038 -0.00024 -0.03263 D22 3.14086 0.00000 -0.00030 0.00017 -0.00012 3.14074 D23 0.02177 0.00000 -0.00016 0.00009 -0.00007 0.02170 D24 -3.08940 0.00001 -0.00007 0.00019 0.00012 -3.08928 D25 3.11354 -0.00000 0.00015 -0.00019 -0.00004 3.11350 D26 0.00236 -0.00000 0.00024 -0.00009 0.00015 0.00252 D27 3.10485 -0.00001 0.00007 -0.00009 -0.00002 3.10482 D28 0.00828 0.00000 -0.00022 0.00016 -0.00006 0.00822 D29 -3.11833 0.00000 0.00014 0.00004 0.00019 -3.11814 D30 -0.00570 -0.00000 0.00006 -0.00005 0.00001 -0.00570 D31 3.11020 0.00000 -0.00011 0.00005 -0.00006 3.11015 D32 -0.01058 -0.00000 -0.00012 -0.00001 -0.00013 -0.01072 D33 -0.00807 0.00000 -0.00004 0.00013 0.00009 -0.00798 D34 -3.12886 0.00000 -0.00005 0.00007 0.00001 -3.12885 D35 0.01787 -0.00000 -0.00005 -0.00005 -0.00010 0.01778 D36 3.13184 -0.00000 0.00012 -0.00011 0.00001 3.13184 D37 -3.02622 0.00000 0.00007 0.00005 0.00012 -3.02610 D38 -0.02322 0.00001 0.00002 0.00013 0.00015 -0.02307 D39 0.14061 0.00000 -0.00007 0.00011 0.00003 0.14065 D40 -3.13958 0.00001 -0.00012 0.00019 0.00007 -3.13951 D41 0.39114 -0.00000 0.00215 -0.00041 0.00174 0.39287 D42 -2.77958 -0.00000 0.00232 -0.00048 0.00184 -2.77774 D43 3.03077 0.00000 -0.00003 -0.00006 -0.00009 3.03068 D44 -0.13200 0.00000 -0.00001 0.00000 -0.00001 -0.13201 D45 0.01778 -0.00001 0.00001 -0.00015 -0.00014 0.01764 D46 3.13819 -0.00000 0.00003 -0.00009 -0.00006 3.13814 D47 0.00670 0.00000 -0.00002 0.00003 0.00001 0.00671 D48 -3.10962 -0.00000 -0.00004 -0.00004 -0.00008 -3.10970 D49 0.00582 0.00000 0.00005 0.00005 0.00010 0.00592 D50 -3.14068 0.00000 0.00015 -0.00016 -0.00001 -3.14069 D51 -0.01356 -0.00000 0.00008 -0.00015 -0.00007 -0.01363 D52 3.13293 -0.00000 -0.00002 0.00006 0.00003 3.13296 D53 -3.04480 -0.00002 -0.00021 0.00027 0.00006 -3.04474 D54 0.08550 0.00000 0.00022 -0.00010 0.00012 0.08562 D55 -2.91532 -0.00001 -0.00008 -0.00105 -0.00112 -2.91644 D56 -0.04504 0.00002 0.00080 0.00000 0.00079 -0.04425 D57 0.23686 -0.00003 -0.00049 -0.00070 -0.00118 0.23568 D58 3.10714 -0.00000 0.00039 0.00035 0.00073 3.10787 D59 -0.09811 -0.00000 0.00036 0.00005 0.00042 -0.09769 D60 -2.96758 -0.00002 -0.00088 -0.00117 -0.00205 -2.96963 D61 3.07248 0.00001 -0.00004 0.00056 0.00053 3.07300 D62 0.20301 -0.00001 -0.00128 -0.00066 -0.00194 0.20107 D63 2.61023 -0.00002 -0.00315 -0.00109 -0.00424 2.60599 D64 0.51828 -0.00002 -0.00337 -0.00093 -0.00430 0.51398 D65 -1.58039 -0.00002 -0.00340 -0.00098 -0.00437 -1.58476 D66 -0.79419 -0.00000 -0.00184 0.00008 -0.00176 -0.79595 D67 -2.88614 -0.00000 -0.00206 0.00024 -0.00182 -2.88796 D68 1.29838 -0.00000 -0.00209 0.00020 -0.00189 1.29648 D69 -2.39702 0.00001 0.00535 0.00033 0.00568 -2.39134 D70 1.78675 0.00001 0.00540 0.00035 0.00575 1.79250 D71 -0.31483 0.00002 0.00569 0.00033 0.00602 -0.30882 D72 1.00765 -0.00001 0.00402 -0.00083 0.00319 1.01084 D73 -1.09177 -0.00001 0.00407 -0.00081 0.00326 -1.08851 D74 3.08983 -0.00000 0.00435 -0.00083 0.00352 3.09336 D75 -2.39047 0.00000 0.00068 0.00041 0.00109 -2.38938 D76 1.79161 0.00001 0.00059 0.00050 0.00109 1.79270 D77 -0.30929 0.00002 0.00066 0.00055 0.00121 -0.30808 D78 1.01474 -0.00002 -0.00015 -0.00057 -0.00072 1.01402 D79 -1.08637 -0.00002 -0.00023 -0.00048 -0.00071 -1.08708 D80 3.09592 -0.00001 -0.00016 -0.00044 -0.00060 3.09532 D81 2.75064 -0.00001 0.00145 -0.00040 0.00105 2.75169 D82 0.66546 -0.00001 0.00140 -0.00034 0.00105 0.66651 D83 -1.43582 -0.00001 0.00145 -0.00038 0.00106 -1.43475 D84 -0.65355 0.00002 0.00230 0.00058 0.00289 -0.65066 D85 -2.73872 0.00002 0.00224 0.00064 0.00289 -2.73584 D86 1.44318 0.00002 0.00230 0.00060 0.00290 1.44608 Item Value Threshold Converged? Maximum Force 0.000149 0.000450 YES RMS Force 0.000025 0.000300 YES Maximum Displacement 0.016177 0.001800 NO RMS Displacement 0.002385 0.001200 NO Predicted change in Energy=-4.223180D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.956662 -4.939904 2.055969 2 6 0 7.183969 -5.226929 3.532644 3 8 0 6.830003 -6.113075 1.302062 4 7 0 2.997582 -0.799683 0.091378 5 6 0 4.229852 -1.387550 0.282935 6 6 0 4.468556 -2.588454 0.955304 7 7 0 3.651113 -3.520516 1.575559 8 6 0 4.454426 -4.413160 2.047783 9 7 0 5.783148 -4.134369 1.805292 10 6 0 5.793168 -2.965430 1.087728 11 7 0 6.840369 -2.309184 0.633084 12 6 0 6.493761 -1.196205 0.013433 13 7 0 5.282755 -0.711884 -0.173488 14 1 0 7.774674 -4.344085 1.676158 15 1 0 8.118727 -5.768261 3.655420 16 1 0 7.261463 -4.298392 4.087057 17 7 0 4.120435 -5.538268 2.758815 18 1 0 6.378335 -5.820779 3.936738 19 1 0 7.622500 -6.624977 1.389291 20 6 0 2.931204 -5.969522 2.610414 21 1 0 7.300374 -0.607782 -0.385795 22 6 0 1.966577 -1.532808 -0.019404 23 1 0 2.003664 -2.609921 -0.000564 24 7 0 0.732370 -1.031330 -0.206759 25 6 0 0.505635 0.398038 -0.171447 26 6 0 -0.429032 -1.882922 -0.115963 27 1 0 -0.317924 0.642753 -0.832422 28 1 0 1.395601 0.909592 -0.498537 29 1 0 0.257456 0.735062 0.832199 30 1 0 -1.122017 -1.658015 -0.919391 31 1 0 -0.950215 -1.750818 0.829705 32 1 0 -0.136990 -2.921130 -0.201762 33 7 0 2.425277 -6.988315 3.315330 34 1 0 2.249200 -5.523999 1.903049 35 6 0 1.181664 -7.611981 2.920712 36 6 0 3.253216 -7.698883 4.268668 37 1 0 0.561992 -7.790747 3.791700 38 1 0 1.352969 -8.561646 2.420462 39 1 0 0.639603 -6.963070 2.246336 40 1 0 2.613044 -8.186783 4.992854 41 1 0 3.899469 -7.001955 4.777802 42 1 0 3.867365 -8.449714 3.779649 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521388 0.000000 3 O 1.400267 2.426116 0.000000 4 N 6.056019 6.997761 6.662233 0.000000 5 C 4.816468 5.833373 5.489080 1.378685 0.000000 6 C 3.596033 4.580142 4.256716 2.471808 1.396864 7 N 3.629341 4.384416 4.111145 3.167464 2.560344 8 C 2.557091 3.212076 3.014826 4.359717 3.509906 9 N 1.445290 2.477848 2.294433 4.670869 3.503614 10 C 2.487922 3.609199 3.320939 3.674027 2.362489 11 N 2.993128 4.127801 3.862283 4.164019 2.790486 12 C 4.289698 5.395179 5.094039 3.519457 2.287909 13 N 5.064445 6.142936 5.808967 2.302146 1.331710 14 H 1.080925 2.138898 2.040019 6.155886 4.821611 15 H 2.143552 1.087146 2.705180 7.975920 6.759263 16 H 2.151688 1.084233 3.351929 6.810808 5.668775 17 N 2.982653 3.175056 3.129583 5.552496 4.834296 18 H 2.155852 1.079350 2.689044 7.171311 6.133496 19 H 1.930614 2.596307 0.947472 7.550397 6.337564 20 C 4.191878 4.414518 4.114976 5.751277 5.300765 21 H 4.984739 6.058401 5.777401 4.333421 3.237799 22 C 6.388774 7.313327 6.810142 1.269928 2.287995 23 H 5.847250 6.794692 6.104300 2.067193 2.555479 24 N 7.690169 8.556244 8.079716 2.296461 3.549517 25 C 8.664338 9.484761 9.195839 2.777303 4.155067 26 C 8.283170 9.080336 8.520480 3.599733 4.702097 27 H 9.613973 10.477851 10.064299 3.731837 5.103765 28 H 8.465666 9.349466 9.060504 2.415773 3.731023 29 H 8.864661 9.529655 9.503480 3.226848 4.537301 30 H 9.213502 10.077061 9.381739 4.327757 5.491925 31 H 8.613519 9.249550 8.932201 4.127334 5.221496 32 H 7.713151 8.535744 7.809545 3.796316 4.653613 33 N 5.129856 5.078863 4.921473 7.001469 6.619703 34 H 4.746025 5.205360 4.657462 5.114821 4.863945 35 C 6.421712 6.487727 6.063867 7.596716 7.415717 36 C 5.120891 4.701395 4.910086 8.069329 7.528135 37 H 7.213312 7.105691 6.949881 8.276440 8.171019 38 H 6.682159 6.808660 6.102804 8.269067 8.019547 39 H 6.635863 6.891843 6.319431 6.941992 6.916015 40 H 6.167215 5.637935 5.975362 8.873646 8.427750 41 H 4.583324 3.935617 4.632376 7.825864 7.199620 42 H 4.983332 4.631114 4.513927 8.537145 7.888762 6 7 8 9 10 6 C 0.000000 7 N 1.386243 0.000000 8 C 2.126796 1.290396 0.000000 9 N 2.200110 2.230508 1.379140 0.000000 10 C 1.383562 2.265944 2.193139 1.371648 0.000000 11 N 2.409837 3.539342 3.481496 2.413108 1.316811 12 C 2.631906 3.990402 4.318132 3.514048 2.185199 13 N 2.336366 3.689151 4.395409 3.984893 2.632424 14 H 3.812124 4.206203 3.341695 2.006697 2.484614 15 H 5.543063 5.416434 4.224677 3.398162 4.456134 16 H 4.531236 4.466245 3.471493 2.723742 3.595643 17 N 3.474945 2.385725 1.372219 2.375869 3.494290 18 H 4.794177 4.278332 3.041541 2.782317 4.075819 19 H 5.140936 5.044233 3.919494 3.124004 4.102399 20 C 4.066259 2.754419 2.249227 3.485626 4.419726 21 H 3.706858 5.064389 5.338784 4.420368 3.162506 22 C 2.885194 3.054922 4.331176 4.966271 4.233314 23 H 2.643830 2.455083 3.667919 4.457528 3.958675 24 N 4.211189 4.229865 5.511210 6.259996 5.570289 25 C 5.088560 5.319880 6.607992 7.232036 6.391904 26 C 5.062782 4.710684 5.910335 6.881236 6.429344 27 H 6.045416 6.235738 7.525501 8.185445 7.351966 28 H 4.877810 5.386563 6.646190 7.071049 6.072118 29 H 5.366030 5.493581 6.752510 7.429101 6.663561 30 H 5.969481 5.698811 6.891419 7.825440 7.318308 31 H 5.484569 4.986015 6.146701 7.209110 6.856754 32 H 4.760308 4.227039 5.326134 6.367750 6.068898 33 N 5.394765 4.068796 3.515045 4.658381 5.699868 34 H 3.800156 2.467094 2.473446 3.798607 4.446429 35 C 6.316828 4.964645 4.658909 5.874657 6.798252 36 C 6.210630 4.986974 4.143817 5.017424 6.243022 37 H 7.097199 5.717414 5.440623 6.676480 7.613169 38 H 6.894389 5.604313 5.193059 6.293306 7.266993 39 H 5.955242 4.622803 4.592858 5.886605 6.624404 40 H 7.147449 5.876184 5.128778 6.052451 7.254359 41 H 5.866374 4.736714 3.803004 4.539506 5.787597 42 H 6.533967 5.403866 4.431452 5.117666 6.405664 11 12 13 14 15 11 N 0.000000 12 C 1.320161 0.000000 13 N 2.372360 1.317590 0.000000 14 H 2.470172 3.783456 4.777420 0.000000 15 H 4.768011 6.066983 6.947678 2.462545 0.000000 16 H 4.008017 5.177581 5.910209 2.465342 1.755485 17 N 4.726919 5.658914 5.765707 3.993956 4.104039 18 H 4.843440 6.065668 6.647937 3.039837 1.763763 19 H 4.450802 5.713020 6.548386 2.303892 2.472963 20 C 5.708720 6.497744 6.397082 5.193658 5.295558 21 H 2.035801 1.075290 2.031428 4.293783 6.605427 22 C 4.978188 4.539799 3.419750 6.671747 8.324202 23 H 4.887296 4.707415 3.792740 6.254860 7.793287 24 N 6.296499 5.767954 4.561705 8.007107 9.587138 25 C 6.935790 6.199471 4.904366 8.873573 10.517952 26 C 7.320312 6.957973 5.830879 8.750418 10.118467 27 H 7.880534 7.106075 5.799727 9.831158 11.507342 28 H 6.425464 5.539650 4.224311 8.545349 10.346473 29 H 7.255469 6.579641 5.325288 9.111453 10.585999 30 H 8.138414 7.686579 6.517103 9.648987 11.100196 31 H 7.813043 7.509106 6.398101 9.141401 10.313594 32 H 7.053722 6.854818 5.852794 8.255048 9.546772 33 N 6.970061 7.810481 7.728558 6.188286 5.832629 34 H 5.746885 6.349547 6.055651 5.654604 6.130401 35 C 8.085409 8.822291 8.602579 7.462964 7.215396 36 C 7.425228 8.419797 8.524667 6.198336 5.270348 37 H 8.913047 9.641014 9.387152 8.269086 7.823890 38 H 8.508793 9.298992 9.153718 7.718815 7.423180 39 H 7.919011 8.515501 8.154246 7.621904 7.703920 40 H 8.451275 9.419277 9.470616 7.239422 6.160399 41 H 6.917347 7.945835 8.123654 5.630425 4.536946 42 H 7.513038 8.584621 8.803672 6.045488 5.027892 16 17 18 19 20 16 H 0.000000 17 N 3.628715 0.000000 18 H 1.766401 2.562309 0.000000 19 H 3.580683 3.914203 2.946891 0.000000 20 C 4.870759 1.273685 3.696482 4.891730 0.000000 21 H 5.799010 6.656596 6.834455 6.281825 7.537584 22 C 7.248951 5.329289 7.314463 7.739772 5.246987 23 H 6.870519 4.546439 6.704454 7.044408 4.354820 24 N 8.469923 6.370722 8.484357 9.017214 6.095660 25 C 9.264584 7.542741 9.488913 10.119703 7.359888 26 C 9.090852 6.505656 8.847110 9.464673 5.951858 27 H 10.298704 8.414335 10.457630 10.991189 8.132166 28 H 9.086204 7.720749 9.476138 9.955294 7.703626 29 H 9.218778 7.615060 9.491174 10.427099 7.433870 30 H 10.115277 7.487914 9.857275 10.318298 6.890370 31 H 9.194136 6.616475 8.940128 9.877348 6.002816 32 H 8.661866 5.808623 8.245278 8.744118 5.158957 33 N 5.587480 2.299109 4.168448 5.554526 1.338210 34 H 5.603105 2.057683 4.612345 5.508943 1.078881 35 C 7.021694 3.600399 5.589822 6.693563 2.419679 36 C 5.259503 2.774884 3.661124 5.341791 2.417476 37 H 7.560865 4.336246 6.142610 7.548600 3.213325 38 H 7.474167 4.112683 5.921634 6.642365 3.040726 39 H 7.371417 3.795904 6.090594 7.043414 2.524109 40 H 6.127630 3.778596 4.570643 6.365497 3.270091 41 H 4.369140 2.503500 2.871819 5.048275 2.588634 42 H 5.371022 3.095587 3.638811 4.810874 2.897389 21 22 23 24 25 21 H 0.000000 22 C 5.425800 0.000000 23 H 5.675570 1.077916 0.000000 24 N 6.584081 1.345306 2.037315 0.000000 25 C 6.872124 2.426033 3.364686 1.447670 0.000000 26 C 7.838527 2.422983 2.541625 1.443020 2.465656 27 H 7.733161 3.257761 4.081868 2.072951 1.083985 28 H 6.097661 2.553605 3.606201 2.071760 1.077365 29 H 7.272512 2.964719 3.864149 2.103596 1.087420 30 H 8.504374 3.219482 3.394149 2.083105 2.726908 31 H 8.417612 3.045684 3.186347 2.103096 2.781975 32 H 7.791009 2.526992 2.172495 2.080182 3.380941 33 N 8.841724 6.410414 5.508470 7.124374 8.390521 34 H 7.410962 4.439066 3.489396 5.190003 6.512609 35 C 9.870684 6.798288 5.850654 7.299856 8.612716 36 C 9.398257 7.619940 6.759087 8.416672 9.634519 37 H 10.698235 7.460508 6.580323 7.855343 9.097577 38 H 10.320400 7.465523 6.458158 7.999568 9.365463 39 H 9.575159 6.031765 5.085188 6.419643 7.749163 40 H 10.408755 8.355599 7.510457 9.042865 10.237691 41 H 8.894624 7.527339 6.761422 8.397900 9.527490 42 H 9.520103 8.117228 7.201845 8.986215 10.256466 26 27 28 29 30 26 C 0.000000 27 H 2.627678 0.000000 28 H 3.357645 1.766027 0.000000 29 H 2.867771 1.763674 1.759743 0.000000 30 H 1.084577 2.438783 3.620514 3.270753 0.000000 31 H 1.087828 2.981885 3.787461 2.763706 1.759961 32 H 1.081909 3.623773 4.136586 3.820000 1.755200 33 N 6.781289 9.108358 8.830784 8.397377 7.676473 34 H 4.950432 7.218155 6.920068 6.655044 5.854664 35 C 6.681157 9.191051 9.184456 8.653853 7.450036 36 C 8.161455 10.409469 10.014131 9.587248 9.085741 37 H 7.152227 9.658192 9.736371 9.029994 7.914585 38 H 7.363039 9.904246 9.910939 9.494815 8.058554 39 H 5.703538 8.261002 8.371658 7.836265 6.424074 40 H 8.665616 10.976571 10.694932 10.122211 9.567137 41 H 8.299961 10.377985 9.833701 9.417721 9.286065 42 H 8.761140 11.020925 10.583435 10.299467 9.648941 31 32 33 34 35 31 H 0.000000 32 H 1.759230 0.000000 33 N 6.708476 5.956269 0.000000 34 H 5.062136 4.110846 2.041999 0.000000 35 C 6.578028 5.787294 1.446118 2.556353 0.000000 36 C 8.054488 7.369203 1.448876 3.366649 2.473027 37 H 6.894993 6.336362 2.083904 3.398797 1.083777 38 H 7.363596 6.396206 2.103807 3.209088 1.086949 39 H 5.630447 4.788899 2.081350 2.186224 1.081526 40 H 8.452826 7.891376 2.070186 4.095082 2.583219 41 H 8.165865 7.598828 2.076596 3.629318 3.347742 42 H 8.762788 7.902641 2.104970 3.834044 2.941523 36 37 38 39 40 36 C 0.000000 37 H 2.734707 0.000000 38 H 2.787680 1.760745 0.000000 39 H 3.385590 1.754771 1.759164 0.000000 40 H 1.082733 2.409653 2.888860 3.596568 0.000000 41 H 1.078226 3.568381 3.804517 4.127537 1.762088 42 H 1.086309 3.370441 2.860438 3.870350 1.764745 41 42 41 H 0.000000 42 H 1.758792 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.486278 -2.268284 0.145083 2 6 0 3.466113 -2.137263 -1.011367 3 8 0 3.046972 -1.862876 1.362464 4 7 0 -3.260011 -0.387035 -0.196129 5 6 0 -2.224864 -1.286453 -0.053688 6 6 0 -0.862915 -0.976427 -0.068140 7 7 0 -0.148381 0.205048 -0.191540 8 6 0 1.092920 -0.146273 -0.162047 9 7 0 1.271672 -1.508958 -0.047316 10 6 0 0.011185 -2.044541 0.028435 11 7 0 -0.318106 -3.314344 0.143152 12 6 0 -1.627111 -3.485457 0.150270 13 7 0 -2.568424 -2.568609 0.053509 14 1 0 2.150878 -3.293349 0.216846 15 1 0 4.318248 -2.789760 -0.838159 16 1 0 2.994650 -2.444022 -1.938288 17 7 0 2.190223 0.671703 -0.261169 18 1 0 3.815559 -1.120358 -1.105106 19 1 0 3.804612 -2.400251 1.549309 20 6 0 2.013423 1.895609 0.043904 21 1 0 -1.969623 -4.500572 0.242334 22 6 0 -3.115371 0.802842 0.223379 23 1 0 -2.223396 1.149191 0.719690 24 7 0 -4.079668 1.735006 0.118251 25 6 0 -5.304804 1.448930 -0.597954 26 6 0 -3.799517 3.119448 0.413450 27 1 0 -6.115454 2.015314 -0.154016 28 1 0 -5.520879 0.395602 -0.530667 29 1 0 -5.223492 1.722902 -1.647149 30 1 0 -4.607569 3.549178 0.995423 31 1 0 -3.684008 3.707618 -0.494341 32 1 0 -2.887463 3.199991 0.989816 33 7 0 2.955911 2.833916 -0.104765 34 1 0 1.074535 2.253510 0.436819 35 6 0 2.803285 4.135384 0.506907 36 6 0 4.274987 2.474293 -0.584300 37 1 0 3.098298 4.911203 -0.189974 38 1 0 3.411939 4.228874 1.402596 39 1 0 1.768964 4.298291 0.777720 40 1 0 4.745903 3.353494 -1.005674 41 1 0 4.189436 1.716746 -1.346779 42 1 0 4.898917 2.091464 0.218332 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3213476 0.1990314 0.1278474 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3234707724 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000026 -0.000022 -0.000083 Ang= -0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963303 A.U. after 8 cycles NFock= 8 Conv=0.83D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000021215 0.000029276 0.000004582 2 6 -0.000007023 -0.000002204 -0.000009265 3 8 -0.000003410 -0.000011508 -0.000000939 4 7 0.000014269 -0.000010809 0.000040996 5 6 -0.000049261 -0.000079947 0.000020310 6 6 -0.000040433 0.000042540 -0.000009985 7 7 -0.000003191 -0.000010364 0.000014455 8 6 -0.000057761 -0.000039887 -0.000010677 9 7 0.000007358 -0.000004919 0.000004377 10 6 0.000059741 -0.000020043 -0.000001448 11 7 -0.000012144 -0.000046569 0.000027621 12 6 -0.000049458 0.000060317 -0.000022684 13 7 0.000095886 0.000032352 -0.000030116 14 1 -0.000000086 -0.000000504 0.000000603 15 1 0.000000436 -0.000002806 0.000000836 16 1 -0.000000402 0.000000307 -0.000000318 17 7 0.000057032 0.000038315 -0.000015746 18 1 -0.000005807 -0.000003092 0.000003487 19 1 -0.000006180 0.000008135 0.000000219 20 6 -0.000073071 0.000031444 0.000067863 21 1 0.000001772 -0.000003454 -0.000002467 22 6 -0.000019108 0.000019084 -0.000078181 23 1 0.000008251 -0.000009462 0.000010762 24 7 -0.000005287 -0.000004841 0.000113754 25 6 0.000003514 -0.000008261 -0.000033722 26 6 0.000018745 0.000000498 -0.000020340 27 1 -0.000001061 0.000009485 -0.000008647 28 1 0.000002037 -0.000006532 0.000007387 29 1 -0.000010717 -0.000005748 -0.000001813 30 1 -0.000000793 0.000004514 -0.000000202 31 1 0.000000610 -0.000000785 -0.000000126 32 1 0.000001900 -0.000001750 -0.000002507 33 7 0.000079800 -0.000046608 -0.000077718 34 1 0.000015230 -0.000003429 -0.000019906 35 6 -0.000035591 0.000026428 0.000008382 36 6 -0.000009331 0.000022735 0.000019136 37 1 0.000001622 -0.000003717 0.000001608 38 1 0.000002938 0.000007232 0.000004193 39 1 -0.000000158 -0.000000697 -0.000002617 40 1 0.000001730 -0.000005972 0.000001323 41 1 -0.000004112 -0.000000675 -0.000000632 42 1 0.000000301 0.000001922 -0.000001840 ------------------------------------------------------------------- Cartesian Forces: Max 0.000113754 RMS 0.000028686 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000095099 RMS 0.000017454 Search for a local minimum. Step number 28 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 DE= -6.17D-07 DEPred=-4.22D-07 R= 1.46D+00 Trust test= 1.46D+00 RLast= 1.63D-02 DXMaxT set to 1.67D+00 ITU= 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00073 0.00098 0.00166 0.00246 0.00477 Eigenvalues --- 0.00585 0.00765 0.01197 0.01208 0.01413 Eigenvalues --- 0.01521 0.02072 0.02131 0.02184 0.02303 Eigenvalues --- 0.02410 0.02568 0.02585 0.02622 0.02754 Eigenvalues --- 0.03045 0.03270 0.03409 0.03550 0.04108 Eigenvalues --- 0.05161 0.05438 0.05591 0.05704 0.06258 Eigenvalues --- 0.06630 0.07404 0.07485 0.07572 0.07608 Eigenvalues --- 0.07676 0.07809 0.07948 0.08075 0.08425 Eigenvalues --- 0.15518 0.15809 0.15865 0.15945 0.15976 Eigenvalues --- 0.15990 0.15993 0.15999 0.16002 0.16009 Eigenvalues --- 0.16021 0.16029 0.16063 0.16115 0.16178 Eigenvalues --- 0.16335 0.16724 0.17438 0.18003 0.18785 Eigenvalues --- 0.20708 0.22254 0.22540 0.23013 0.23662 Eigenvalues --- 0.24064 0.24297 0.24422 0.24552 0.24919 Eigenvalues --- 0.25037 0.25403 0.26074 0.26328 0.27582 Eigenvalues --- 0.28875 0.32819 0.32938 0.33025 0.33208 Eigenvalues --- 0.33346 0.33423 0.33541 0.33566 0.33626 Eigenvalues --- 0.33656 0.33686 0.33697 0.33761 0.33782 Eigenvalues --- 0.33886 0.34002 0.34693 0.36613 0.36898 Eigenvalues --- 0.37598 0.39285 0.39624 0.40085 0.40199 Eigenvalues --- 0.40559 0.40705 0.40984 0.41805 0.42864 Eigenvalues --- 0.45166 0.46838 0.48068 0.50766 0.51461 Eigenvalues --- 0.53245 0.54566 0.58459 0.60288 0.63146 Eigenvalues --- 0.66418 0.70831 0.74390 0.76809 0.86468 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 19 RFO step: Lambda=-7.49340009D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. RFO-DIIS uses 8 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.86583 -0.29328 -0.83173 0.03153 0.16426 RFO-DIIS coefs: 0.19029 -0.06179 -0.06511 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00197522 RMS(Int)= 0.00000473 Iteration 2 RMS(Cart)= 0.00000485 RMS(Int)= 0.00000147 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000147 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87501 -0.00001 -0.00001 0.00001 -0.00000 2.87500 R2 2.64612 0.00000 0.00010 -0.00003 0.00006 2.64619 R3 2.73120 -0.00001 -0.00009 0.00001 -0.00008 2.73112 R4 2.04265 -0.00000 -0.00000 -0.00000 -0.00001 2.04265 R5 2.05441 0.00000 -0.00002 0.00002 -0.00000 2.05441 R6 2.04890 0.00000 0.00000 -0.00000 -0.00000 2.04890 R7 2.03968 0.00001 -0.00001 0.00000 -0.00001 2.03967 R8 1.79046 -0.00001 -0.00001 0.00000 -0.00000 1.79046 R9 2.60534 -0.00002 -0.00011 0.00002 -0.00009 2.60525 R10 2.39982 0.00000 0.00019 -0.00005 0.00014 2.39995 R11 2.63969 -0.00006 0.00004 -0.00007 -0.00003 2.63966 R12 2.51657 0.00008 0.00019 -0.00000 0.00019 2.51675 R13 2.61962 -0.00001 0.00003 -0.00001 0.00003 2.61965 R14 2.61455 0.00002 -0.00006 0.00003 -0.00003 2.61453 R15 2.43849 -0.00003 0.00016 -0.00008 0.00008 2.43857 R16 2.60620 0.00002 -0.00028 0.00014 -0.00014 2.60605 R17 2.59312 -0.00007 -0.00005 -0.00002 -0.00007 2.59305 R18 2.59204 -0.00001 0.00032 -0.00013 0.00020 2.59223 R19 2.48841 -0.00002 -0.00014 0.00004 -0.00010 2.48831 R20 2.49474 0.00006 0.00028 -0.00007 0.00022 2.49496 R21 2.48988 -0.00003 -0.00018 0.00005 -0.00013 2.48975 R22 2.03200 0.00000 -0.00001 0.00001 0.00000 2.03200 R23 2.40692 0.00001 0.00005 0.00001 0.00006 2.40698 R24 2.52885 -0.00004 -0.00012 -0.00001 -0.00013 2.52872 R25 2.03879 0.00000 0.00003 -0.00003 0.00000 2.03879 R26 2.03697 0.00001 -0.00001 -0.00002 -0.00003 2.03694 R27 2.54226 -0.00002 -0.00020 0.00003 -0.00017 2.54209 R28 2.73570 -0.00001 -0.00004 -0.00001 -0.00005 2.73565 R29 2.72691 -0.00002 -0.00005 -0.00003 -0.00008 2.72683 R30 2.04844 0.00001 0.00006 0.00002 0.00008 2.04851 R31 2.03592 -0.00000 -0.00006 0.00000 -0.00006 2.03587 R32 2.05493 -0.00000 0.00001 -0.00001 -0.00000 2.05492 R33 2.04955 0.00000 0.00006 0.00000 0.00006 2.04961 R34 2.05570 -0.00000 -0.00004 0.00000 -0.00004 2.05566 R35 2.04451 0.00000 -0.00002 0.00001 -0.00002 2.04450 R36 2.73277 0.00001 -0.00004 0.00001 -0.00004 2.73273 R37 2.73798 -0.00000 -0.00002 -0.00000 -0.00002 2.73796 R38 2.04804 0.00000 0.00001 -0.00000 0.00001 2.04805 R39 2.05404 -0.00001 -0.00004 0.00002 -0.00002 2.05402 R40 2.04379 0.00000 0.00002 -0.00002 0.00000 2.04379 R41 2.04607 0.00000 -0.00002 0.00002 -0.00000 2.04607 R42 2.03755 -0.00000 0.00003 -0.00002 0.00001 2.03756 R43 2.05283 -0.00000 -0.00001 -0.00001 -0.00001 2.05281 A1 1.95846 -0.00000 -0.00011 0.00001 -0.00011 1.95836 A2 1.97666 -0.00001 0.00014 -0.00000 0.00014 1.97680 A3 1.90919 0.00001 0.00002 0.00001 0.00002 1.90922 A4 1.87563 -0.00000 -0.00004 -0.00006 -0.00010 1.87553 A5 1.91887 0.00000 -0.00001 0.00004 0.00003 1.91889 A6 1.81966 0.00000 0.00001 0.00001 0.00002 1.81968 A7 1.90924 0.00000 -0.00012 0.00003 -0.00009 1.90915 A8 1.92349 -0.00000 0.00007 -0.00001 0.00006 1.92355 A9 1.93442 0.00000 0.00003 -0.00000 0.00003 1.93445 A10 1.88308 0.00000 -0.00002 0.00001 -0.00002 1.88306 A11 1.90238 -0.00000 0.00004 -0.00000 0.00004 1.90241 A12 1.91038 -0.00000 -0.00000 -0.00002 -0.00002 1.91036 A13 1.90438 -0.00001 -0.00001 -0.00002 -0.00003 1.90435 A14 2.08473 -0.00007 -0.00012 -0.00001 -0.00014 2.08459 A15 2.19715 -0.00006 0.00024 -0.00015 0.00009 2.19724 A16 2.02942 0.00005 -0.00009 0.00007 -0.00002 2.02940 A17 2.05562 0.00002 -0.00014 0.00007 -0.00007 2.05556 A18 2.33594 -0.00003 -0.00009 0.00001 -0.00008 2.33587 A19 2.03076 0.00001 -0.00002 0.00003 0.00002 2.03078 A20 1.91616 0.00001 0.00010 -0.00004 0.00006 1.91621 A21 1.83564 -0.00001 -0.00011 0.00006 -0.00005 1.83559 A22 1.97751 0.00002 0.00011 -0.00006 0.00005 1.97756 A23 2.22092 -0.00003 -0.00036 0.00010 -0.00026 2.22067 A24 2.08443 0.00001 0.00024 -0.00004 0.00021 2.08464 A25 2.26414 0.00000 0.00011 -0.00003 0.00008 2.26422 A26 2.16493 0.00000 -0.00012 0.00002 -0.00009 2.16483 A27 1.84553 -0.00001 0.00000 0.00001 0.00001 1.84554 A28 1.84968 -0.00002 -0.00010 0.00003 -0.00007 1.84961 A29 2.20500 -0.00001 0.00021 -0.00012 0.00009 2.20509 A30 2.22830 0.00003 -0.00011 0.00008 -0.00002 2.22827 A31 1.95348 0.00001 -0.00015 0.00009 -0.00006 1.95342 A32 2.23673 0.00000 -0.00002 0.00000 -0.00002 2.23671 A33 2.02491 -0.00000 -0.00009 0.00002 -0.00007 2.02484 A34 2.02154 0.00000 0.00011 -0.00002 0.00009 2.02163 A35 2.08468 -0.00003 0.00011 -0.00008 0.00004 2.08471 A36 2.03141 -0.00010 -0.00029 0.00003 -0.00026 2.03115 A37 2.15243 0.00002 -0.00004 0.00006 0.00003 2.15246 A38 2.12562 -0.00002 -0.00004 -0.00005 -0.00009 2.12553 A39 2.00508 0.00001 0.00008 -0.00000 0.00007 2.00516 A40 2.15006 -0.00003 -0.00007 -0.00006 -0.00014 2.14992 A41 2.14334 0.00004 0.00012 0.00011 0.00022 2.14356 A42 1.98940 -0.00001 -0.00004 -0.00004 -0.00008 1.98932 A43 2.10405 0.00001 0.00056 0.00011 0.00068 2.10473 A44 2.10555 -0.00001 0.00032 0.00003 0.00035 2.10590 A45 2.04328 0.00000 -0.00038 0.00017 -0.00021 2.04307 A46 1.90394 0.00001 0.00012 0.00011 0.00024 1.90418 A47 1.90925 -0.00001 -0.00009 -0.00001 -0.00010 1.90915 A48 1.94364 -0.00001 -0.00021 -0.00007 -0.00028 1.94337 A49 1.91270 -0.00000 0.00006 -0.00002 0.00004 1.91274 A50 1.89592 -0.00000 -0.00010 -0.00002 -0.00012 1.89579 A51 1.89820 0.00001 0.00023 0.00000 0.00023 1.89842 A52 1.92331 -0.00000 0.00023 -0.00007 0.00016 1.92348 A53 1.94834 0.00000 -0.00033 0.00005 -0.00029 1.94805 A54 1.92204 -0.00000 0.00010 -0.00001 0.00008 1.92212 A55 1.88879 0.00000 -0.00004 0.00001 -0.00003 1.88876 A56 1.88885 0.00000 0.00011 -0.00002 0.00009 1.88894 A57 1.89104 0.00000 -0.00006 0.00005 -0.00002 1.89103 A58 2.10564 -0.00002 0.00008 0.00008 0.00015 2.10579 A59 2.09894 0.00000 0.00001 0.00008 0.00007 2.09901 A60 2.04818 0.00002 0.00043 -0.00013 0.00029 2.04847 A61 1.92148 0.00000 0.00016 -0.00013 0.00003 1.92151 A62 1.94642 -0.00001 -0.00018 0.00015 -0.00003 1.94640 A63 1.92027 0.00000 0.00012 -0.00012 -0.00000 1.92027 A64 1.89217 0.00000 -0.00006 0.00004 -0.00002 1.89215 A65 1.88968 0.00000 0.00006 -0.00001 0.00004 1.88973 A66 1.89255 0.00000 -0.00010 0.00007 -0.00003 1.89252 A67 1.89993 0.00001 -0.00000 0.00005 0.00005 1.89998 A68 1.91368 -0.00000 0.00002 -0.00004 -0.00002 1.91366 A69 1.94532 -0.00000 0.00002 -0.00003 -0.00001 1.94531 A70 1.90690 -0.00000 0.00002 -0.00001 0.00002 1.90692 A71 1.90065 -0.00000 -0.00002 -0.00000 -0.00002 1.90063 A72 1.89702 0.00000 -0.00004 0.00003 -0.00001 1.89700 D1 1.08969 0.00000 0.00044 -0.00016 0.00028 1.08997 D2 -3.12588 0.00000 0.00038 -0.00014 0.00024 -3.12564 D3 -1.00841 0.00000 0.00045 -0.00018 0.00028 -1.00814 D4 -3.06608 -0.00001 0.00041 -0.00024 0.00017 -3.06590 D5 -0.99846 -0.00001 0.00036 -0.00022 0.00013 -0.99833 D6 1.11900 -0.00001 0.00042 -0.00026 0.00017 1.11917 D7 -1.04477 -0.00000 0.00052 -0.00022 0.00030 -1.04446 D8 1.02285 0.00000 0.00047 -0.00020 0.00026 1.02311 D9 3.14032 -0.00000 0.00053 -0.00024 0.00030 3.14061 D10 -1.04369 -0.00001 0.00060 -0.00013 0.00047 -1.04322 D11 3.05544 0.00000 0.00052 -0.00009 0.00044 3.05587 D12 1.08526 0.00000 0.00054 -0.00009 0.00045 1.08571 D13 -1.10531 0.00001 0.00082 -0.00002 0.00081 -1.10450 D14 2.19741 0.00001 0.00084 -0.00006 0.00079 2.19820 D15 1.06780 0.00000 0.00075 -0.00005 0.00069 1.06849 D16 -1.91267 -0.00000 0.00077 -0.00010 0.00067 -1.91200 D17 3.10413 0.00000 0.00072 -0.00003 0.00069 3.10481 D18 0.12366 0.00000 0.00074 -0.00007 0.00067 0.12433 D19 -0.54374 -0.00002 0.00195 -0.00131 0.00064 -0.54310 D20 2.64699 -0.00001 0.00158 -0.00091 0.00067 2.64766 D21 -0.03263 -0.00000 -0.00010 -0.00009 -0.00019 -0.03282 D22 3.14074 -0.00001 -0.00036 -0.00014 -0.00050 3.14024 D23 0.02170 -0.00000 -0.00028 0.00022 -0.00006 0.02164 D24 -3.08928 0.00000 -0.00013 0.00021 0.00008 -3.08921 D25 3.11350 -0.00000 0.00010 -0.00019 -0.00009 3.11341 D26 0.00252 -0.00000 0.00024 -0.00020 0.00004 0.00256 D27 3.10482 -0.00000 0.00008 -0.00013 -0.00005 3.10478 D28 0.00822 0.00000 -0.00027 0.00025 -0.00002 0.00820 D29 -3.11814 -0.00000 0.00012 -0.00002 0.00010 -3.11804 D30 -0.00570 -0.00000 -0.00002 -0.00001 -0.00003 -0.00573 D31 3.11015 -0.00000 -0.00015 0.00003 -0.00011 3.11003 D32 -0.01072 0.00000 -0.00010 0.00005 -0.00004 -0.01076 D33 -0.00798 0.00000 -0.00003 0.00002 -0.00001 -0.00799 D34 -3.12885 0.00000 0.00002 0.00004 0.00006 -3.12878 D35 0.01778 0.00000 0.00008 -0.00001 0.00006 0.01784 D36 3.13184 -0.00000 -0.00015 0.00019 0.00004 3.13189 D37 -3.02610 -0.00001 -0.00007 -0.00001 -0.00008 -3.02618 D38 -0.02307 -0.00000 -0.00010 0.00003 -0.00007 -0.02314 D39 0.14065 0.00000 0.00015 -0.00020 -0.00005 0.14059 D40 -3.13951 0.00000 0.00012 -0.00016 -0.00004 -3.13955 D41 0.39287 -0.00001 0.00164 -0.00065 0.00098 0.39386 D42 -2.77774 -0.00002 0.00139 -0.00043 0.00096 -2.77678 D43 3.03068 0.00000 0.00007 0.00000 0.00007 3.03075 D44 -0.13201 0.00000 0.00002 -0.00002 -0.00000 -0.13201 D45 0.01764 0.00000 0.00007 -0.00003 0.00004 0.01768 D46 3.13814 -0.00000 0.00003 -0.00005 -0.00003 3.13811 D47 0.00671 0.00000 -0.00004 0.00005 0.00001 0.00672 D48 -3.10970 0.00000 0.00002 0.00007 0.00010 -3.10961 D49 0.00592 -0.00000 0.00002 0.00000 0.00002 0.00594 D50 -3.14069 0.00000 0.00006 -0.00002 0.00003 -3.14065 D51 -0.01363 0.00000 0.00014 -0.00015 -0.00002 -0.01365 D52 3.13296 -0.00000 0.00010 -0.00013 -0.00003 3.13293 D53 -3.04474 -0.00002 0.00001 -0.00047 -0.00046 -3.04520 D54 0.08562 0.00000 0.00025 0.00002 0.00027 0.08589 D55 -2.91644 -0.00000 -0.00109 0.00007 -0.00101 -2.91746 D56 -0.04425 0.00002 0.00107 0.00017 0.00124 -0.04301 D57 0.23568 -0.00003 -0.00131 -0.00039 -0.00170 0.23398 D58 3.10787 -0.00001 0.00084 -0.00029 0.00056 3.10843 D59 -0.09769 0.00001 0.00057 0.00046 0.00103 -0.09666 D60 -2.96963 -0.00001 -0.00160 -0.00093 -0.00253 -2.97216 D61 3.07300 0.00000 0.00034 0.00041 0.00075 3.07375 D62 0.20107 -0.00002 -0.00183 -0.00098 -0.00281 0.19826 D63 2.60599 -0.00002 -0.00641 -0.00093 -0.00734 2.59865 D64 0.51398 -0.00002 -0.00650 -0.00097 -0.00747 0.50651 D65 -1.58476 -0.00002 -0.00659 -0.00092 -0.00751 -1.59228 D66 -0.79595 0.00000 -0.00422 0.00039 -0.00383 -0.79977 D67 -2.88796 -0.00000 -0.00431 0.00035 -0.00396 -2.89192 D68 1.29648 0.00000 -0.00440 0.00040 -0.00400 1.29249 D69 -2.39134 0.00001 0.00463 0.00016 0.00479 -2.38655 D70 1.79250 0.00001 0.00474 0.00017 0.00491 1.79741 D71 -0.30882 0.00001 0.00497 0.00009 0.00506 -0.30375 D72 1.01084 -0.00001 0.00239 -0.00117 0.00122 1.01206 D73 -1.08851 -0.00001 0.00250 -0.00116 0.00134 -1.08717 D74 3.09336 -0.00001 0.00273 -0.00124 0.00149 3.09485 D75 -2.38938 0.00001 0.00029 0.00050 0.00080 -2.38858 D76 1.79270 0.00001 0.00038 0.00044 0.00082 1.79352 D77 -0.30808 0.00001 0.00054 0.00033 0.00087 -0.30721 D78 1.01402 -0.00001 -0.00174 0.00038 -0.00136 1.01266 D79 -1.08708 -0.00001 -0.00165 0.00031 -0.00134 -1.08842 D80 3.09532 -0.00001 -0.00149 0.00021 -0.00129 3.09404 D81 2.75169 -0.00000 -0.00007 0.00007 0.00001 2.75170 D82 0.66651 -0.00001 -0.00010 0.00008 -0.00002 0.66649 D83 -1.43475 -0.00000 -0.00007 0.00008 0.00001 -1.43474 D84 -0.65066 0.00001 0.00197 0.00020 0.00217 -0.64849 D85 -2.73584 0.00001 0.00194 0.00020 0.00214 -2.73370 D86 1.44608 0.00001 0.00197 0.00021 0.00217 1.44826 Item Value Threshold Converged? Maximum Force 0.000095 0.000450 YES RMS Force 0.000017 0.000300 YES Maximum Displacement 0.013924 0.001800 NO RMS Displacement 0.001975 0.001200 NO Predicted change in Energy=-3.386804D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957154 -4.939901 2.055639 2 6 0 7.184425 -5.227714 3.532165 3 8 0 6.830582 -6.112779 1.301200 4 7 0 2.997873 -0.799635 0.091703 5 6 0 4.230078 -1.387644 0.282909 6 6 0 4.468939 -2.588501 0.955269 7 7 0 3.651567 -3.520385 1.575917 8 6 0 4.454995 -4.413051 2.048016 9 7 0 5.783606 -4.134427 1.805158 10 6 0 5.793559 -2.965525 1.087335 11 7 0 6.840687 -2.309488 0.632376 12 6 0 6.493961 -1.196442 0.012668 13 7 0 5.282997 -0.712075 -0.173910 14 1 0 7.775151 -4.343864 1.676148 15 1 0 8.119355 -5.768822 3.654608 16 1 0 7.261629 -4.299508 4.087173 17 7 0 4.120821 -5.537939 2.759239 18 1 0 6.378958 -5.822045 3.935877 19 1 0 7.622950 -6.624852 1.388578 20 6 0 2.931691 -5.969284 2.610027 21 1 0 7.300555 -0.608189 -0.386849 22 6 0 1.966673 -1.532780 -0.017979 23 1 0 2.003837 -2.609866 0.001406 24 7 0 0.732295 -1.031602 -0.204366 25 6 0 0.504610 0.397630 -0.170711 26 6 0 -0.428927 -1.883567 -0.115455 27 1 0 -0.315100 0.642037 -0.836634 28 1 0 1.396325 0.909477 -0.492439 29 1 0 0.250087 0.734419 0.831422 30 1 0 -1.119780 -1.660565 -0.921287 31 1 0 -0.952803 -1.749712 0.828455 32 1 0 -0.136193 -2.921818 -0.198236 33 7 0 2.425401 -6.988159 3.314434 34 1 0 2.250380 -5.524083 1.901789 35 6 0 1.181478 -7.611160 2.919811 36 6 0 3.252243 -7.697877 4.269337 37 1 0 0.561563 -7.789364 3.790746 38 1 0 1.352298 -8.561043 2.419833 39 1 0 0.639928 -6.962110 2.245158 40 1 0 2.611252 -8.186010 4.992640 41 1 0 3.897210 -7.000346 4.779290 42 1 0 3.867692 -8.448431 3.781544 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521386 0.000000 3 O 1.400301 2.426057 0.000000 4 N 6.055968 6.997991 6.661985 0.000000 5 C 4.816435 5.833692 5.488756 1.378638 0.000000 6 C 3.595985 4.580360 4.256473 2.471806 1.396847 7 N 3.629333 4.384399 4.111217 3.167442 2.560299 8 C 2.557035 3.211878 3.015000 4.359718 3.509883 9 N 1.445248 2.477927 2.294343 4.670875 3.503643 10 C 2.487916 3.609598 3.320597 3.673993 2.362474 11 N 2.993045 4.128314 3.861665 4.164037 2.790556 12 C 4.289728 5.395809 5.093525 3.519423 2.287959 13 N 5.064406 6.143404 5.808492 2.302174 1.331809 14 H 1.080922 2.138913 2.040063 6.155844 4.821607 15 H 2.143484 1.087145 2.705138 7.976007 6.759405 16 H 2.151729 1.084233 3.351925 6.811204 5.669363 17 N 2.982865 3.174794 3.130355 5.552323 4.834160 18 H 2.155871 1.079347 2.688869 7.171750 6.133985 19 H 1.930625 2.596009 0.947471 7.550257 6.337384 20 C 4.191817 4.414296 4.115212 5.750792 5.300256 21 H 4.984717 6.059057 5.776755 4.333444 3.237894 22 C 6.388526 7.313070 6.809863 1.270001 2.287924 23 H 5.846733 6.793959 6.103878 2.067171 2.555234 24 N 7.689688 8.555642 8.079245 2.296587 3.549463 25 C 8.664941 9.485553 9.196188 2.778249 4.155970 26 C 8.283056 9.080285 8.520189 3.600109 4.702230 27 H 9.612958 10.477750 10.062736 3.730418 5.102120 28 H 8.463495 9.346906 9.058718 2.413968 3.729354 29 H 8.870251 9.535516 9.508297 3.232775 4.543604 30 H 9.211568 10.075594 9.379227 4.326940 5.490497 31 H 8.616885 9.253163 8.935375 4.129563 5.224076 32 H 7.711562 8.533727 7.808104 3.796062 4.652903 33 N 5.129981 5.078866 4.921892 7.000824 6.619121 34 H 4.745382 5.204878 4.656771 5.114251 4.863137 35 C 6.421903 6.487770 6.064439 7.595680 7.414807 36 C 5.121841 4.701827 4.911912 8.068648 7.527736 37 H 7.213433 7.105717 6.950494 8.274952 8.169757 38 H 6.682793 6.808970 6.103846 8.268467 8.019084 39 H 6.635706 6.891658 6.319542 6.940704 6.914787 40 H 6.168473 5.639008 5.977271 8.872834 8.427333 41 H 4.585517 3.937427 4.635683 7.825030 7.199352 42 H 4.983303 4.629895 4.515096 8.536721 7.888377 6 7 8 9 10 6 C 0.000000 7 N 1.386258 0.000000 8 C 2.126799 1.290436 0.000000 9 N 2.200125 2.230513 1.379064 0.000000 10 C 1.383549 2.265990 2.193169 1.371751 0.000000 11 N 2.409833 3.539354 3.481456 2.413140 1.316757 12 C 2.631927 3.990447 4.318170 3.514169 2.185206 13 N 2.336388 3.689182 4.395425 3.984949 2.632385 14 H 3.812086 4.206199 3.341632 2.006678 2.484597 15 H 5.543141 5.416415 4.224546 3.398151 4.456309 16 H 4.531609 4.466092 3.471058 2.723856 3.596355 17 N 3.474864 2.385576 1.372183 2.375914 3.494371 18 H 4.794580 4.278516 3.041531 2.782527 4.076345 19 H 5.140785 5.044273 3.919548 3.123930 4.102206 20 C 4.065839 2.754035 2.249039 3.485389 4.419440 21 H 3.706881 5.064430 5.338797 4.420451 3.162482 22 C 2.884977 3.054496 4.330825 4.966022 4.233147 23 H 2.643301 2.454210 3.667188 4.456957 3.958248 24 N 4.210843 4.229138 5.510528 6.259510 5.570005 25 C 5.089275 5.320235 6.608400 7.232662 6.392689 26 C 5.062853 4.710663 5.910295 6.881184 6.429360 27 H 6.044363 6.235432 7.525220 8.184613 7.350638 28 H 4.875722 5.384041 6.643694 7.068816 6.070173 29 H 5.371764 5.497972 6.757055 7.434625 6.669719 30 H 5.967940 5.697431 6.889924 7.823697 7.316539 31 H 5.487708 4.989410 6.150202 7.212491 6.859929 32 H 4.759088 4.225285 5.324325 6.366163 6.067665 33 N 5.394321 4.068338 3.514861 4.658244 5.699653 34 H 3.799414 2.466641 2.473075 3.797916 4.445635 35 C 6.316164 4.964053 4.658738 5.874496 6.797880 36 C 6.210404 4.986523 4.143786 5.017784 6.243283 37 H 7.096231 5.716447 5.440167 6.676141 7.612597 38 H 6.894176 5.604200 5.193344 6.293588 7.267061 39 H 5.954292 4.622048 4.592528 5.886155 6.623682 40 H 7.147271 5.875739 5.128881 6.053032 7.254788 41 H 5.866378 4.736250 3.803298 4.540643 5.788476 42 H 6.533614 5.403438 4.431066 5.117368 6.405466 11 12 13 14 15 11 N 0.000000 12 C 1.320276 0.000000 13 N 2.372388 1.317520 0.000000 14 H 2.470095 3.783501 4.777389 0.000000 15 H 4.768214 6.067313 6.947890 2.462374 0.000000 16 H 4.009114 5.178795 5.911133 2.465505 1.755474 17 N 4.726956 5.658979 5.765673 3.994124 4.104055 18 H 4.844003 6.066382 6.648554 3.039860 1.763783 19 H 4.450410 5.712738 6.548106 2.304077 2.472670 20 C 5.708368 6.497389 6.396655 5.193576 5.295583 21 H 2.035858 1.075291 2.031423 4.293771 6.605751 22 C 4.978177 4.539868 3.419922 6.671632 8.323908 23 H 4.887072 4.707347 3.792787 6.254564 7.792589 24 N 6.296475 5.768109 4.562008 8.006825 9.586532 25 C 6.936809 6.200567 4.905551 8.874313 10.518676 26 C 7.320379 6.958085 5.831114 8.750417 10.118385 27 H 7.878755 7.103847 5.797543 9.829824 11.506972 28 H 6.424019 5.538585 4.223400 8.543406 10.343926 29 H 7.262300 6.586695 5.332280 9.117516 10.591879 30 H 8.136585 7.684838 6.515654 9.647101 11.098568 31 H 7.816028 7.511719 6.400518 9.144692 10.317191 32 H 7.052781 6.854221 5.852450 8.253781 9.544837 33 N 6.969803 7.810174 7.728106 6.188384 5.832977 34 H 5.745950 6.348640 6.054809 5.653930 6.130019 35 C 8.084969 8.821709 8.601798 7.463139 7.215835 36 C 7.425575 8.420013 8.524543 6.199252 5.271426 37 H 8.912449 9.640220 9.386077 8.269150 7.824407 38 H 8.508782 9.298844 9.153371 7.719502 7.423896 39 H 7.918168 8.514496 8.153093 7.621705 7.704046 40 H 8.451837 9.419640 9.470542 7.240654 6.162170 41 H 6.918461 7.946641 8.123851 5.632479 4.539612 42 H 7.512828 8.584467 8.803404 6.045527 5.027232 16 17 18 19 20 16 H 0.000000 17 N 3.627918 0.000000 18 H 1.766385 2.562103 0.000000 19 H 3.580529 3.914715 2.946310 0.000000 20 C 4.870162 1.273717 3.696378 4.891791 0.000000 21 H 5.800365 6.656652 6.835173 6.281427 7.537214 22 C 7.248697 5.328658 7.314302 7.739578 5.245974 23 H 6.869698 4.545424 6.703718 7.044061 4.353332 24 N 8.469281 6.369627 8.483794 9.016820 6.094166 25 C 9.265527 7.542717 9.489804 10.120148 7.359404 26 C 9.090847 6.505268 8.847157 9.464387 5.951057 27 H 10.299008 8.414262 10.458089 10.989626 8.132078 28 H 9.083400 7.717867 9.473647 9.953653 7.700649 29 H 9.225077 7.618499 9.496731 10.432085 7.435998 30 H 10.114183 7.486268 9.856014 10.315762 6.888371 31 H 9.197695 6.619687 8.943974 9.880499 6.005670 32 H 8.659707 5.806283 8.243142 8.742696 5.156094 33 N 5.587044 2.299093 4.168528 5.554766 1.338142 34 H 5.602508 2.057659 4.612097 5.508137 1.078883 35 C 7.021253 3.600523 5.589912 6.694029 2.419703 36 C 5.259018 2.774915 3.661460 5.343522 2.417457 37 H 7.560280 4.336039 6.142759 7.549151 3.213144 38 H 7.474014 4.113280 5.921808 6.643297 3.041031 39 H 7.370847 3.795940 6.090545 7.043441 2.524086 40 H 6.127868 3.778777 4.571727 6.367385 3.270077 41 H 4.369539 2.503845 2.873815 5.051639 2.588632 42 H 5.368964 3.095181 3.637056 4.811827 2.897365 21 22 23 24 25 21 H 0.000000 22 C 5.425977 0.000000 23 H 5.675622 1.077902 0.000000 24 N 6.584423 1.345218 2.037174 0.000000 25 C 6.873373 2.426405 3.364868 1.447645 0.000000 26 C 7.838696 2.423109 2.541556 1.442979 2.465443 27 H 7.730691 3.256765 4.081011 2.073129 1.084026 28 H 6.097081 2.552455 3.605375 2.071644 1.077335 29 H 7.279827 2.967884 3.866368 2.103380 1.087419 30 H 8.502656 3.218461 3.392568 2.083207 2.727302 31 H 8.420093 3.047434 3.188353 2.102845 2.780911 32 H 7.790615 2.526651 2.171842 2.080198 3.380846 33 N 8.841416 6.409100 5.506661 7.122439 8.389610 34 H 7.410003 4.438074 3.487821 5.188724 6.512270 35 C 9.870092 6.796605 5.848615 7.297454 8.611051 36 C 9.398542 7.618543 6.757337 8.414475 9.633315 37 H 10.697457 7.458255 6.577723 7.852224 9.095233 38 H 10.320229 7.464373 6.456764 7.997706 9.364151 39 H 9.574118 6.029898 5.082981 6.417136 7.747291 40 H 10.409219 8.353877 7.508312 9.040183 10.236064 41 H 8.895585 7.525625 6.759389 8.395202 9.525875 42 H 9.519951 8.116433 7.200850 8.984852 10.255899 26 27 28 29 30 26 C 0.000000 27 H 2.629018 0.000000 28 H 3.357791 1.766061 0.000000 29 H 2.865569 1.763627 1.759862 0.000000 30 H 1.084608 2.440626 3.622128 3.268711 0.000000 31 H 1.087809 2.983228 3.786086 2.760047 1.759951 32 H 1.081901 3.624999 4.136905 3.818045 1.755279 33 N 6.779984 9.108326 8.827453 8.398544 7.674171 34 H 4.949880 7.218150 6.917545 6.657004 5.852735 35 C 6.679188 9.190532 9.181005 8.653180 7.447107 36 C 8.159878 10.409181 10.010269 9.588316 9.083298 37 H 7.149678 9.657624 9.732026 9.028260 7.911532 38 H 7.361326 9.903609 9.908280 9.494394 8.055485 39 H 5.701451 8.260301 8.368301 7.834997 6.421006 40 H 8.663492 10.976265 10.690651 10.122493 9.564338 41 H 8.297916 10.377291 9.829082 9.418797 9.283319 42 H 8.760421 11.020887 10.580408 10.301215 9.647105 31 32 33 34 35 31 H 0.000000 32 H 1.759198 0.000000 33 N 6.710714 5.952793 0.000000 34 H 5.065403 4.108238 2.041988 0.000000 35 C 6.579171 5.783460 1.446098 2.556327 0.000000 36 C 8.056224 7.365558 1.448864 3.366659 2.473218 37 H 6.895351 6.331812 2.083913 3.398788 1.083780 38 H 7.364795 6.393024 2.103765 3.209057 1.086938 39 H 5.631424 4.785029 2.081332 2.186180 1.081526 40 H 8.453925 7.887038 2.070209 4.095051 2.582891 41 H 8.167060 7.594636 2.076577 3.629243 3.347529 42 H 8.765315 7.900203 2.104945 3.834187 2.942678 36 37 38 39 40 36 C 0.000000 37 H 2.734443 0.000000 38 H 2.788460 1.760724 0.000000 39 H 3.385682 1.754802 1.759138 0.000000 40 H 1.082733 2.408963 2.888763 3.596207 0.000000 41 H 1.078232 3.567395 3.805179 4.127126 1.762102 42 H 1.086301 3.371194 2.862543 3.871446 1.764727 41 42 41 H 0.000000 42 H 1.758783 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.486929 -2.267962 0.144813 2 6 0 3.467192 -2.136167 -1.011184 3 8 0 3.047156 -1.862872 1.362553 4 7 0 -3.259756 -0.388053 -0.196232 5 6 0 -2.224403 -1.287141 -0.053653 6 6 0 -0.862527 -0.976878 -0.068165 7 7 0 -0.148286 0.204762 -0.191842 8 6 0 1.093123 -0.146320 -0.162383 9 7 0 1.272211 -1.508872 -0.047505 10 6 0 0.011773 -2.044803 0.028494 11 7 0 -0.317139 -3.314633 0.143388 12 6 0 -1.626219 -3.486053 0.150593 13 7 0 -2.567674 -2.569461 0.053741 14 1 0 2.151794 -3.293147 0.216038 15 1 0 4.319266 -2.788739 -0.837965 16 1 0 2.996169 -2.442422 -1.938495 17 7 0 2.190019 0.672116 -0.261723 18 1 0 3.816615 -1.119191 -1.104203 19 1 0 3.805123 -2.399856 1.549193 20 6 0 2.012634 1.895724 0.044337 21 1 0 -1.968428 -4.501255 0.242839 22 6 0 -3.114998 0.802159 0.222509 23 1 0 -2.222834 1.148690 0.718322 24 7 0 -4.078966 1.734481 0.116906 25 6 0 -5.305072 1.448827 -0.597757 26 6 0 -3.799668 3.118611 0.414165 27 1 0 -6.116331 2.010649 -0.149064 28 1 0 -5.517998 0.394582 -0.535450 29 1 0 -5.226853 1.728692 -1.645630 30 1 0 -4.606517 3.546313 0.999348 31 1 0 -3.687638 3.708556 -0.492887 32 1 0 -2.885943 3.199186 0.987858 33 7 0 2.954536 2.834612 -0.103763 34 1 0 1.073809 2.252613 0.438324 35 6 0 2.800919 4.135980 0.507828 36 6 0 4.273271 2.476426 -0.585271 37 1 0 3.095081 4.912026 -0.189166 38 1 0 3.409725 4.230059 1.403339 39 1 0 1.766532 4.297973 0.778940 40 1 0 4.743375 3.356531 -1.005660 41 1 0 4.187266 1.720095 -1.348914 42 1 0 4.898201 2.092542 0.216069 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3212842 0.1990748 0.1278574 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3376104921 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000044 -0.000003 -0.000133 Ang= -0.02 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963361 A.U. after 8 cycles NFock= 8 Conv=0.71D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000007730 -0.000010739 -0.000005720 2 6 -0.000004227 0.000009534 -0.000007586 3 8 0.000010091 -0.000004754 0.000005273 4 7 -0.000035626 -0.000035697 0.000020671 5 6 0.000015832 -0.000039771 0.000010397 6 6 -0.000068901 0.000059829 -0.000019124 7 7 0.000053809 -0.000020438 0.000009751 8 6 -0.000133349 0.000002344 -0.000009284 9 7 0.000049594 0.000078004 -0.000019996 10 6 0.000049035 -0.000092557 0.000052038 11 7 -0.000018809 0.000039008 -0.000021251 12 6 -0.000003143 -0.000031927 0.000023556 13 7 0.000023362 0.000020007 -0.000021466 14 1 -0.000000281 -0.000003040 -0.000001617 15 1 -0.000000324 -0.000005163 0.000005731 16 1 0.000000050 0.000002541 -0.000002533 17 7 0.000043155 0.000013708 -0.000007470 18 1 -0.000006328 -0.000004277 0.000001498 19 1 -0.000005234 0.000003070 -0.000003726 20 6 -0.000031532 -0.000019813 0.000006033 21 1 -0.000002200 0.000000353 -0.000002179 22 6 0.000027852 0.000042121 -0.000049494 23 1 0.000002608 -0.000008381 0.000005804 24 7 -0.000021627 0.000000416 0.000090417 25 6 0.000010975 -0.000016003 -0.000026309 26 6 0.000016412 0.000000610 -0.000017404 27 1 0.000003219 0.000005912 -0.000005890 28 1 0.000004345 0.000000519 0.000003825 29 1 -0.000006982 0.000000600 -0.000001622 30 1 -0.000002987 0.000002472 0.000001258 31 1 -0.000001452 -0.000005083 0.000000489 32 1 0.000000455 -0.000000856 -0.000006754 33 7 0.000039595 0.000000453 -0.000020785 34 1 0.000004538 0.000002947 0.000005067 35 6 -0.000027227 0.000005748 -0.000001253 36 6 0.000002409 0.000004504 0.000004772 37 1 -0.000001396 0.000003854 -0.000000988 38 1 0.000001490 0.000000991 0.000004727 39 1 0.000000855 -0.000000876 -0.000000537 40 1 0.000001375 -0.000000580 -0.000000980 41 1 0.000001622 -0.000000952 0.000002443 42 1 0.000001217 0.000001363 0.000000220 ------------------------------------------------------------------- Cartesian Forces: Max 0.000133349 RMS 0.000026077 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000064008 RMS 0.000012810 Search for a local minimum. Step number 29 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 DE= -5.85D-07 DEPred=-3.39D-07 R= 1.73D+00 Trust test= 1.73D+00 RLast= 1.85D-02 DXMaxT set to 1.67D+00 ITU= 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00059 0.00100 0.00153 0.00247 0.00503 Eigenvalues --- 0.00548 0.00690 0.01035 0.01197 0.01282 Eigenvalues --- 0.01505 0.02075 0.02130 0.02179 0.02300 Eigenvalues --- 0.02419 0.02565 0.02586 0.02616 0.02752 Eigenvalues --- 0.03051 0.03272 0.03423 0.03530 0.04317 Eigenvalues --- 0.05212 0.05455 0.05594 0.05706 0.06278 Eigenvalues --- 0.06636 0.07405 0.07485 0.07573 0.07608 Eigenvalues --- 0.07681 0.07808 0.07949 0.08079 0.08432 Eigenvalues --- 0.15542 0.15859 0.15885 0.15946 0.15979 Eigenvalues --- 0.15992 0.15995 0.15998 0.16004 0.16010 Eigenvalues --- 0.16023 0.16026 0.16071 0.16110 0.16182 Eigenvalues --- 0.16403 0.16738 0.17478 0.17993 0.18768 Eigenvalues --- 0.20782 0.22241 0.22457 0.23103 0.23672 Eigenvalues --- 0.24159 0.24374 0.24599 0.24638 0.24921 Eigenvalues --- 0.25068 0.25462 0.26139 0.26349 0.27591 Eigenvalues --- 0.29026 0.32815 0.32875 0.33103 0.33205 Eigenvalues --- 0.33349 0.33417 0.33537 0.33569 0.33628 Eigenvalues --- 0.33654 0.33686 0.33706 0.33760 0.33781 Eigenvalues --- 0.33891 0.34005 0.34643 0.35850 0.37441 Eigenvalues --- 0.38235 0.39260 0.39731 0.40122 0.40191 Eigenvalues --- 0.40666 0.40873 0.41309 0.42238 0.43291 Eigenvalues --- 0.44737 0.47758 0.48573 0.51207 0.51488 Eigenvalues --- 0.53160 0.54526 0.58857 0.60753 0.64196 Eigenvalues --- 0.67552 0.70901 0.74221 0.77518 0.84710 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-5.61829402D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 2.08819 -1.03458 0.02804 -0.53096 0.57680 RFO-DIIS coefs: -0.13017 0.00269 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00263928 RMS(Int)= 0.00000795 Iteration 2 RMS(Cart)= 0.00000858 RMS(Int)= 0.00000056 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000056 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87500 -0.00000 -0.00002 0.00001 -0.00001 2.87499 R2 2.64619 0.00000 0.00006 -0.00000 0.00006 2.64625 R3 2.73112 0.00001 -0.00005 0.00001 -0.00004 2.73109 R4 2.04265 -0.00000 -0.00001 0.00001 -0.00000 2.04264 R5 2.05441 0.00000 0.00000 -0.00000 -0.00000 2.05441 R6 2.04890 0.00000 -0.00000 0.00001 0.00000 2.04891 R7 2.03967 0.00001 0.00000 -0.00000 -0.00000 2.03967 R8 1.79046 -0.00001 -0.00001 0.00000 -0.00001 1.79045 R9 2.60525 -0.00001 -0.00005 -0.00004 -0.00009 2.60515 R10 2.39995 -0.00004 0.00014 -0.00010 0.00005 2.40000 R11 2.63966 -0.00005 -0.00007 -0.00007 -0.00013 2.63952 R12 2.51675 0.00002 0.00024 -0.00006 0.00018 2.51694 R13 2.61965 -0.00001 0.00001 -0.00000 0.00001 2.61966 R14 2.61453 0.00004 0.00002 0.00004 0.00006 2.61458 R15 2.43857 -0.00005 0.00007 -0.00007 -0.00000 2.43857 R16 2.60605 0.00005 -0.00012 0.00014 0.00003 2.60608 R17 2.59305 -0.00002 -0.00012 0.00005 -0.00007 2.59298 R18 2.59223 -0.00006 0.00017 -0.00014 0.00003 2.59227 R19 2.48831 0.00000 -0.00013 0.00005 -0.00008 2.48823 R20 2.49496 -0.00003 0.00024 -0.00010 0.00015 2.49511 R21 2.48975 -0.00000 -0.00024 0.00015 -0.00009 2.48966 R22 2.03200 -0.00000 -0.00001 0.00001 0.00000 2.03201 R23 2.40698 0.00001 0.00007 -0.00001 0.00006 2.40704 R24 2.52872 -0.00003 -0.00016 0.00001 -0.00014 2.52858 R25 2.03879 -0.00000 0.00001 -0.00001 -0.00000 2.03879 R26 2.03694 0.00001 -0.00002 0.00002 0.00001 2.03694 R27 2.54209 -0.00001 -0.00015 -0.00001 -0.00016 2.54193 R28 2.73565 -0.00001 -0.00008 -0.00001 -0.00009 2.73556 R29 2.72683 -0.00001 -0.00009 0.00000 -0.00009 2.72675 R30 2.04851 0.00000 0.00008 0.00000 0.00008 2.04859 R31 2.03587 0.00000 -0.00008 0.00003 -0.00005 2.03582 R32 2.05492 0.00000 0.00002 -0.00001 0.00001 2.05493 R33 2.04961 0.00000 0.00004 0.00001 0.00005 2.04966 R34 2.05566 0.00000 -0.00003 -0.00000 -0.00003 2.05563 R35 2.04450 0.00000 -0.00002 0.00000 -0.00001 2.04448 R36 2.73273 0.00002 -0.00001 0.00001 -0.00000 2.73273 R37 2.73796 0.00001 -0.00005 0.00004 -0.00001 2.73795 R38 2.04805 -0.00000 0.00000 0.00001 0.00001 2.04806 R39 2.05402 -0.00000 -0.00003 -0.00000 -0.00003 2.05398 R40 2.04379 -0.00000 -0.00001 0.00001 0.00000 2.04379 R41 2.04607 -0.00000 0.00000 -0.00001 -0.00001 2.04606 R42 2.03756 0.00000 -0.00001 0.00002 0.00001 2.03757 R43 2.05281 -0.00000 -0.00000 0.00000 -0.00000 2.05281 A1 1.95836 0.00000 -0.00012 0.00009 -0.00003 1.95833 A2 1.97680 -0.00003 0.00011 -0.00008 0.00003 1.97682 A3 1.90922 0.00001 0.00003 -0.00000 0.00003 1.90924 A4 1.87553 0.00001 -0.00007 0.00007 -0.00001 1.87552 A5 1.91889 -0.00001 -0.00002 0.00002 -0.00000 1.91889 A6 1.81968 0.00001 0.00009 -0.00010 -0.00001 1.81967 A7 1.90915 0.00001 -0.00004 0.00002 -0.00003 1.90912 A8 1.92355 -0.00001 0.00004 -0.00002 0.00002 1.92357 A9 1.93445 -0.00000 0.00001 0.00001 0.00001 1.93447 A10 1.88306 -0.00000 -0.00001 0.00000 -0.00001 1.88306 A11 1.90241 -0.00000 0.00002 -0.00002 0.00001 1.90242 A12 1.91036 0.00000 -0.00002 0.00002 -0.00000 1.91035 A13 1.90435 0.00000 -0.00002 0.00003 0.00001 1.90436 A14 2.08459 -0.00002 -0.00015 -0.00005 -0.00019 2.08440 A15 2.19724 -0.00004 0.00006 -0.00015 -0.00009 2.19715 A16 2.02940 0.00002 0.00000 0.00009 0.00009 2.02949 A17 2.05556 0.00001 -0.00005 0.00005 0.00000 2.05556 A18 2.33587 0.00000 -0.00007 -0.00000 -0.00008 2.33579 A19 2.03078 0.00000 0.00003 0.00000 0.00004 2.03082 A20 1.91621 -0.00001 0.00004 0.00000 0.00004 1.91625 A21 1.83559 0.00000 -0.00005 0.00002 -0.00003 1.83556 A22 1.97756 0.00000 0.00007 -0.00004 0.00003 1.97759 A23 2.22067 0.00004 -0.00025 0.00016 -0.00009 2.22058 A24 2.08464 -0.00004 0.00016 -0.00010 0.00006 2.08470 A25 2.26422 -0.00002 0.00009 -0.00005 0.00004 2.26427 A26 2.16483 0.00002 -0.00007 0.00002 -0.00005 2.16478 A27 1.84554 0.00000 -0.00002 0.00003 0.00001 1.84555 A28 1.84961 -0.00000 -0.00005 0.00000 -0.00004 1.84956 A29 2.20509 -0.00002 0.00005 -0.00004 0.00001 2.20511 A30 2.22827 0.00002 -0.00001 0.00004 0.00003 2.22831 A31 1.95342 0.00001 -0.00006 0.00003 -0.00003 1.95339 A32 2.23671 0.00001 0.00004 -0.00001 0.00003 2.23674 A33 2.02484 -0.00000 -0.00008 0.00001 -0.00007 2.02476 A34 2.02163 -0.00001 0.00004 0.00000 0.00004 2.02167 A35 2.08471 -0.00002 -0.00001 -0.00004 -0.00005 2.08466 A36 2.03115 0.00000 -0.00036 0.00020 -0.00016 2.03098 A37 2.15246 -0.00001 0.00006 -0.00008 -0.00002 2.15244 A38 2.12553 -0.00000 -0.00012 0.00007 -0.00006 2.12547 A39 2.00516 0.00001 0.00006 0.00001 0.00007 2.00523 A40 2.14992 -0.00001 -0.00016 0.00002 -0.00015 2.14978 A41 2.14356 0.00001 0.00031 -0.00006 0.00025 2.14382 A42 1.98932 -0.00000 -0.00014 0.00003 -0.00010 1.98921 A43 2.10473 -0.00001 0.00071 -0.00005 0.00065 2.10538 A44 2.10590 -0.00000 0.00029 0.00008 0.00037 2.10626 A45 2.04307 0.00002 -0.00025 0.00014 -0.00011 2.04296 A46 1.90418 0.00001 0.00022 0.00003 0.00025 1.90443 A47 1.90915 -0.00000 -0.00022 0.00008 -0.00014 1.90901 A48 1.94337 0.00000 -0.00017 -0.00004 -0.00021 1.94316 A49 1.91274 -0.00000 0.00005 -0.00003 0.00002 1.91276 A50 1.89579 -0.00000 -0.00013 -0.00001 -0.00015 1.89565 A51 1.89842 0.00000 0.00025 -0.00002 0.00023 1.89865 A52 1.92348 -0.00000 0.00009 0.00004 0.00013 1.92360 A53 1.94805 0.00001 -0.00021 0.00002 -0.00020 1.94785 A54 1.92212 -0.00000 0.00008 0.00001 0.00008 1.92220 A55 1.88876 -0.00000 -0.00004 -0.00002 -0.00006 1.88871 A56 1.88894 -0.00000 0.00009 -0.00004 0.00005 1.88899 A57 1.89103 -0.00000 0.00000 -0.00001 -0.00000 1.89102 A58 2.10579 -0.00001 0.00015 -0.00002 0.00013 2.10591 A59 2.09901 -0.00000 0.00014 -0.00004 0.00010 2.09911 A60 2.04847 0.00001 0.00029 -0.00004 0.00024 2.04871 A61 1.92151 0.00000 0.00004 0.00005 0.00009 1.92160 A62 1.94640 -0.00000 -0.00006 -0.00008 -0.00014 1.94626 A63 1.92027 0.00000 0.00003 0.00002 0.00005 1.92032 A64 1.89215 0.00000 -0.00004 0.00002 -0.00001 1.89213 A65 1.88973 -0.00000 0.00005 -0.00001 0.00004 1.88977 A66 1.89252 0.00000 -0.00003 0.00001 -0.00002 1.89250 A67 1.89998 0.00000 0.00003 -0.00001 0.00002 1.90000 A68 1.91366 0.00000 -0.00006 0.00008 0.00002 1.91368 A69 1.94531 -0.00000 0.00002 -0.00002 -0.00000 1.94531 A70 1.90692 -0.00000 0.00003 -0.00003 0.00001 1.90692 A71 1.90063 -0.00000 -0.00003 -0.00000 -0.00003 1.90060 A72 1.89700 -0.00000 0.00001 -0.00003 -0.00002 1.89699 D1 1.08997 -0.00000 0.00003 0.00010 0.00013 1.09010 D2 -3.12564 0.00000 0.00001 0.00010 0.00011 -3.12553 D3 -1.00814 -0.00000 0.00002 0.00011 0.00013 -1.00801 D4 -3.06590 -0.00000 -0.00008 0.00019 0.00011 -3.06579 D5 -0.99833 0.00000 -0.00009 0.00019 0.00010 -0.99823 D6 1.11917 -0.00000 -0.00009 0.00020 0.00012 1.11929 D7 -1.04446 -0.00000 0.00011 0.00002 0.00013 -1.04433 D8 1.02311 -0.00000 0.00010 0.00002 0.00012 1.02323 D9 3.14061 -0.00000 0.00011 0.00003 0.00013 3.14075 D10 -1.04322 -0.00001 0.00060 -0.00014 0.00046 -1.04276 D11 3.05587 0.00001 0.00059 -0.00014 0.00045 3.05632 D12 1.08571 -0.00000 0.00054 -0.00007 0.00047 1.08618 D13 -1.10450 0.00000 0.00091 -0.00052 0.00040 -1.10411 D14 2.19820 0.00000 0.00092 -0.00054 0.00038 2.19857 D15 1.06849 -0.00000 0.00078 -0.00041 0.00037 1.06886 D16 -1.91200 -0.00000 0.00078 -0.00043 0.00035 -1.91165 D17 3.10481 0.00000 0.00077 -0.00041 0.00036 3.10517 D18 0.12433 0.00000 0.00077 -0.00043 0.00034 0.12466 D19 -0.54310 -0.00002 -0.00018 -0.00051 -0.00069 -0.54379 D20 2.64766 -0.00002 -0.00040 -0.00034 -0.00074 2.64692 D21 -0.03282 -0.00000 -0.00022 -0.00013 -0.00035 -0.03318 D22 3.14024 -0.00001 -0.00056 0.00013 -0.00043 3.13981 D23 0.02164 -0.00000 -0.00029 0.00022 -0.00007 0.02157 D24 -3.08921 -0.00000 -0.00009 0.00007 -0.00002 -3.08922 D25 3.11341 -0.00000 -0.00007 0.00006 -0.00002 3.11339 D26 0.00256 -0.00000 0.00013 -0.00010 0.00003 0.00259 D27 3.10478 -0.00000 0.00006 -0.00008 -0.00002 3.10476 D28 0.00820 0.00000 -0.00014 0.00008 -0.00006 0.00814 D29 -3.11804 -0.00000 0.00002 0.00008 0.00009 -3.11795 D30 -0.00573 -0.00000 -0.00018 0.00022 0.00005 -0.00568 D31 3.11003 0.00000 -0.00013 0.00010 -0.00003 3.11000 D32 -0.01076 0.00000 -0.00004 0.00003 -0.00001 -0.01077 D33 -0.00799 0.00000 0.00003 -0.00002 0.00001 -0.00798 D34 -3.12878 0.00000 0.00012 -0.00009 0.00003 -3.12875 D35 0.01784 0.00000 0.00027 -0.00035 -0.00009 0.01775 D36 3.13189 -0.00001 -0.00026 0.00026 -0.00001 3.13188 D37 -3.02618 -0.00000 -0.00024 0.00033 0.00008 -3.02610 D38 -0.02314 -0.00000 -0.00025 0.00035 0.00009 -0.02305 D39 0.14059 0.00000 0.00025 -0.00024 0.00001 0.14061 D40 -3.13955 0.00000 0.00024 -0.00022 0.00002 -3.13953 D41 0.39386 -0.00001 0.00100 -0.00082 0.00018 0.39404 D42 -2.77678 -0.00002 0.00044 -0.00018 0.00027 -2.77652 D43 3.03075 -0.00000 0.00013 -0.00017 -0.00004 3.03071 D44 -0.13201 -0.00000 0.00003 -0.00009 -0.00006 -0.13207 D45 0.01768 0.00000 0.00012 -0.00018 -0.00006 0.01763 D46 3.13811 0.00000 0.00003 -0.00011 -0.00008 3.13803 D47 0.00672 0.00000 -0.00006 0.00007 0.00001 0.00673 D48 -3.10961 0.00000 0.00006 -0.00002 0.00004 -3.10957 D49 0.00594 -0.00000 0.00006 -0.00010 -0.00004 0.00589 D50 -3.14065 0.00000 0.00010 -0.00011 -0.00000 -3.14065 D51 -0.01365 0.00000 0.00004 0.00003 0.00007 -0.01358 D52 3.13293 -0.00000 -0.00001 0.00004 0.00003 3.13296 D53 -3.04520 0.00001 -0.00050 0.00063 0.00013 -3.04506 D54 0.08589 -0.00001 0.00031 -0.00035 -0.00004 0.08585 D55 -2.91746 -0.00002 -0.00119 -0.00033 -0.00153 -2.91898 D56 -0.04301 -0.00001 0.00134 -0.00078 0.00057 -0.04245 D57 0.23398 -0.00000 -0.00195 0.00059 -0.00136 0.23262 D58 3.10843 0.00000 0.00059 0.00014 0.00073 3.10916 D59 -0.09666 0.00001 0.00099 0.00005 0.00104 -0.09563 D60 -2.97216 -0.00001 -0.00229 -0.00072 -0.00301 -2.97516 D61 3.07375 0.00000 0.00068 0.00029 0.00097 3.07472 D62 0.19826 -0.00002 -0.00259 -0.00048 -0.00307 0.19519 D63 2.59865 -0.00002 -0.00830 -0.00051 -0.00881 2.58984 D64 0.50651 -0.00001 -0.00836 -0.00054 -0.00890 0.49760 D65 -1.59228 -0.00001 -0.00843 -0.00054 -0.00896 -1.60124 D66 -0.79977 0.00000 -0.00506 0.00022 -0.00485 -0.80462 D67 -2.89192 0.00000 -0.00513 0.00019 -0.00494 -2.89685 D68 1.29249 0.00000 -0.00519 0.00020 -0.00500 1.28749 D69 -2.38655 0.00000 0.00388 -0.00000 0.00388 -2.38267 D70 1.79741 0.00000 0.00401 -0.00002 0.00399 1.80141 D71 -0.30375 0.00000 0.00410 -0.00002 0.00407 -0.29968 D72 1.01206 -0.00001 0.00058 -0.00071 -0.00013 1.01193 D73 -1.08717 -0.00001 0.00071 -0.00073 -0.00002 -1.08719 D74 3.09485 -0.00001 0.00079 -0.00073 0.00006 3.09491 D75 -2.38858 0.00001 0.00108 0.00037 0.00145 -2.38713 D76 1.79352 0.00001 0.00114 0.00036 0.00150 1.79502 D77 -0.30721 0.00001 0.00119 0.00039 0.00158 -0.30563 D78 1.01266 -0.00000 -0.00136 0.00080 -0.00057 1.01210 D79 -1.08842 -0.00000 -0.00131 0.00079 -0.00052 -1.08894 D80 3.09404 -0.00000 -0.00125 0.00082 -0.00043 3.09360 D81 2.75170 -0.00000 -0.00098 0.00021 -0.00078 2.75092 D82 0.66649 -0.00000 -0.00100 0.00019 -0.00081 0.66568 D83 -1.43474 -0.00000 -0.00099 0.00018 -0.00080 -1.43555 D84 -0.64849 0.00000 0.00145 -0.00022 0.00123 -0.64726 D85 -2.73370 0.00000 0.00143 -0.00023 0.00120 -2.73250 D86 1.44826 0.00000 0.00145 -0.00024 0.00121 1.44946 Item Value Threshold Converged? Maximum Force 0.000064 0.000450 YES RMS Force 0.000013 0.000300 YES Maximum Displacement 0.019268 0.001800 NO RMS Displacement 0.002639 0.001200 NO Predicted change in Energy=-2.699551D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957568 -4.940169 2.054725 2 6 0 7.185093 -5.228773 3.531051 3 8 0 6.830772 -6.112693 1.299713 4 7 0 2.998069 -0.799251 0.093140 5 6 0 4.230308 -1.387272 0.283732 6 6 0 4.469297 -2.588243 0.955696 7 7 0 3.651981 -3.520129 1.576431 8 6 0 4.455463 -4.412950 2.048141 9 7 0 5.784045 -4.134505 1.804849 10 6 0 5.793948 -2.965448 1.087243 11 7 0 6.840970 -2.309455 0.632102 12 6 0 6.494119 -1.196167 0.012736 13 7 0 5.283194 -0.711646 -0.173364 14 1 0 7.775527 -4.343997 1.675367 15 1 0 8.120074 -5.769900 3.653017 16 1 0 7.262359 -4.300875 4.086569 17 7 0 4.121289 -5.537859 2.759260 18 1 0 6.379729 -5.823365 3.934582 19 1 0 7.622953 -6.625058 1.387010 20 6 0 2.932037 -5.968949 2.610000 21 1 0 7.300687 -0.607953 -0.386896 22 6 0 1.967059 -1.532624 -0.017068 23 1 0 2.004741 -2.609717 0.001111 24 7 0 0.732402 -1.031989 -0.202439 25 6 0 0.503197 0.396945 -0.168494 26 6 0 -0.428306 -1.885017 -0.117869 27 1 0 -0.311381 0.641898 -0.840554 28 1 0 1.397080 0.909904 -0.482243 29 1 0 0.240235 0.731784 0.832118 30 1 0 -1.116927 -1.662054 -0.925657 31 1 0 -0.955170 -1.752166 0.824501 32 1 0 -0.134466 -2.922969 -0.200376 33 7 0 2.425555 -6.987681 3.314331 34 1 0 2.250833 -5.523432 1.901860 35 6 0 1.180563 -7.609301 2.920902 36 6 0 3.251923 -7.697230 4.269761 37 1 0 0.560868 -7.786106 3.792286 38 1 0 1.349957 -8.559752 2.421558 39 1 0 0.639491 -6.960098 2.246011 40 1 0 2.610619 -8.184617 4.993286 41 1 0 3.897203 -6.999728 4.779368 42 1 0 3.867044 -8.448396 3.782502 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521381 0.000000 3 O 1.400334 2.426052 0.000000 4 N 6.055794 6.997933 6.661689 0.000000 5 C 4.816372 5.833778 5.488555 1.378589 0.000000 6 C 3.595958 4.580437 4.256367 2.471641 1.396776 7 N 3.629350 4.384391 4.111286 3.167165 2.560198 8 C 2.557056 3.211770 3.015189 4.359455 3.509781 9 N 1.445229 2.477928 2.294346 4.670710 3.503597 10 C 2.487881 3.609726 3.320436 3.673906 2.362465 11 N 2.993009 4.128527 3.861402 4.164023 2.790581 12 C 4.289762 5.396100 5.093317 3.519428 2.287969 13 N 5.064416 6.143642 5.808292 2.302280 1.331907 14 H 1.080921 2.138926 2.040090 6.155711 4.821561 15 H 2.143457 1.087144 2.705152 7.975901 6.759422 16 H 2.151740 1.084235 3.351943 6.811242 5.669567 17 N 2.982965 3.174601 3.130816 5.551957 4.833994 18 H 2.155875 1.079346 2.688808 7.171752 6.134137 19 H 1.930656 2.595813 0.947465 7.550078 6.337323 20 C 4.191852 4.414146 4.115538 5.750193 5.299886 21 H 4.984711 6.059344 5.776473 4.333537 3.237948 22 C 6.388181 7.312902 6.809306 1.270026 2.287773 23 H 5.846267 6.793819 6.103096 2.067114 2.554877 24 N 7.689041 8.555067 8.078374 2.296689 3.549357 25 C 8.665240 9.485940 9.196152 2.779159 4.156837 26 C 8.282829 9.080703 8.519214 3.600481 4.702310 27 H 9.611437 10.477253 10.060596 3.728425 5.099852 28 H 8.460412 9.342963 9.056337 2.411522 3.727052 29 H 8.876282 9.541673 9.513185 3.239723 4.551023 30 H 9.210113 10.075081 9.376907 4.326150 5.489176 31 H 8.619062 9.256138 8.936494 4.131711 5.226353 32 H 7.710481 8.533242 7.806353 3.795933 4.652309 33 N 5.130113 5.078772 4.922421 7.000036 6.618628 34 H 4.745199 5.204614 4.656785 5.113484 4.862559 35 C 6.422485 6.487956 6.065719 7.594494 7.414125 36 C 5.122458 4.701999 4.913258 8.067882 7.527366 37 H 7.213615 7.105529 6.951613 8.272834 8.168220 38 H 6.684404 6.809935 6.106224 8.268203 8.019426 39 H 6.635872 6.891568 6.320248 6.939293 6.913819 40 H 6.169080 5.639234 5.978716 8.871594 8.426577 41 H 4.585989 3.937613 4.636880 7.824008 7.198706 42 H 4.984397 4.630189 4.517016 8.536740 7.888778 6 7 8 9 10 6 C 0.000000 7 N 1.386265 0.000000 8 C 2.126778 1.290435 0.000000 9 N 2.200125 2.230545 1.379077 0.000000 10 C 1.383578 2.266053 2.193200 1.371769 0.000000 11 N 2.409828 3.539370 3.481451 2.413138 1.316714 12 C 2.631911 3.990450 4.318181 3.514215 2.185215 13 N 2.336412 3.689202 4.395438 3.984989 2.632417 14 H 3.812054 4.206207 3.341638 2.006652 2.484541 15 H 5.543162 5.416413 4.224489 3.398127 4.456344 16 H 4.531741 4.466004 3.470795 2.723846 3.596603 17 N 3.474793 2.385491 1.372145 2.375933 3.494384 18 H 4.794740 4.278596 3.041502 2.782598 4.076539 19 H 5.140764 5.044312 3.919632 3.123943 4.102178 20 C 4.065595 2.753780 2.248921 3.485313 4.419314 21 H 3.706868 5.064433 5.338793 4.420466 3.162457 22 C 2.884752 3.054239 4.330533 4.965738 4.232914 23 H 2.643053 2.454360 3.667154 4.456635 3.957817 24 N 4.210414 4.228376 5.509736 6.258907 5.569631 25 C 5.089705 5.320063 6.608250 7.232944 6.393325 26 C 5.062962 4.710944 5.910435 6.881159 6.429313 27 H 6.042781 6.234784 7.524550 8.183301 7.348768 28 H 4.872701 5.380326 6.639979 7.065572 6.067461 29 H 5.377994 5.502070 6.761297 7.440485 6.676701 30 H 5.966843 5.696962 6.889298 7.822538 7.315107 31 H 5.490089 4.991686 6.152399 7.214821 6.862338 32 H 4.758485 4.225024 5.323844 6.365338 6.066783 33 N 5.393987 4.067964 3.514683 4.658176 5.699504 34 H 3.798966 2.466240 2.472845 3.797646 4.445283 35 C 6.315760 4.963550 4.658684 5.874676 6.797866 36 C 6.210215 4.986205 4.143742 5.018011 6.243402 37 H 7.095057 5.715203 5.439493 6.675752 7.611906 38 H 6.894777 5.604583 5.194186 6.294782 7.268128 39 H 5.953607 4.621343 4.592249 5.886003 6.623321 40 H 7.146763 5.875098 5.128625 6.053112 7.254686 41 H 5.865915 4.735667 3.802982 4.540643 5.788336 42 H 6.534136 5.403778 4.431599 5.118169 6.406254 11 12 13 14 15 11 N 0.000000 12 C 1.320353 0.000000 13 N 2.372432 1.317472 0.000000 14 H 2.470052 3.783541 4.777395 0.000000 15 H 4.768302 6.067488 6.948021 2.462318 0.000000 16 H 4.009571 5.179336 5.911572 2.465582 1.755470 17 N 4.726950 5.658976 5.765642 3.994194 4.104013 18 H 4.844242 6.066707 6.648855 3.039874 1.763785 19 H 4.450371 5.712771 6.548104 2.304271 2.472490 20 C 5.708217 6.497204 6.396427 5.193593 5.295586 21 H 2.035880 1.075292 2.031409 4.293766 6.605906 22 C 4.977941 4.539644 3.419822 6.671316 8.323678 23 H 4.886453 4.706673 3.792277 6.254026 7.792334 24 N 6.296268 5.768070 4.562146 8.006320 9.585929 25 C 6.937790 6.201774 4.906870 8.874860 10.519065 26 C 7.320177 6.957841 5.831048 8.750152 10.118631 27 H 7.876251 7.100804 5.794523 9.827873 11.506205 28 H 6.421992 5.537178 4.222169 8.540687 10.340154 29 H 7.270410 6.595411 5.340967 9.124431 10.598170 30 H 8.134733 7.682816 6.513891 9.645408 11.097785 31 H 7.818401 7.513987 6.402781 9.146947 10.320016 32 H 7.051676 6.853131 5.851642 8.252619 9.544164 33 N 6.969651 7.809954 7.727789 6.188495 5.833116 34 H 5.745545 6.348188 6.054341 5.653726 6.129868 35 C 8.084997 8.821541 8.601377 7.463720 7.216383 36 C 7.425762 8.420090 8.524423 6.199842 5.271988 37 H 8.911798 9.639282 9.384813 8.269266 7.824709 38 H 8.509970 9.299850 9.154055 7.721227 7.425244 39 H 7.917798 8.513935 8.152331 7.621852 7.704242 40 H 8.451824 9.419442 9.470070 7.241217 6.162895 41 H 6.918399 7.946451 8.123453 5.632861 4.540240 42 H 7.513711 8.585306 8.804070 6.046681 5.027859 16 17 18 19 20 16 H 0.000000 17 N 3.627424 0.000000 18 H 1.766384 2.561923 0.000000 19 H 3.580429 3.914936 2.945919 0.000000 20 C 4.869746 1.273750 3.696254 4.891920 0.000000 21 H 5.800951 6.656639 6.835486 6.281413 7.537027 22 C 7.248673 5.328283 7.314209 7.739086 5.245345 23 H 6.869755 4.545457 6.703749 7.043294 4.353231 24 N 8.468858 6.368601 8.483191 9.016012 6.092765 25 C 9.266140 7.542163 9.490054 10.120229 7.358253 26 C 9.091755 6.505378 8.847728 9.463373 5.950771 27 H 10.298985 8.414073 10.458131 10.987463 8.131997 28 H 9.078973 7.713773 9.469532 9.951444 7.696536 29 H 9.231974 7.621343 9.502034 10.437220 7.436832 30 H 10.114259 7.485945 9.855876 10.313358 6.887984 31 H 9.201348 6.621571 8.946956 9.881584 6.006633 32 H 8.659651 5.805906 8.242870 8.740870 5.155545 33 N 5.586587 2.299044 4.168434 5.555089 1.338066 34 H 5.602053 2.057656 4.611909 5.508024 1.078882 35 C 7.020876 3.600676 5.590030 6.695218 2.419726 36 C 5.258553 2.774940 3.661541 5.344690 2.417455 37 H 7.559327 4.335707 6.142617 7.550261 3.212834 38 H 7.474410 4.114142 5.922471 6.645586 3.041504 39 H 7.370312 3.795932 6.090465 7.044067 2.524010 40 H 6.127339 3.778667 4.571931 6.368748 3.269946 41 H 4.368988 2.503620 2.874096 5.052691 2.588476 42 H 5.368664 3.095625 3.636963 4.813502 2.897698 21 22 23 24 25 21 H 0.000000 22 C 5.425806 0.000000 23 H 5.674914 1.077905 0.000000 24 N 6.584542 1.345131 2.037033 0.000000 25 C 6.874837 2.426738 3.365028 1.447597 0.000000 26 C 7.838405 2.423245 2.541469 1.442932 2.465281 27 H 7.727322 3.255452 4.079929 2.073300 1.084068 28 H 6.096355 2.550923 3.604249 2.071481 1.077308 29 H 7.289093 2.971630 3.869067 2.103196 1.087425 30 H 8.500448 3.217648 3.391427 2.083278 2.727191 31 H 8.422344 3.048911 3.189740 2.102656 2.780566 32 H 7.789453 2.526473 2.171389 2.080209 3.380747 33 N 8.841206 6.408282 5.506458 7.120723 8.387980 34 H 7.409545 4.437269 3.487570 5.187174 6.510872 35 C 9.869970 6.795310 5.848101 7.295008 8.608319 36 C 9.398659 7.617752 6.757191 8.412729 9.631680 37 H 10.696570 7.456178 6.576685 7.848908 9.091393 38 H 10.321323 7.463795 6.456796 7.995871 9.362039 39 H 9.573582 6.028385 5.082253 6.414516 7.744319 40 H 10.409080 8.352654 7.507890 9.037884 10.233690 41 H 8.895436 7.524658 6.759094 8.393347 9.524252 42 H 9.520837 8.116315 7.201199 8.983809 10.255042 26 27 28 29 30 26 C 0.000000 27 H 2.630826 0.000000 28 H 3.358033 1.766084 0.000000 29 H 2.863052 1.763573 1.759989 0.000000 30 H 1.084634 2.442201 3.623785 3.265290 0.000000 31 H 1.087794 2.986371 3.785138 2.756638 1.759926 32 H 1.081893 3.626211 4.137148 3.816236 1.755326 33 N 6.779505 9.108477 8.822900 8.398043 7.673915 34 H 4.949258 7.217830 6.913801 6.656919 5.852085 35 C 6.677576 9.190034 9.176334 8.649909 7.446087 36 C 8.159486 10.409299 10.005235 9.588322 9.083092 37 H 7.147771 9.656877 9.725812 9.023294 7.910625 38 H 7.359551 9.903120 9.904981 9.491598 8.054042 39 H 5.699523 8.259624 8.363864 7.830935 6.419793 40 H 8.662790 10.976299 10.684774 10.121079 9.564116 41 H 8.297785 10.377387 9.823311 9.419685 9.283295 42 H 8.760187 11.021131 10.576698 10.302145 9.646821 31 32 33 34 35 31 H 0.000000 32 H 1.759178 0.000000 33 N 6.711123 5.952205 0.000000 34 H 5.065729 4.107488 2.041966 0.000000 35 C 6.577407 5.782161 1.446098 2.556320 0.000000 36 C 8.056875 7.365007 1.448859 3.366680 2.473395 37 H 6.893080 6.330477 2.083982 3.398439 1.083786 38 H 7.362569 6.391508 2.103655 3.209502 1.086921 39 H 5.629049 4.783537 2.081367 2.186063 1.081527 40 H 8.453996 7.886353 2.070217 4.094908 2.582794 41 H 8.168440 7.594219 2.076591 3.629055 3.347477 42 H 8.766015 7.899730 2.104938 3.834627 2.943401 36 37 38 39 40 36 C 0.000000 37 H 2.734531 0.000000 38 H 2.788777 1.760706 0.000000 39 H 3.385813 1.754833 1.759111 0.000000 40 H 1.082731 2.408877 2.888561 3.596152 0.000000 41 H 1.078236 3.567051 3.805444 4.127003 1.762107 42 H 1.086299 3.371872 2.863616 3.872071 1.764704 41 42 41 H 0.000000 42 H 1.758775 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487475 -2.267609 0.145403 2 6 0 3.468272 -2.135371 -1.010084 3 8 0 3.047044 -1.862550 1.363493 4 7 0 -3.259307 -0.388873 -0.197376 5 6 0 -2.223949 -1.287824 -0.054446 6 6 0 -0.862195 -0.977328 -0.068601 7 7 0 -0.148225 0.204489 -0.192231 8 6 0 1.093255 -0.146315 -0.162486 9 7 0 1.272664 -1.508816 -0.047348 10 6 0 0.012330 -2.045076 0.028392 11 7 0 -0.316311 -3.314929 0.143306 12 6 0 -1.625436 -3.486624 0.150155 13 7 0 -2.567043 -2.570289 0.053003 14 1 0 2.152563 -3.292887 0.216321 15 1 0 4.320359 -2.787850 -0.836584 16 1 0 2.997772 -2.441489 -1.937708 17 7 0 2.189889 0.672426 -0.261682 18 1 0 3.817581 -1.118319 -1.102695 19 1 0 3.805298 -2.399092 1.550211 20 6 0 2.011916 1.895956 0.044481 21 1 0 -1.967390 -4.501912 0.242398 22 6 0 -3.114825 0.801139 0.222102 23 1 0 -2.223057 1.147172 0.718982 24 7 0 -4.078271 1.733824 0.116052 25 6 0 -5.304562 1.449489 -0.598721 26 6 0 -3.800219 3.117180 0.417826 27 1 0 -6.117150 2.005100 -0.144627 28 1 0 -5.513688 0.394089 -0.544041 29 1 0 -5.228855 1.737743 -1.644508 30 1 0 -4.607126 3.542214 1.004918 31 1 0 -3.689443 3.710140 -0.487394 32 1 0 -2.886168 3.196844 0.991113 33 7 0 2.953326 2.835239 -0.103554 34 1 0 1.072849 2.252339 0.438349 35 6 0 2.798400 4.137174 0.506499 36 6 0 4.272043 2.477946 -0.585757 37 1 0 3.091460 4.912779 -0.191459 38 1 0 3.407431 4.232910 1.401660 39 1 0 1.763942 4.298311 0.777852 40 1 0 4.741256 3.358303 -1.006609 41 1 0 4.186185 1.721366 -1.349175 42 1 0 4.897738 2.094725 0.215300 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3212166 0.1991180 0.1278689 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3527504748 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000039 0.000012 -0.000124 Ang= -0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963403 A.U. after 9 cycles NFock= 9 Conv=0.29D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000941 -0.000030506 -0.000012308 2 6 0.000001312 0.000010198 -0.000004315 3 8 0.000003769 0.000014003 0.000014179 4 7 -0.000043768 -0.000038643 0.000009405 5 6 0.000069901 0.000007664 -0.000020105 6 6 -0.000053475 0.000043224 -0.000013099 7 7 0.000081152 -0.000011101 0.000017639 8 6 -0.000127644 0.000002758 -0.000035062 9 7 0.000050226 0.000099871 -0.000017761 10 6 0.000010108 -0.000112423 0.000063817 11 7 -0.000019348 0.000089243 -0.000047010 12 6 0.000028834 -0.000077315 0.000040311 13 7 -0.000036628 -0.000001597 0.000007926 14 1 0.000002020 -0.000006356 -0.000001002 15 1 0.000000972 -0.000006095 0.000007960 16 1 -0.000000279 0.000001626 -0.000004431 17 7 0.000027286 -0.000014902 -0.000017527 18 1 -0.000006132 -0.000002998 0.000000359 19 1 0.000001219 0.000000676 -0.000003121 20 6 -0.000011990 0.000018830 0.000026822 21 1 -0.000004973 0.000003200 -0.000003182 22 6 0.000047760 0.000035338 -0.000044629 23 1 -0.000002844 -0.000002254 0.000007630 24 7 -0.000041229 0.000003378 0.000068975 25 6 0.000006385 -0.000007252 -0.000022243 26 6 0.000011988 0.000001975 -0.000009223 27 1 0.000002036 0.000007323 -0.000002455 28 1 0.000001170 0.000004864 -0.000000019 29 1 -0.000002323 -0.000002320 -0.000001591 30 1 -0.000001338 0.000001638 -0.000000050 31 1 -0.000002377 -0.000004277 0.000000629 32 1 0.000001382 -0.000002131 -0.000007916 33 7 0.000001966 0.000012982 0.000002618 34 1 0.000005642 -0.000008174 0.000002678 35 6 -0.000002398 -0.000021404 -0.000006760 36 6 0.000004212 -0.000014333 -0.000001839 37 1 0.000001013 0.000010432 0.000000141 38 1 -0.000008349 -0.000009386 0.000001089 39 1 0.000007471 0.000001829 0.000004153 40 1 -0.000000959 -0.000001183 0.000000370 41 1 -0.000001803 0.000000938 -0.000000531 42 1 -0.000000909 0.000002661 -0.000000523 ------------------------------------------------------------------- Cartesian Forces: Max 0.000127644 RMS 0.000029163 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000072168 RMS 0.000014717 Search for a local minimum. Step number 30 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 DE= -4.16D-07 DEPred=-2.70D-07 R= 1.54D+00 Trust test= 1.54D+00 RLast= 2.00D-02 DXMaxT set to 1.67D+00 ITU= 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00052 0.00095 0.00143 0.00247 0.00458 Eigenvalues --- 0.00514 0.00652 0.00901 0.01198 0.01266 Eigenvalues --- 0.01499 0.02073 0.02111 0.02179 0.02299 Eigenvalues --- 0.02420 0.02554 0.02585 0.02616 0.02752 Eigenvalues --- 0.03066 0.03269 0.03431 0.03611 0.04401 Eigenvalues --- 0.05265 0.05456 0.05601 0.05703 0.06305 Eigenvalues --- 0.06636 0.07406 0.07486 0.07573 0.07603 Eigenvalues --- 0.07684 0.07808 0.07951 0.08114 0.08434 Eigenvalues --- 0.15597 0.15862 0.15889 0.15953 0.15983 Eigenvalues --- 0.15984 0.15993 0.15998 0.16005 0.16012 Eigenvalues --- 0.16019 0.16026 0.16073 0.16097 0.16190 Eigenvalues --- 0.16373 0.16739 0.17507 0.18044 0.18808 Eigenvalues --- 0.20771 0.22156 0.22352 0.23119 0.23674 Eigenvalues --- 0.24068 0.24218 0.24430 0.24799 0.24937 Eigenvalues --- 0.25012 0.25493 0.26302 0.26364 0.27582 Eigenvalues --- 0.28809 0.32528 0.32826 0.33065 0.33205 Eigenvalues --- 0.33350 0.33420 0.33538 0.33565 0.33630 Eigenvalues --- 0.33647 0.33683 0.33698 0.33761 0.33786 Eigenvalues --- 0.33898 0.33996 0.34733 0.35839 0.37475 Eigenvalues --- 0.38550 0.39201 0.39727 0.39855 0.40220 Eigenvalues --- 0.40572 0.40696 0.41124 0.42033 0.43165 Eigenvalues --- 0.45843 0.47925 0.49242 0.50910 0.51655 Eigenvalues --- 0.52898 0.54735 0.59640 0.60090 0.65938 Eigenvalues --- 0.70245 0.70827 0.74691 0.76571 0.87744 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 26 25 24 23 22 21 RFO step: Lambda=-3.78106163D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. RFO-DIIS uses 8 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.36538 0.30931 -1.09063 0.53573 -0.32071 RFO-DIIS coefs: 0.13816 0.18380 -0.12103 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00238353 RMS(Int)= 0.00000401 Iteration 2 RMS(Cart)= 0.00000488 RMS(Int)= 0.00000075 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000075 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87499 -0.00000 -0.00001 -0.00000 -0.00001 2.87498 R2 2.64625 -0.00002 0.00005 -0.00005 0.00000 2.64625 R3 2.73109 0.00001 -0.00005 0.00007 0.00002 2.73111 R4 2.04264 -0.00000 -0.00001 0.00001 -0.00000 2.04264 R5 2.05441 0.00000 0.00000 0.00001 0.00001 2.05442 R6 2.04891 -0.00000 0.00001 -0.00001 -0.00000 2.04891 R7 2.03967 0.00001 0.00000 0.00000 0.00000 2.03967 R8 1.79045 0.00000 -0.00001 0.00001 0.00000 1.79045 R9 2.60515 0.00002 -0.00006 0.00003 -0.00003 2.60513 R10 2.40000 -0.00004 0.00006 -0.00005 0.00000 2.40000 R11 2.63952 -0.00001 -0.00015 0.00005 -0.00010 2.63942 R12 2.51694 -0.00004 0.00020 -0.00012 0.00008 2.51702 R13 2.61966 -0.00000 0.00000 -0.00001 -0.00001 2.61965 R14 2.61458 0.00003 0.00006 -0.00000 0.00006 2.61464 R15 2.43857 -0.00004 -0.00001 -0.00004 -0.00005 2.43852 R16 2.60608 0.00005 0.00003 0.00007 0.00010 2.60618 R17 2.59298 0.00002 -0.00010 0.00005 -0.00005 2.59293 R18 2.59227 -0.00007 0.00002 -0.00009 -0.00007 2.59220 R19 2.48823 0.00002 -0.00008 0.00007 -0.00001 2.48822 R20 2.49511 -0.00007 0.00014 -0.00012 0.00002 2.49513 R21 2.48966 0.00001 -0.00008 0.00002 -0.00006 2.48960 R22 2.03201 -0.00000 0.00000 -0.00000 0.00000 2.03201 R23 2.40704 0.00000 0.00007 -0.00003 0.00004 2.40708 R24 2.52858 0.00001 -0.00013 0.00006 -0.00007 2.52851 R25 2.03879 -0.00001 -0.00001 0.00000 -0.00001 2.03878 R26 2.03694 0.00000 0.00001 0.00001 0.00002 2.03696 R27 2.54193 0.00002 -0.00012 0.00004 -0.00008 2.54185 R28 2.73556 0.00000 -0.00005 -0.00000 -0.00006 2.73551 R29 2.72675 -0.00001 -0.00006 -0.00001 -0.00008 2.72667 R30 2.04859 0.00000 0.00005 0.00000 0.00005 2.04864 R31 2.03582 0.00000 -0.00003 0.00000 -0.00003 2.03579 R32 2.05493 -0.00000 -0.00000 -0.00000 -0.00000 2.05493 R33 2.04966 0.00000 0.00003 0.00000 0.00003 2.04969 R34 2.05563 0.00000 -0.00002 0.00000 -0.00001 2.05562 R35 2.04448 0.00000 -0.00000 -0.00000 -0.00000 2.04448 R36 2.73273 0.00001 0.00002 0.00000 0.00002 2.73275 R37 2.73795 0.00000 -0.00002 0.00002 -0.00000 2.73794 R38 2.04806 -0.00000 0.00001 -0.00000 0.00001 2.04807 R39 2.05398 0.00001 -0.00003 0.00001 -0.00002 2.05397 R40 2.04379 -0.00001 -0.00001 -0.00000 -0.00001 2.04378 R41 2.04606 0.00000 0.00001 -0.00000 0.00000 2.04607 R42 2.03757 -0.00000 0.00000 -0.00000 -0.00000 2.03757 R43 2.05281 -0.00000 -0.00001 0.00000 -0.00001 2.05280 A1 1.95833 0.00001 -0.00003 0.00001 -0.00002 1.95831 A2 1.97682 -0.00002 0.00000 -0.00001 -0.00001 1.97681 A3 1.90924 0.00000 0.00007 -0.00007 -0.00000 1.90924 A4 1.87552 0.00001 -0.00006 0.00009 0.00003 1.87555 A5 1.91889 -0.00001 0.00003 -0.00007 -0.00004 1.91885 A6 1.81967 0.00001 -0.00001 0.00006 0.00005 1.81972 A7 1.90912 0.00001 -0.00001 0.00006 0.00005 1.90917 A8 1.92357 -0.00001 0.00002 -0.00004 -0.00002 1.92354 A9 1.93447 -0.00000 0.00001 -0.00003 -0.00002 1.93445 A10 1.88306 -0.00000 -0.00000 0.00001 0.00000 1.88306 A11 1.90242 -0.00000 -0.00001 -0.00000 -0.00001 1.90241 A12 1.91035 0.00000 -0.00001 0.00001 -0.00000 1.91035 A13 1.90436 0.00000 -0.00002 0.00004 0.00002 1.90438 A14 2.08440 0.00003 -0.00019 0.00009 -0.00011 2.08429 A15 2.19715 -0.00000 -0.00006 -0.00010 -0.00016 2.19698 A16 2.02949 -0.00000 0.00007 0.00005 0.00012 2.02961 A17 2.05556 0.00001 0.00000 0.00003 0.00004 2.05559 A18 2.33579 0.00002 -0.00008 0.00005 -0.00003 2.33576 A19 2.03082 -0.00000 0.00004 -0.00000 0.00004 2.03086 A20 1.91625 -0.00002 0.00004 -0.00005 -0.00001 1.91624 A21 1.83556 0.00002 -0.00002 0.00004 0.00002 1.83558 A22 1.97759 -0.00001 0.00001 -0.00003 -0.00001 1.97757 A23 2.22058 0.00007 -0.00006 0.00012 0.00006 2.22064 A24 2.08470 -0.00005 0.00005 -0.00010 -0.00005 2.08465 A25 2.26427 -0.00003 0.00004 -0.00004 -0.00000 2.26426 A26 2.16478 0.00003 -0.00006 0.00007 0.00001 2.16480 A27 1.84555 0.00000 0.00002 -0.00002 -0.00001 1.84555 A28 1.84956 0.00001 -0.00005 0.00006 0.00001 1.84957 A29 2.20511 -0.00003 -0.00000 -0.00008 -0.00008 2.20503 A30 2.22831 0.00002 0.00005 0.00002 0.00007 2.22837 A31 1.95339 0.00001 -0.00001 0.00004 0.00003 1.95342 A32 2.23674 0.00001 0.00002 0.00002 0.00004 2.23679 A33 2.02476 0.00000 -0.00007 0.00005 -0.00002 2.02474 A34 2.02167 -0.00001 0.00005 -0.00007 -0.00002 2.02165 A35 2.08466 -0.00000 -0.00005 -0.00002 -0.00007 2.08459 A36 2.03098 0.00006 -0.00019 0.00012 -0.00006 2.03092 A37 2.15244 -0.00000 0.00002 0.00000 0.00002 2.15246 A38 2.12547 0.00000 -0.00009 0.00005 -0.00005 2.12543 A39 2.00523 -0.00000 0.00008 -0.00005 0.00003 2.00526 A40 2.14978 -0.00000 -0.00015 0.00001 -0.00013 2.14964 A41 2.14382 0.00001 0.00021 0.00003 0.00024 2.14406 A42 1.98921 -0.00001 -0.00005 -0.00005 -0.00010 1.98911 A43 2.10538 -0.00001 0.00045 -0.00000 0.00044 2.10582 A44 2.10626 -0.00001 0.00020 0.00005 0.00024 2.10651 A45 2.04296 0.00002 0.00005 0.00002 0.00006 2.04302 A46 1.90443 0.00001 0.00019 0.00001 0.00020 1.90463 A47 1.90901 0.00000 -0.00009 0.00001 -0.00008 1.90894 A48 1.94316 -0.00000 -0.00016 0.00001 -0.00015 1.94301 A49 1.91276 -0.00001 0.00002 -0.00003 -0.00001 1.91275 A50 1.89565 -0.00000 -0.00009 -0.00001 -0.00010 1.89555 A51 1.89865 -0.00000 0.00013 0.00000 0.00013 1.89879 A52 1.92360 -0.00000 0.00005 -0.00000 0.00005 1.92366 A53 1.94785 0.00001 -0.00009 0.00003 -0.00006 1.94779 A54 1.92220 -0.00000 0.00005 -0.00002 0.00003 1.92223 A55 1.88871 -0.00000 -0.00004 0.00000 -0.00004 1.88867 A56 1.88899 -0.00000 0.00003 -0.00003 0.00000 1.88899 A57 1.89102 0.00000 0.00000 0.00001 0.00002 1.89104 A58 2.10591 0.00001 0.00009 0.00001 0.00010 2.10601 A59 2.09911 0.00001 0.00012 -0.00003 0.00009 2.09920 A60 2.04871 -0.00001 0.00023 -0.00012 0.00011 2.04882 A61 1.92160 -0.00001 0.00005 -0.00002 0.00003 1.92163 A62 1.94626 0.00002 -0.00010 0.00007 -0.00003 1.94623 A63 1.92032 -0.00001 0.00002 -0.00003 -0.00001 1.92031 A64 1.89213 -0.00000 -0.00001 0.00001 -0.00000 1.89213 A65 1.88977 0.00000 0.00005 -0.00004 0.00001 1.88978 A66 1.89250 0.00000 -0.00000 0.00001 0.00000 1.89250 A67 1.90000 0.00000 0.00005 -0.00004 0.00001 1.90001 A68 1.91368 -0.00000 0.00000 -0.00000 0.00000 1.91368 A69 1.94531 -0.00000 -0.00002 0.00001 -0.00002 1.94530 A70 1.90692 0.00000 0.00001 -0.00000 0.00001 1.90693 A71 1.90060 0.00000 -0.00003 0.00002 -0.00001 1.90059 A72 1.89699 0.00000 -0.00001 0.00001 0.00000 1.89699 D1 1.09010 -0.00000 0.00011 -0.00030 -0.00019 1.08991 D2 -3.12553 0.00000 0.00012 -0.00028 -0.00017 -3.12570 D3 -1.00801 -0.00000 0.00012 -0.00032 -0.00020 -1.00821 D4 -3.06579 -0.00000 0.00001 -0.00018 -0.00017 -3.06596 D5 -0.99823 0.00000 0.00001 -0.00016 -0.00015 -0.99838 D6 1.11929 -0.00000 0.00002 -0.00020 -0.00018 1.11911 D7 -1.04433 -0.00000 0.00004 -0.00016 -0.00012 -1.04445 D8 1.02323 0.00000 0.00005 -0.00015 -0.00010 1.02313 D9 3.14075 -0.00000 0.00005 -0.00018 -0.00013 3.14062 D10 -1.04276 -0.00001 0.00021 -0.00007 0.00014 -1.04262 D11 3.05632 0.00001 0.00028 -0.00013 0.00015 3.05647 D12 1.08618 -0.00000 0.00031 -0.00021 0.00010 1.08628 D13 -1.10411 -0.00000 0.00044 -0.00028 0.00016 -1.10394 D14 2.19857 -0.00000 0.00048 -0.00035 0.00013 2.19870 D15 1.06886 -0.00000 0.00036 -0.00020 0.00015 1.06901 D16 -1.91165 -0.00000 0.00039 -0.00027 0.00012 -1.91153 D17 3.10517 -0.00000 0.00036 -0.00022 0.00014 3.10531 D18 0.12466 0.00000 0.00040 -0.00029 0.00011 0.12477 D19 -0.54379 -0.00002 -0.00069 -0.00071 -0.00140 -0.54519 D20 2.64692 -0.00001 -0.00077 -0.00046 -0.00124 2.64568 D21 -0.03318 -0.00000 -0.00013 -0.00015 -0.00028 -0.03346 D22 3.13981 -0.00001 -0.00054 0.00006 -0.00048 3.13933 D23 0.02157 -0.00000 -0.00011 0.00011 0.00001 0.02158 D24 -3.08922 0.00000 -0.00010 0.00016 0.00007 -3.08916 D25 3.11339 -0.00000 -0.00002 -0.00013 -0.00015 3.11324 D26 0.00259 -0.00000 -0.00001 -0.00008 -0.00009 0.00250 D27 3.10476 -0.00000 0.00003 -0.00006 -0.00003 3.10473 D28 0.00814 0.00000 -0.00005 0.00017 0.00012 0.00826 D29 -3.11795 -0.00001 -0.00002 -0.00003 -0.00005 -3.11800 D30 -0.00568 -0.00001 -0.00003 -0.00008 -0.00011 -0.00579 D31 3.11000 0.00000 -0.00006 0.00008 0.00002 3.11002 D32 -0.01077 0.00000 0.00004 -0.00001 0.00003 -0.01073 D33 -0.00798 0.00000 -0.00005 0.00012 0.00007 -0.00792 D34 -3.12875 0.00000 0.00005 0.00003 0.00008 -3.12867 D35 0.01775 0.00001 0.00010 0.00000 0.00011 0.01786 D36 3.13188 -0.00001 -0.00002 -0.00008 -0.00010 3.13178 D37 -3.02610 -0.00001 -0.00010 0.00001 -0.00010 -3.02619 D38 -0.02305 -0.00001 -0.00014 0.00007 -0.00007 -0.02311 D39 0.14061 0.00000 0.00001 0.00008 0.00009 0.14069 D40 -3.13953 0.00000 -0.00003 0.00014 0.00012 -3.13941 D41 0.39404 -0.00001 -0.00025 -0.00039 -0.00065 0.39340 D42 -2.77652 -0.00003 -0.00038 -0.00048 -0.00086 -2.77738 D43 3.03071 -0.00000 0.00008 -0.00006 0.00002 3.03073 D44 -0.13207 -0.00000 -0.00002 0.00003 0.00001 -0.13207 D45 0.01763 0.00000 0.00011 -0.00011 -0.00000 0.01762 D46 3.13803 0.00000 0.00000 -0.00002 -0.00002 3.13801 D47 0.00673 -0.00000 -0.00001 0.00001 0.00000 0.00674 D48 -3.10957 0.00000 0.00012 -0.00010 0.00002 -3.10955 D49 0.00589 0.00000 -0.00006 0.00009 0.00003 0.00592 D50 -3.14065 0.00000 0.00004 -0.00006 -0.00002 -3.14068 D51 -0.01358 -0.00000 0.00009 -0.00018 -0.00009 -0.01367 D52 3.13296 -0.00000 -0.00001 -0.00004 -0.00004 3.13292 D53 -3.04506 -0.00001 -0.00021 -0.00017 -0.00038 -3.04545 D54 0.08585 -0.00000 0.00002 -0.00004 -0.00002 0.08583 D55 -2.91898 0.00000 -0.00123 0.00040 -0.00082 -2.91981 D56 -0.04245 -0.00000 0.00072 -0.00022 0.00050 -0.04195 D57 0.23262 -0.00000 -0.00144 0.00028 -0.00116 0.23146 D58 3.10916 -0.00001 0.00050 -0.00034 0.00016 3.10932 D59 -0.09563 0.00001 0.00109 -0.00011 0.00098 -0.09465 D60 -2.97516 -0.00001 -0.00199 -0.00041 -0.00240 -2.97757 D61 3.07472 -0.00000 0.00071 0.00009 0.00080 3.07552 D62 0.19519 -0.00002 -0.00237 -0.00022 -0.00258 0.19260 D63 2.58984 -0.00001 -0.00562 -0.00013 -0.00575 2.58408 D64 0.49760 -0.00001 -0.00570 -0.00011 -0.00581 0.49179 D65 -1.60124 -0.00001 -0.00571 -0.00013 -0.00583 -1.60707 D66 -0.80462 0.00000 -0.00263 0.00017 -0.00246 -0.80708 D67 -2.89685 0.00000 -0.00272 0.00019 -0.00252 -2.89938 D68 1.28749 0.00000 -0.00272 0.00018 -0.00255 1.28494 D69 -2.38267 0.00000 0.00214 0.00017 0.00232 -2.38035 D70 1.80141 0.00000 0.00222 0.00015 0.00237 1.80378 D71 -0.29968 -0.00000 0.00224 0.00013 0.00237 -0.29731 D72 1.01193 -0.00001 -0.00088 -0.00012 -0.00100 1.01092 D73 -1.08719 -0.00001 -0.00081 -0.00014 -0.00095 -1.08814 D74 3.09491 -0.00001 -0.00078 -0.00017 -0.00095 3.09396 D75 -2.38713 0.00001 0.00122 0.00011 0.00134 -2.38580 D76 1.79502 0.00000 0.00127 0.00007 0.00134 1.79636 D77 -0.30563 -0.00000 0.00133 0.00004 0.00136 -0.30426 D78 1.01210 0.00001 -0.00066 0.00071 0.00005 1.01215 D79 -1.08894 0.00000 -0.00061 0.00067 0.00006 -1.08888 D80 3.09360 -0.00000 -0.00055 0.00063 0.00008 3.09368 D81 2.75092 0.00000 -0.00082 0.00041 -0.00041 2.75051 D82 0.66568 0.00000 -0.00086 0.00043 -0.00043 0.66525 D83 -1.43555 0.00000 -0.00083 0.00041 -0.00042 -1.43597 D84 -0.64726 0.00000 0.00105 -0.00018 0.00087 -0.64639 D85 -2.73250 0.00000 0.00101 -0.00015 0.00085 -2.73165 D86 1.44946 0.00000 0.00103 -0.00018 0.00086 1.45032 Item Value Threshold Converged? Maximum Force 0.000072 0.000450 YES RMS Force 0.000015 0.000300 YES Maximum Displacement 0.015067 0.001800 NO RMS Displacement 0.002384 0.001200 NO Predicted change in Energy=-1.828263D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957816 -4.940426 2.054048 2 6 0 7.185484 -5.229526 3.530248 3 8 0 6.830858 -6.112711 1.298687 4 7 0 2.998182 -0.798871 0.094455 5 6 0 4.230493 -1.386898 0.284448 6 6 0 4.469533 -2.587984 0.956077 7 7 0 3.652261 -3.519876 1.576853 8 6 0 4.455708 -4.412928 2.048112 9 7 0 5.784322 -4.134574 1.804581 10 6 0 5.794194 -2.965386 1.087258 11 7 0 6.841131 -2.309338 0.632018 12 6 0 6.494214 -1.195862 0.012998 13 7 0 5.283336 -0.711157 -0.172696 14 1 0 7.775808 -4.344245 1.674780 15 1 0 8.120343 -5.770929 3.651967 16 1 0 7.263042 -4.301802 4.086015 17 7 0 4.121638 -5.537881 2.759162 18 1 0 6.380014 -5.824029 3.933702 19 1 0 7.622959 -6.625226 1.385830 20 6 0 2.931997 -5.968276 2.610811 21 1 0 7.300749 -0.607617 -0.386656 22 6 0 1.967429 -1.532414 -0.017034 23 1 0 2.005625 -2.609528 -0.000643 24 7 0 0.732497 -1.032200 -0.201404 25 6 0 0.502025 0.396468 -0.166175 26 6 0 -0.427662 -1.886338 -0.121281 27 1 0 -0.309196 0.642193 -0.842048 28 1 0 1.397197 0.910575 -0.474269 29 1 0 0.233477 0.729193 0.833659 30 1 0 -1.114706 -1.662227 -0.930115 31 1 0 -0.956721 -1.755876 0.820183 32 1 0 -0.132807 -2.923878 -0.205320 33 7 0 2.425712 -6.987216 3.314909 34 1 0 2.250441 -5.522098 1.903433 35 6 0 1.179489 -7.607345 2.922987 36 6 0 3.252395 -7.697549 4.269481 37 1 0 0.560525 -7.783229 3.795082 38 1 0 1.347157 -8.558089 2.423635 39 1 0 0.638500 -6.957591 2.248568 40 1 0 2.611370 -8.184789 4.993353 41 1 0 3.898491 -7.000591 4.778797 42 1 0 3.866679 -8.448928 3.781503 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521374 0.000000 3 O 1.400336 2.426034 0.000000 4 N 6.055674 6.997777 6.661567 0.000000 5 C 4.816361 5.833779 5.488523 1.378573 0.000000 6 C 3.595981 4.580447 4.256400 2.471476 1.396722 7 N 3.629376 4.384326 4.111404 3.166890 2.560128 8 C 2.557115 3.211734 3.015334 4.359194 3.509714 9 N 1.445240 2.477923 2.294383 4.670548 3.503557 10 C 2.487867 3.609739 3.320396 3.673844 2.362475 11 N 2.993060 4.128658 3.861373 4.163981 2.790543 12 C 4.289821 5.396235 5.093302 3.519443 2.287928 13 N 5.064483 6.143746 5.808320 2.302389 1.331948 14 H 1.080919 2.138917 2.040061 6.155714 4.821637 15 H 2.143490 1.087150 2.705091 7.975826 6.759501 16 H 2.151719 1.084234 3.351921 6.811175 5.669650 17 N 2.982959 3.174399 3.131020 5.551670 4.833913 18 H 2.155855 1.079348 2.688848 7.171390 6.133973 19 H 1.930669 2.595745 0.947465 7.550009 6.337346 20 C 4.192097 4.413985 4.116266 5.749711 5.299724 21 H 4.984764 6.059494 5.776438 4.333604 3.237921 22 C 6.388105 7.312998 6.809051 1.270026 2.287690 23 H 5.846284 6.794300 6.102739 2.067049 2.554630 24 N 7.688686 8.554754 8.077863 2.296803 3.549344 25 C 8.665395 9.485989 9.196160 2.779850 4.157515 26 C 8.282801 9.081330 8.518488 3.600768 4.702389 27 H 9.610539 10.476845 10.059415 3.727258 5.098527 28 H 8.458551 9.340303 9.055086 2.410146 3.725802 29 H 8.879789 9.545068 9.515951 3.244225 4.555832 30 H 9.209637 10.075396 9.375838 4.325618 5.488362 31 H 8.619959 9.257764 8.936295 4.133255 5.227843 32 H 7.710263 8.533924 7.805339 3.795868 4.651943 33 N 5.130214 5.078511 4.922928 6.999619 6.618496 34 H 4.745567 5.204496 4.657764 5.112768 4.862262 35 C 6.423128 6.488048 6.067145 7.593653 7.413803 36 C 5.122501 4.701786 4.913525 8.067666 7.527382 37 H 7.213742 7.105042 6.952676 8.271522 8.167390 38 H 6.686073 6.811019 6.108712 8.267795 8.019708 39 H 6.636305 6.891437 6.321502 6.938165 6.913233 40 H 6.169036 5.638863 5.978976 8.871337 8.426546 41 H 4.585630 3.936987 4.636623 7.823998 7.198815 42 H 4.984859 4.630566 4.517593 8.536509 7.888854 6 7 8 9 10 6 C 0.000000 7 N 1.386260 0.000000 8 C 2.126770 1.290408 0.000000 9 N 2.200129 2.230560 1.379132 0.000000 10 C 1.383608 2.266063 2.193209 1.371732 0.000000 11 N 2.409800 3.539351 3.481473 2.413138 1.316707 12 C 2.631869 3.990411 4.318184 3.514220 2.185241 13 N 2.336426 3.689205 4.395460 3.985021 2.632491 14 H 3.812144 4.206282 3.341730 2.006696 2.484598 15 H 5.543228 5.416373 4.224461 3.398160 4.456430 16 H 4.531818 4.465987 3.470810 2.723879 3.596674 17 N 3.474772 2.385480 1.372120 2.375924 3.494344 18 H 4.794599 4.278375 3.041317 2.782493 4.076429 19 H 5.140828 5.044416 3.919740 3.123986 4.102189 20 C 4.065530 2.753636 2.248873 3.485431 4.419359 21 H 3.706828 5.064393 5.338796 4.420463 3.162468 22 C 2.884735 3.054364 4.330556 4.965701 4.232848 23 H 2.643221 2.455329 3.667772 4.456809 3.957704 24 N 4.210186 4.227973 5.509260 6.258565 5.569438 25 C 5.089943 5.319764 6.607947 7.233041 6.393764 26 C 5.063153 4.711463 5.910772 6.881297 6.429339 27 H 6.041816 6.234344 7.524066 8.182487 7.347667 28 H 4.870837 5.377854 6.637513 7.063536 6.065890 29 H 5.381711 5.504090 6.763397 7.443842 6.681003 30 H 5.966445 5.697343 6.889535 7.822253 7.314432 31 H 5.491366 4.992691 6.153221 7.215879 6.863607 32 H 4.758487 4.225885 5.324443 6.365368 6.066451 33 N 5.393935 4.067888 3.514629 4.658210 5.699493 34 H 3.798799 2.465897 2.472730 3.797804 4.445347 35 C 6.315624 4.963274 4.658682 5.874986 6.798029 36 C 6.210292 4.986290 4.143812 5.018085 6.243449 37 H 7.094424 5.714504 5.439052 6.675540 7.611519 38 H 6.895296 5.604831 5.194850 6.295963 7.269138 39 H 5.953218 4.620805 4.592011 5.886088 6.623256 40 H 7.146789 5.875146 5.128642 6.053110 7.254662 41 H 5.866035 4.735868 3.803042 4.540525 5.788266 42 H 6.534304 5.403888 4.431805 5.118518 6.406520 11 12 13 14 15 11 N 0.000000 12 C 1.320365 0.000000 13 N 2.372439 1.317439 0.000000 14 H 2.470187 3.783691 4.777543 0.000000 15 H 4.768553 6.067753 6.948234 2.462397 0.000000 16 H 4.009740 5.179520 5.911733 2.465519 1.755476 17 N 4.726931 5.658945 5.765640 3.994197 4.103785 18 H 4.844255 6.066704 6.648810 3.039857 1.763786 19 H 4.450436 5.712856 6.548210 2.304285 2.472365 20 C 5.708308 6.497227 6.396406 5.193855 5.295459 21 H 2.035878 1.075293 2.031367 4.293902 6.606210 22 C 4.977735 4.539378 3.419639 6.671274 8.323757 23 H 4.885948 4.705961 3.791676 6.253903 7.792676 24 N 6.296116 5.768027 4.562240 8.006119 9.585630 25 C 6.938498 6.202738 4.907934 8.875326 10.519210 26 C 7.319954 6.957525 5.830883 8.750089 10.119083 27 H 7.874742 7.099009 5.792754 9.826814 11.505713 28 H 6.420912 5.536613 4.221734 8.539217 10.337747 29 H 7.275603 6.601223 5.346815 9.128746 10.601750 30 H 8.133532 7.681316 6.512539 9.644684 11.097884 31 H 7.819733 7.515424 6.404339 9.148063 10.321470 32 H 7.050858 6.852088 5.850796 8.252176 9.544572 33 N 6.969676 7.809937 7.727764 6.188606 5.832820 34 H 5.745673 6.348202 6.054248 5.654140 6.129848 35 C 8.085271 8.821647 8.601292 7.464400 7.216598 36 C 7.425832 8.420153 8.524514 6.199870 5.271632 37 H 8.911480 9.638788 9.384158 8.269377 7.824365 38 H 8.511200 9.300847 9.154714 7.723006 7.426514 39 H 7.917835 8.513793 8.151991 7.622334 7.704263 40 H 8.451808 9.419422 9.470092 7.241141 6.162371 41 H 6.918291 7.946413 8.123549 5.632466 4.539366 42 H 7.514066 8.585600 8.804300 6.047147 5.028132 16 17 18 19 20 16 H 0.000000 17 N 3.627237 0.000000 18 H 1.766385 2.561579 0.000000 19 H 3.580340 3.915049 2.945926 0.000000 20 C 4.869427 1.273772 3.695899 4.892574 0.000000 21 H 5.801139 6.656607 6.835511 6.281492 7.537073 22 C 7.249002 5.328381 7.314177 7.738849 5.245267 23 H 6.870589 4.546349 6.704280 7.042910 4.354198 24 N 8.468783 6.368076 8.482640 9.015527 6.091896 25 C 9.266402 7.541598 9.489696 10.120307 7.357063 26 C 9.093004 6.505909 8.848319 9.462608 5.950954 27 H 10.298916 8.413936 10.457788 10.986260 8.131781 28 H 9.075968 7.711047 9.466444 9.950295 7.693628 29 H 9.235990 7.622439 9.504467 10.440154 7.436153 30 H 10.115116 7.486705 9.856375 10.312213 6.888832 31 H 9.203907 6.622155 8.948271 9.881369 6.006063 32 H 8.660994 5.807019 8.243738 8.739774 5.156741 33 N 5.586217 2.299042 4.168023 5.555516 1.338028 34 H 5.601693 2.057645 4.611565 5.508970 1.078878 35 C 7.020603 3.600800 5.589921 6.696694 2.419770 36 C 5.258331 2.775034 3.661260 5.344824 2.417484 37 H 7.558354 4.335464 6.141998 7.551387 3.212543 38 H 7.475104 4.114849 5.923262 6.648210 3.042020 39 H 7.369802 3.795857 6.090125 7.045385 2.523904 40 H 6.126901 3.778709 4.571512 6.368869 3.269899 41 H 4.368480 2.503645 2.873402 5.052206 2.588425 42 H 5.369047 3.095865 3.637322 4.814019 2.897893 21 22 23 24 25 21 H 0.000000 22 C 5.425511 0.000000 23 H 5.674062 1.077915 0.000000 24 N 6.584567 1.345089 2.036940 0.000000 25 C 6.876005 2.426982 3.365149 1.447567 0.000000 26 C 7.837977 2.423343 2.541346 1.442892 2.465266 27 H 7.725326 3.254625 4.079221 2.073436 1.084095 28 H 6.096269 2.549985 3.603558 2.071390 1.077294 29 H 7.295379 2.974077 3.870868 2.103065 1.087424 30 H 8.498672 3.217161 3.390835 2.083293 2.726839 31 H 8.423821 3.049840 3.190294 2.102571 2.780904 32 H 7.788177 2.526384 2.171083 2.080195 3.380716 33 N 8.841202 6.408334 5.507587 7.119948 8.386735 34 H 7.409604 4.436876 3.488338 5.185911 6.509198 35 C 9.870145 6.794804 5.848786 7.293433 8.605981 36 C 9.398719 7.618021 6.758428 8.412228 9.630820 37 H 10.696119 7.455488 6.577463 7.847157 9.088587 38 H 10.322451 7.463358 6.457250 7.994225 9.359778 39 H 9.573512 6.027565 5.082679 6.412601 7.741562 40 H 10.409050 8.353008 7.509358 9.037433 10.232695 41 H 8.895357 7.525287 6.760726 8.393307 9.523928 42 H 9.521163 8.116292 7.201857 8.983012 10.254077 26 27 28 29 30 26 C 0.000000 27 H 2.631920 0.000000 28 H 3.358189 1.766088 0.000000 29 H 2.861820 1.763535 1.760062 0.000000 30 H 1.084651 2.442735 3.624467 3.263033 0.000000 31 H 1.087787 2.988818 3.785036 2.755416 1.759907 32 H 1.081893 3.626761 4.137183 3.815569 1.755339 33 N 6.779978 9.108671 8.819911 8.396753 7.675304 34 H 4.948783 7.217194 6.910917 6.655163 5.852504 35 C 6.676858 9.189480 9.172988 8.646277 7.446755 36 C 8.160379 10.409801 10.002236 9.587947 9.084739 37 H 7.147568 9.656454 9.721605 9.018775 7.912050 38 H 7.357910 9.902190 9.902320 9.487987 8.053652 39 H 5.698288 8.258737 8.360472 7.826407 6.420173 40 H 8.664046 10.977122 10.681515 10.120104 9.566343 41 H 8.299514 10.378374 9.820270 9.420509 9.285576 42 H 8.760175 11.021054 10.574036 10.301836 9.647426 31 32 33 34 35 31 H 0.000000 32 H 1.759182 0.000000 33 N 6.710547 5.953886 0.000000 34 H 5.063966 4.108218 2.041950 0.000000 35 C 6.574563 5.783018 1.446110 2.556303 0.000000 36 C 8.057159 7.366911 1.448857 3.366702 2.473484 37 H 6.890649 6.332236 2.084017 3.398068 1.083790 38 H 7.358601 6.391090 2.103637 3.209949 1.086912 39 H 5.625198 4.784069 2.081367 2.185889 1.081523 40 H 8.454440 7.888846 2.070223 4.094851 2.582661 41 H 8.170112 7.596866 2.076589 3.629012 3.347409 42 H 8.765361 7.900432 2.104922 3.834802 2.943858 36 37 38 39 40 36 C 0.000000 37 H 2.734696 0.000000 38 H 2.788837 1.760700 0.000000 39 H 3.385864 1.754840 1.759101 0.000000 40 H 1.082732 2.408956 2.888086 3.596120 0.000000 41 H 1.078236 3.566824 3.805508 4.126917 1.762113 42 H 1.086295 3.372535 2.864213 3.872353 1.764696 41 42 41 H 0.000000 42 H 1.758774 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487854 -2.267337 0.146041 2 6 0 3.469018 -2.134788 -1.009090 3 8 0 3.046946 -1.862284 1.364355 4 7 0 -3.258946 -0.389381 -0.198576 5 6 0 -2.223660 -1.288320 -0.055209 6 6 0 -0.861999 -0.977638 -0.068993 7 7 0 -0.148204 0.204288 -0.192546 8 6 0 1.093311 -0.146254 -0.162338 9 7 0 1.272945 -1.508771 -0.047078 10 6 0 0.012719 -2.045238 0.028308 11 7 0 -0.315815 -3.315117 0.143161 12 6 0 -1.624929 -3.486998 0.149607 13 7 0 -2.566653 -2.570867 0.052106 14 1 0 2.153173 -3.292700 0.216780 15 1 0 4.321289 -2.786961 -0.835313 16 1 0 2.998931 -2.441070 -1.936869 17 7 0 2.189842 0.672603 -0.261379 18 1 0 3.817995 -1.117610 -1.101583 19 1 0 3.805320 -2.398605 1.551221 20 6 0 2.011344 1.896335 0.043765 21 1 0 -1.966746 -4.502342 0.241760 22 6 0 -3.115013 0.800230 0.222228 23 1 0 -2.223888 1.145618 0.720730 24 7 0 -4.077947 1.733316 0.115588 25 6 0 -5.303893 1.450299 -0.600240 26 6 0 -3.801024 3.115849 0.421944 27 1 0 -6.117608 2.001730 -0.143015 28 1 0 -5.510727 0.394188 -0.551145 29 1 0 -5.229044 1.744432 -1.644450 30 1 0 -4.608789 3.538654 1.009497 31 1 0 -3.689687 3.711632 -0.481342 32 1 0 -2.887609 3.194295 0.996411 33 7 0 2.952724 2.835655 -0.103879 34 1 0 1.071887 2.252727 0.436679 35 6 0 2.796561 4.138362 0.504235 36 6 0 4.271872 2.478492 -0.584990 37 1 0 3.089332 4.913206 -0.194694 38 1 0 3.405147 4.235815 1.399503 39 1 0 1.761873 4.299092 0.774935 40 1 0 4.741067 3.358723 -1.006129 41 1 0 4.186769 1.721360 -1.347945 42 1 0 4.897168 2.096036 0.216739 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211733 0.1991371 0.1278729 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3496495187 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.92D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000025 0.000019 -0.000083 Ang= -0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963427 A.U. after 8 cycles NFock= 8 Conv=0.80D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000004320 -0.000036875 -0.000014285 2 6 -0.000001476 0.000009789 0.000004081 3 8 -0.000007013 0.000014217 0.000010645 4 7 -0.000047416 -0.000032732 -0.000006884 5 6 0.000078234 0.000045720 -0.000016582 6 6 -0.000028596 0.000015483 0.000001682 7 7 0.000060925 -0.000009777 -0.000005216 8 6 -0.000077996 0.000031039 -0.000008733 9 7 0.000040634 0.000068118 -0.000012660 10 6 -0.000008511 -0.000076375 0.000039439 11 7 -0.000010268 0.000077125 -0.000046951 12 6 0.000054305 -0.000071835 0.000045842 13 7 -0.000083931 -0.000019073 0.000008992 14 1 -0.000001827 0.000002029 -0.000001760 15 1 -0.000000568 -0.000002179 0.000003157 16 1 -0.000000129 0.000001483 -0.000001930 17 7 0.000004305 -0.000036233 -0.000008924 18 1 -0.000001873 -0.000001706 0.000000532 19 1 0.000001262 0.000003471 -0.000001674 20 6 0.000010632 -0.000004257 -0.000010307 21 1 -0.000002002 0.000001812 -0.000002967 22 6 0.000050582 0.000023210 -0.000019091 23 1 -0.000004752 0.000000388 0.000003320 24 7 -0.000026453 0.000004039 0.000028258 25 6 0.000002894 -0.000003463 -0.000006854 26 6 0.000005615 0.000001795 -0.000002052 27 1 0.000002323 0.000004056 -0.000000632 28 1 0.000001257 0.000004785 -0.000001125 29 1 -0.000001019 -0.000000772 -0.000001023 30 1 -0.000000433 -0.000000425 -0.000001032 31 1 -0.000002129 -0.000001386 0.000000246 32 1 -0.000000111 -0.000001117 -0.000004177 33 7 -0.000023829 0.000025930 0.000018953 34 1 -0.000001816 -0.000002620 0.000013347 35 6 0.000011195 -0.000019662 -0.000001242 36 6 0.000004526 -0.000019080 -0.000007114 37 1 -0.000000736 0.000009723 0.000000643 38 1 -0.000005807 -0.000010001 -0.000000012 39 1 0.000007197 0.000001456 0.000003322 40 1 -0.000000468 -0.000000017 0.000000533 41 1 -0.000000478 0.000000833 0.000000583 42 1 -0.000000569 0.000003082 -0.000000350 ------------------------------------------------------------------- Cartesian Forces: Max 0.000083931 RMS 0.000024521 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000077688 RMS 0.000014314 Search for a local minimum. Step number 31 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 DE= -2.37D-07 DEPred=-1.83D-07 R= 1.30D+00 Trust test= 1.30D+00 RLast= 1.30D-02 DXMaxT set to 1.67D+00 ITU= 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00046 0.00096 0.00139 0.00247 0.00422 Eigenvalues --- 0.00500 0.00640 0.00837 0.01198 0.01262 Eigenvalues --- 0.01493 0.02080 0.02087 0.02165 0.02299 Eigenvalues --- 0.02429 0.02552 0.02588 0.02618 0.02756 Eigenvalues --- 0.03105 0.03265 0.03445 0.03692 0.04614 Eigenvalues --- 0.05311 0.05468 0.05631 0.05701 0.06333 Eigenvalues --- 0.06631 0.07407 0.07486 0.07574 0.07600 Eigenvalues --- 0.07686 0.07808 0.07952 0.08126 0.08434 Eigenvalues --- 0.15612 0.15815 0.15866 0.15945 0.15975 Eigenvalues --- 0.15986 0.15993 0.15999 0.16004 0.16010 Eigenvalues --- 0.16018 0.16031 0.16061 0.16102 0.16190 Eigenvalues --- 0.16317 0.16750 0.17523 0.18123 0.18781 Eigenvalues --- 0.20782 0.22048 0.22344 0.23149 0.23670 Eigenvalues --- 0.23731 0.24210 0.24426 0.24826 0.24960 Eigenvalues --- 0.25035 0.25576 0.26203 0.26356 0.27572 Eigenvalues --- 0.28735 0.32391 0.32826 0.33077 0.33206 Eigenvalues --- 0.33349 0.33426 0.33539 0.33562 0.33629 Eigenvalues --- 0.33650 0.33685 0.33697 0.33763 0.33787 Eigenvalues --- 0.33886 0.34023 0.34818 0.35994 0.37480 Eigenvalues --- 0.38467 0.38910 0.39458 0.39758 0.40251 Eigenvalues --- 0.40448 0.40703 0.41077 0.41923 0.43023 Eigenvalues --- 0.46023 0.47796 0.48385 0.50600 0.51507 Eigenvalues --- 0.52909 0.54689 0.59401 0.59897 0.66034 Eigenvalues --- 0.67868 0.70910 0.75124 0.75932 0.89471 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 27 26 25 24 23 22 RFO step: Lambda=-2.08481996D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 2.15496 -1.05284 -0.81947 0.99335 -0.27600 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00229662 RMS(Int)= 0.00000212 Iteration 2 RMS(Cart)= 0.00000327 RMS(Int)= 0.00000018 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000018 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87498 0.00000 -0.00001 0.00003 0.00001 2.87499 R2 2.64625 -0.00002 -0.00002 -0.00003 -0.00005 2.64620 R3 2.73111 -0.00000 0.00007 -0.00008 -0.00001 2.73110 R4 2.04264 0.00000 -0.00000 0.00001 0.00001 2.04265 R5 2.05442 0.00000 0.00001 -0.00001 0.00000 2.05442 R6 2.04891 0.00000 -0.00000 0.00001 0.00000 2.04891 R7 2.03967 0.00000 0.00000 0.00001 0.00001 2.03968 R8 1.79045 -0.00000 0.00000 -0.00001 -0.00001 1.79044 R9 2.60513 0.00002 -0.00000 0.00001 0.00001 2.60514 R10 2.40000 -0.00004 -0.00005 -0.00000 -0.00005 2.39995 R11 2.63942 0.00002 -0.00008 0.00005 -0.00002 2.63940 R12 2.51702 -0.00006 -0.00000 -0.00007 -0.00007 2.51695 R13 2.61965 0.00000 -0.00002 0.00000 -0.00002 2.61964 R14 2.61464 0.00001 0.00007 -0.00003 0.00004 2.61467 R15 2.43852 -0.00002 -0.00008 -0.00001 -0.00009 2.43843 R16 2.60618 0.00003 0.00016 -0.00001 0.00015 2.60633 R17 2.59293 0.00005 -0.00001 0.00002 0.00001 2.59295 R18 2.59220 -0.00005 -0.00015 -0.00001 -0.00015 2.59204 R19 2.48822 0.00002 0.00003 0.00003 0.00006 2.48828 R20 2.49513 -0.00007 -0.00007 -0.00004 -0.00011 2.49502 R21 2.48960 0.00003 -0.00002 0.00012 0.00009 2.48969 R22 2.03201 0.00000 -0.00000 0.00001 0.00001 2.03201 R23 2.40708 0.00000 0.00002 -0.00001 0.00000 2.40708 R24 2.52851 0.00002 -0.00003 0.00002 -0.00001 2.52850 R25 2.03878 -0.00001 -0.00001 -0.00001 -0.00002 2.03877 R26 2.03696 -0.00000 0.00003 -0.00001 0.00002 2.03698 R27 2.54185 0.00002 -0.00003 0.00001 -0.00002 2.54183 R28 2.73551 0.00000 -0.00004 0.00001 -0.00003 2.73548 R29 2.72667 -0.00000 -0.00005 -0.00001 -0.00006 2.72661 R30 2.04864 -0.00000 0.00002 0.00001 0.00003 2.04867 R31 2.03579 0.00000 -0.00001 -0.00000 -0.00001 2.03578 R32 2.05493 -0.00000 -0.00000 -0.00000 -0.00000 2.05493 R33 2.04969 0.00000 0.00002 0.00000 0.00002 2.04971 R34 2.05562 0.00000 -0.00001 0.00000 -0.00000 2.05561 R35 2.04448 0.00000 -0.00000 0.00001 0.00001 2.04449 R36 2.73275 -0.00000 0.00003 -0.00004 -0.00000 2.73275 R37 2.73794 0.00000 0.00001 -0.00001 0.00000 2.73795 R38 2.04807 -0.00000 0.00001 0.00001 0.00002 2.04808 R39 2.05397 0.00001 -0.00001 0.00001 -0.00000 2.05396 R40 2.04378 -0.00000 -0.00001 -0.00001 -0.00001 2.04377 R41 2.04607 0.00000 -0.00000 0.00001 0.00001 2.04607 R42 2.03757 0.00000 0.00000 -0.00001 -0.00001 2.03757 R43 2.05280 -0.00000 -0.00001 -0.00000 -0.00001 2.05279 A1 1.95831 0.00001 0.00002 0.00005 0.00007 1.95838 A2 1.97681 -0.00001 -0.00006 -0.00005 -0.00011 1.97670 A3 1.90924 0.00000 -0.00004 0.00008 0.00005 1.90929 A4 1.87555 -0.00000 0.00011 -0.00017 -0.00006 1.87549 A5 1.91885 -0.00000 -0.00008 0.00016 0.00008 1.91893 A6 1.81972 0.00000 0.00004 -0.00008 -0.00003 1.81969 A7 1.90917 0.00001 0.00009 -0.00005 0.00004 1.90921 A8 1.92354 -0.00000 -0.00005 0.00002 -0.00003 1.92351 A9 1.93445 -0.00000 -0.00004 0.00004 -0.00000 1.93444 A10 1.88306 -0.00000 0.00001 -0.00000 0.00001 1.88307 A11 1.90241 -0.00000 -0.00002 -0.00000 -0.00002 1.90239 A12 1.91035 0.00000 0.00001 -0.00000 0.00001 1.91036 A13 1.90438 -0.00000 0.00005 -0.00010 -0.00006 1.90432 A14 2.08429 0.00004 -0.00004 0.00006 0.00002 2.08431 A15 2.19698 0.00001 -0.00019 0.00004 -0.00015 2.19684 A16 2.02961 -0.00001 0.00013 -0.00003 0.00010 2.02971 A17 2.05559 0.00000 0.00006 -0.00000 0.00005 2.05565 A18 2.33576 0.00002 0.00001 0.00001 0.00001 2.33577 A19 2.03086 -0.00001 0.00003 -0.00001 0.00002 2.03088 A20 1.91624 -0.00002 -0.00004 0.00001 -0.00003 1.91621 A21 1.83558 0.00002 0.00004 0.00001 0.00005 1.83563 A22 1.97757 -0.00002 -0.00003 -0.00003 -0.00005 1.97752 A23 2.22064 0.00006 0.00017 0.00004 0.00020 2.22085 A24 2.08465 -0.00005 -0.00014 -0.00001 -0.00015 2.08450 A25 2.26426 -0.00002 -0.00003 -0.00003 -0.00006 2.26420 A26 2.16480 0.00002 0.00005 -0.00001 0.00005 2.16484 A27 1.84555 0.00001 -0.00002 0.00003 0.00001 1.84555 A28 1.84957 0.00001 0.00005 -0.00002 0.00003 1.84960 A29 2.20503 -0.00002 -0.00011 0.00002 -0.00009 2.20493 A30 2.22837 0.00001 0.00007 -0.00000 0.00006 2.22844 A31 1.95342 0.00001 0.00004 0.00002 0.00006 1.95348 A32 2.23679 0.00000 0.00006 -0.00005 0.00002 2.23680 A33 2.02474 0.00000 0.00001 0.00002 0.00002 2.02476 A34 2.02165 -0.00001 -0.00007 0.00003 -0.00004 2.02161 A35 2.08459 0.00001 -0.00008 0.00003 -0.00005 2.08454 A36 2.03092 0.00008 0.00006 0.00002 0.00008 2.03100 A37 2.15246 -0.00001 -0.00001 -0.00002 -0.00003 2.15243 A38 2.12543 0.00001 0.00001 0.00001 0.00002 2.12545 A39 2.00526 -0.00000 0.00000 0.00000 0.00001 2.00526 A40 2.14964 0.00001 -0.00007 0.00002 -0.00005 2.14959 A41 2.14406 -0.00001 0.00015 -0.00002 0.00012 2.14418 A42 1.98911 0.00000 -0.00008 0.00001 -0.00006 1.98905 A43 2.10582 -0.00001 0.00022 0.00003 0.00025 2.10607 A44 2.10651 0.00000 0.00018 -0.00002 0.00016 2.10666 A45 2.04302 0.00001 0.00013 -0.00001 0.00012 2.04314 A46 1.90463 0.00000 0.00011 0.00003 0.00014 1.90477 A47 1.90894 0.00000 -0.00004 0.00000 -0.00004 1.90889 A48 1.94301 -0.00000 -0.00004 -0.00003 -0.00007 1.94293 A49 1.91275 -0.00000 -0.00003 0.00000 -0.00003 1.91272 A50 1.89555 -0.00000 -0.00005 -0.00001 -0.00006 1.89549 A51 1.89879 -0.00000 0.00006 0.00000 0.00006 1.89885 A52 1.92366 -0.00000 0.00003 -0.00003 0.00000 1.92366 A53 1.94779 0.00000 0.00002 -0.00001 0.00000 1.94779 A54 1.92223 -0.00000 0.00000 0.00002 0.00002 1.92226 A55 1.88867 -0.00000 -0.00003 0.00001 -0.00003 1.88864 A56 1.88899 -0.00000 -0.00003 0.00001 -0.00003 1.88897 A57 1.89104 0.00000 0.00001 0.00001 0.00002 1.89106 A58 2.10601 0.00001 0.00007 0.00004 0.00011 2.10612 A59 2.09920 0.00000 0.00005 0.00001 0.00006 2.09926 A60 2.04882 -0.00002 0.00002 -0.00008 -0.00006 2.04876 A61 1.92163 -0.00001 0.00005 -0.00002 0.00003 1.92166 A62 1.94623 0.00001 -0.00005 0.00003 -0.00002 1.94621 A63 1.92031 -0.00001 0.00000 -0.00005 -0.00004 1.92027 A64 1.89213 -0.00000 0.00000 0.00002 0.00002 1.89215 A65 1.88978 0.00000 -0.00001 0.00002 0.00001 1.88979 A66 1.89250 0.00000 -0.00000 0.00001 0.00001 1.89251 A67 1.90001 0.00000 -0.00003 0.00004 0.00001 1.90002 A68 1.91368 -0.00000 0.00002 -0.00002 -0.00000 1.91368 A69 1.94530 -0.00000 -0.00001 -0.00003 -0.00003 1.94526 A70 1.90693 -0.00000 0.00000 -0.00000 -0.00000 1.90693 A71 1.90059 0.00000 0.00001 0.00001 0.00001 1.90061 A72 1.89699 0.00000 0.00000 0.00001 0.00001 1.89700 D1 1.08991 0.00000 -0.00035 0.00033 -0.00002 1.08988 D2 -3.12570 0.00000 -0.00031 0.00031 -0.00000 -3.12570 D3 -1.00821 0.00000 -0.00036 0.00034 -0.00002 -1.00823 D4 -3.06596 -0.00000 -0.00023 0.00010 -0.00013 -3.06609 D5 -0.99838 0.00000 -0.00019 0.00008 -0.00011 -0.99849 D6 1.11911 -0.00000 -0.00024 0.00011 -0.00013 1.11898 D7 -1.04445 -0.00000 -0.00023 0.00003 -0.00020 -1.04466 D8 1.02313 -0.00000 -0.00020 0.00001 -0.00018 1.02294 D9 3.14062 -0.00000 -0.00024 0.00004 -0.00020 3.14042 D10 -1.04262 -0.00001 -0.00003 -0.00025 -0.00027 -1.04289 D11 3.05647 0.00000 -0.00005 -0.00009 -0.00014 3.05633 D12 1.08628 -0.00000 -0.00012 0.00001 -0.00011 1.08617 D13 -1.10394 -0.00001 -0.00019 -0.00023 -0.00042 -1.10436 D14 2.19870 -0.00000 -0.00023 -0.00012 -0.00035 2.19835 D15 1.06901 -0.00000 -0.00012 -0.00032 -0.00044 1.06857 D16 -1.91153 -0.00000 -0.00016 -0.00022 -0.00037 -1.91190 D17 3.10531 -0.00000 -0.00014 -0.00026 -0.00040 3.10491 D18 0.12477 -0.00000 -0.00018 -0.00015 -0.00033 0.12444 D19 -0.54519 -0.00001 -0.00153 0.00040 -0.00114 -0.54633 D20 2.64568 -0.00001 -0.00139 0.00010 -0.00128 2.64440 D21 -0.03346 -0.00000 -0.00029 0.00010 -0.00019 -0.03365 D22 3.13933 -0.00001 -0.00027 -0.00018 -0.00045 3.13888 D23 0.02158 -0.00000 0.00003 -0.00010 -0.00008 0.02151 D24 -3.08916 -0.00000 0.00005 -0.00029 -0.00023 -3.08939 D25 3.11324 0.00000 -0.00012 0.00019 0.00007 3.11331 D26 0.00250 -0.00000 -0.00009 0.00001 -0.00009 0.00241 D27 3.10473 0.00000 -0.00001 0.00012 0.00010 3.10483 D28 0.00826 -0.00000 0.00013 -0.00015 -0.00002 0.00823 D29 -3.11800 -0.00000 -0.00007 -0.00002 -0.00009 -3.11809 D30 -0.00579 -0.00000 -0.00009 0.00016 0.00006 -0.00572 D31 3.11002 0.00000 0.00009 -0.00006 0.00002 3.11005 D32 -0.01073 0.00000 0.00003 0.00007 0.00011 -0.01063 D33 -0.00792 -0.00000 0.00011 -0.00021 -0.00010 -0.00802 D34 -3.12867 -0.00000 0.00005 -0.00007 -0.00002 -3.12869 D35 0.01786 0.00000 0.00004 -0.00005 -0.00001 0.01785 D36 3.13178 -0.00000 -0.00014 0.00016 0.00002 3.13180 D37 -3.02619 -0.00000 -0.00001 0.00001 -0.00000 -3.02619 D38 -0.02311 -0.00000 0.00003 -0.00008 -0.00005 -0.02317 D39 0.14069 -0.00000 0.00015 -0.00018 -0.00003 0.14067 D40 -3.13941 -0.00000 0.00019 -0.00027 -0.00008 -3.13949 D41 0.39340 -0.00002 -0.00095 -0.00071 -0.00167 0.39173 D42 -2.77738 -0.00002 -0.00114 -0.00049 -0.00164 -2.77902 D43 3.03073 -0.00000 -0.00005 0.00008 0.00003 3.03076 D44 -0.13207 -0.00000 -0.00000 -0.00006 -0.00006 -0.13212 D45 0.01762 0.00000 -0.00008 0.00017 0.00009 0.01771 D46 3.13801 0.00000 -0.00003 0.00003 0.00000 3.13801 D47 0.00674 0.00000 -0.00000 -0.00000 -0.00001 0.00673 D48 -3.10955 0.00000 -0.00007 0.00016 0.00009 -3.10945 D49 0.00592 -0.00000 0.00004 -0.00017 -0.00013 0.00580 D50 -3.14068 0.00000 -0.00005 0.00008 0.00003 -3.14064 D51 -0.01367 0.00000 -0.00011 0.00025 0.00015 -0.01353 D52 3.13292 -0.00000 -0.00002 0.00001 -0.00001 3.13291 D53 -3.04545 0.00000 -0.00008 -0.00013 -0.00021 -3.04566 D54 0.08583 -0.00001 -0.00019 -0.00009 -0.00028 0.08554 D55 -2.91981 -0.00000 -0.00069 0.00010 -0.00059 -2.92039 D56 -0.04195 -0.00001 -0.00004 -0.00005 -0.00009 -0.04204 D57 0.23146 0.00001 -0.00059 0.00007 -0.00052 0.23094 D58 3.10932 0.00000 0.00006 -0.00009 -0.00002 3.10930 D59 -0.09465 0.00000 0.00061 0.00015 0.00076 -0.09389 D60 -2.97757 -0.00000 -0.00183 0.00015 -0.00168 -2.97925 D61 3.07552 -0.00000 0.00063 -0.00011 0.00052 3.07604 D62 0.19260 -0.00001 -0.00182 -0.00011 -0.00193 0.19067 D63 2.58408 -0.00000 -0.00345 0.00003 -0.00342 2.58067 D64 0.49179 -0.00000 -0.00345 0.00001 -0.00344 0.48835 D65 -1.60707 -0.00000 -0.00347 0.00002 -0.00345 -1.61052 D66 -0.80708 0.00000 -0.00108 0.00003 -0.00105 -0.80813 D67 -2.89938 0.00000 -0.00108 0.00001 -0.00108 -2.90045 D68 1.28494 0.00000 -0.00110 0.00002 -0.00108 1.28386 D69 -2.38035 0.00000 0.00120 0.00004 0.00124 -2.37911 D70 1.80378 0.00000 0.00121 0.00006 0.00127 1.80505 D71 -0.29731 -0.00000 0.00118 0.00004 0.00123 -0.29608 D72 1.01092 -0.00000 -0.00117 0.00004 -0.00113 1.00979 D73 -1.08814 -0.00000 -0.00116 0.00006 -0.00110 -1.08924 D74 3.09396 -0.00001 -0.00119 0.00004 -0.00115 3.09281 D75 -2.38580 0.00001 0.00142 0.00028 0.00170 -2.38409 D76 1.79636 0.00000 0.00141 0.00026 0.00167 1.79803 D77 -0.30426 -0.00000 0.00145 0.00026 0.00170 -0.30256 D78 1.01215 0.00001 0.00078 0.00042 0.00120 1.01335 D79 -1.08888 0.00001 0.00078 0.00039 0.00117 -1.08771 D80 3.09368 0.00000 0.00081 0.00039 0.00120 3.09489 D81 2.75051 0.00000 -0.00027 0.00009 -0.00018 2.75033 D82 0.66525 0.00000 -0.00027 0.00008 -0.00018 0.66507 D83 -1.43597 0.00000 -0.00029 0.00011 -0.00018 -1.43615 D84 -0.64639 -0.00000 0.00037 -0.00004 0.00033 -0.64606 D85 -2.73165 -0.00000 0.00037 -0.00005 0.00032 -2.73132 D86 1.45032 0.00000 0.00035 -0.00002 0.00033 1.45065 Item Value Threshold Converged? Maximum Force 0.000078 0.000450 YES RMS Force 0.000014 0.000300 YES Maximum Displacement 0.010313 0.001800 NO RMS Displacement 0.002297 0.001200 NO Predicted change in Energy=-8.336686D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957848 -4.940662 2.053562 2 6 0 7.185753 -5.229714 3.529742 3 8 0 6.830394 -6.112889 1.298247 4 7 0 2.998186 -0.798532 0.095531 5 6 0 4.230595 -1.386435 0.285317 6 6 0 4.469625 -2.587712 0.956583 7 7 0 3.652367 -3.519784 1.577088 8 6 0 4.455737 -4.413030 2.047984 9 7 0 5.784418 -4.134622 1.804432 10 6 0 5.794281 -2.965294 1.087492 11 7 0 6.841185 -2.309074 0.632331 12 6 0 6.494281 -1.195398 0.013786 13 7 0 5.283366 -0.710580 -0.171720 14 1 0 7.775812 -4.344581 1.674069 15 1 0 8.120472 -5.771387 3.651346 16 1 0 7.263686 -4.301948 4.085392 17 7 0 4.121880 -5.538288 2.758666 18 1 0 6.380191 -5.823950 3.933417 19 1 0 7.622479 -6.625477 1.385059 20 6 0 2.931707 -5.967743 2.611840 21 1 0 7.300791 -0.607054 -0.385783 22 6 0 1.967725 -1.532212 -0.017426 23 1 0 2.006305 -2.609346 -0.002626 24 7 0 0.732610 -1.032253 -0.201200 25 6 0 0.501291 0.396228 -0.164590 26 6 0 -0.427137 -1.887241 -0.124856 27 1 0 -0.307816 0.642703 -0.842745 28 1 0 1.397237 0.911212 -0.468933 29 1 0 0.229246 0.727233 0.834867 30 1 0 -1.113030 -1.661718 -0.934286 31 1 0 -0.957795 -1.759198 0.816038 32 1 0 -0.131549 -2.924422 -0.210778 33 7 0 2.425914 -6.987011 3.315811 34 1 0 2.249271 -5.520413 1.906052 35 6 0 1.178291 -7.605586 2.925900 36 6 0 3.253663 -7.698904 4.268298 37 1 0 0.560310 -7.780327 3.798932 38 1 0 1.343975 -8.556719 2.426629 39 1 0 0.637258 -6.955315 2.252026 40 1 0 2.613497 -8.186239 4.992874 41 1 0 3.901256 -7.002956 4.777087 42 1 0 3.866423 -8.450364 3.778544 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521381 0.000000 3 O 1.400308 2.426078 0.000000 4 N 6.055580 6.997492 6.661436 0.000000 5 C 4.816340 5.833528 5.488565 1.378579 0.000000 6 C 3.595969 4.580249 4.256388 2.471377 1.396710 7 N 3.629342 4.384237 4.111180 3.166729 2.560116 8 C 2.557144 3.211786 3.015066 4.359028 3.509695 9 N 1.445235 2.477834 2.294304 4.670431 3.503513 10 C 2.487822 3.609484 3.320437 3.673826 2.362498 11 N 2.993120 4.128421 3.861680 4.163956 2.790495 12 C 4.289824 5.395905 5.093577 3.519498 2.287904 13 N 5.064520 6.143490 5.808532 2.302435 1.331913 14 H 1.080923 2.138961 2.040091 6.155644 4.821599 15 H 2.143528 1.087151 2.705181 7.975646 6.759372 16 H 2.151703 1.084236 3.351929 6.810830 5.669253 17 N 2.982791 3.174444 3.130341 5.551600 4.833958 18 H 2.155861 1.079352 2.688920 7.170924 6.133590 19 H 1.930604 2.595872 0.947460 7.549851 6.337339 20 C 4.192419 4.414084 4.116594 5.749519 5.299829 21 H 4.984794 6.059171 5.776803 4.333675 3.237888 22 C 6.388103 7.313121 6.808755 1.269999 2.287681 23 H 5.846428 6.794898 6.102370 2.067005 2.554581 24 N 7.688511 8.554628 8.077386 2.296847 3.549371 25 C 8.665433 9.485850 9.195979 2.780216 4.157885 26 C 8.282927 9.082087 8.517809 3.600929 4.702500 27 H 9.610017 10.476522 10.058624 3.726549 5.097754 28 H 8.457411 9.338484 9.054287 2.409332 3.725049 29 H 8.881685 9.546756 9.517203 3.246784 4.558551 30 H 9.209657 10.076107 9.375239 4.325241 5.487944 31 H 8.620358 9.258836 8.935493 4.134222 5.228767 32 H 7.710513 8.535149 7.804622 3.795850 4.651861 33 N 5.130227 5.078378 4.922814 6.999640 6.618701 34 H 4.746426 5.204779 4.659092 5.112242 4.862324 35 C 6.423867 6.488374 6.068250 7.593351 7.413978 36 C 5.121908 4.701457 4.912195 8.067985 7.527669 37 H 7.213772 7.104547 6.953253 8.270664 8.166905 38 H 6.688095 6.812650 6.111165 8.268004 8.020646 39 H 6.636871 6.891520 6.322523 6.937609 6.913207 40 H 6.168201 5.638025 5.977564 8.871875 8.426946 41 H 4.584038 3.935503 4.634048 7.824793 7.199290 42 H 4.985025 4.631679 4.516723 8.536332 7.888875 6 7 8 9 10 6 C 0.000000 7 N 1.386252 0.000000 8 C 2.126767 1.290363 0.000000 9 N 2.200104 2.230550 1.379211 0.000000 10 C 1.383626 2.266045 2.193214 1.371651 0.000000 11 N 2.409788 3.539343 3.481533 2.413132 1.316740 12 C 2.631851 3.990384 4.318192 3.514165 2.185264 13 N 2.336422 3.689189 4.395474 3.985008 2.632563 14 H 3.812119 4.206244 3.341765 2.006671 2.484545 15 H 5.543124 5.416293 4.224475 3.398124 4.456307 16 H 4.531538 4.465982 3.471016 2.723787 3.596276 17 N 3.474814 2.385567 1.372127 2.375894 3.494287 18 H 4.794272 4.278141 3.041229 2.782328 4.076087 19 H 5.140781 5.044204 3.919521 3.123892 4.102169 20 C 4.065670 2.753646 2.248940 3.485713 4.419577 21 H 3.706812 5.064371 5.338821 4.420425 3.162500 22 C 2.884836 3.054658 4.330732 4.965768 4.232860 23 H 2.643576 2.456403 3.668514 4.457136 3.957755 24 N 4.210129 4.227895 5.509097 6.258435 5.569371 25 C 5.090049 5.319574 6.607730 7.233054 6.394004 26 C 5.063441 4.712129 5.911286 6.881590 6.429466 27 H 6.041283 6.234175 7.523841 8.182035 7.347044 28 H 4.869715 5.376387 6.636026 7.062293 6.064961 29 H 5.383724 5.505070 6.764406 7.445644 6.683427 30 H 5.966480 5.698106 6.890197 7.822443 7.314222 31 H 5.492092 4.993241 6.153604 7.216439 6.864320 32 H 4.758876 4.227167 5.325519 6.365871 6.066518 33 N 5.394121 4.068047 3.514675 4.658319 5.699606 34 H 3.798974 2.465647 2.472839 3.798421 4.445871 35 C 6.315865 4.963278 4.658841 5.875516 6.798486 36 C 6.210500 4.986645 4.143880 5.017915 6.243343 37 H 7.094008 5.713986 5.438645 6.675365 7.611236 38 H 6.896359 5.605454 5.195824 6.297587 7.270663 39 H 5.953248 4.620530 4.591908 5.886417 6.623541 40 H 7.147053 5.875597 5.128677 6.052809 7.254492 41 H 5.866318 4.736500 3.803048 4.539860 5.787864 42 H 6.534372 5.403967 4.431952 5.118736 6.406590 11 12 13 14 15 11 N 0.000000 12 C 1.320308 0.000000 13 N 2.372441 1.317488 0.000000 14 H 2.470230 3.783677 4.777571 0.000000 15 H 4.768505 6.067621 6.948149 2.462558 0.000000 16 H 4.009201 5.178863 5.911226 2.465475 1.755485 17 N 4.726917 5.658918 5.765672 3.994059 4.103651 18 H 4.843969 6.066302 6.648438 3.039892 1.763776 19 H 4.450658 5.713053 6.548359 2.304241 2.472555 20 C 5.708619 6.497468 6.396582 5.194171 5.295509 21 H 2.035845 1.075296 2.031389 4.293919 6.606105 22 C 4.977581 4.539178 3.419411 6.671165 8.323869 23 H 4.885632 4.705470 3.791179 6.253763 7.793142 24 N 6.296009 5.767988 4.562206 8.005925 9.585510 25 C 6.938876 6.203308 4.908495 8.875505 10.519162 26 C 7.319821 6.957291 5.830658 8.750029 10.119679 27 H 7.873821 7.097943 5.791629 9.826108 11.505366 28 H 6.420248 5.536306 4.221439 8.538268 10.336137 29 H 7.278593 6.604646 5.350201 9.131167 10.603588 30 H 8.132828 7.680331 6.511533 9.644313 11.098422 31 H 7.820499 7.516310 6.405260 9.148568 10.322382 32 H 7.050426 6.851393 5.850123 8.252021 9.545526 33 N 6.969848 7.810106 7.727968 6.188631 5.832522 34 H 5.746368 6.348743 6.054533 5.655002 6.130256 35 C 8.085906 8.822170 8.601628 7.465153 7.216955 36 C 7.425689 8.420100 8.524678 6.199302 5.270843 37 H 8.911306 9.638498 9.383745 8.269393 7.823917 38 H 8.513043 9.302501 9.155988 7.725088 7.428252 39 H 7.918313 8.514170 8.152152 7.622920 7.704432 40 H 8.451553 9.419324 9.470306 7.240324 6.161005 41 H 6.917711 7.946104 8.123726 5.630974 4.537163 42 H 7.514208 8.585662 8.804350 6.047280 5.028920 16 17 18 19 20 16 H 0.000000 17 N 3.627628 0.000000 18 H 1.766395 2.561564 0.000000 19 H 3.580407 3.914456 2.946159 0.000000 20 C 4.869525 1.273774 3.695846 4.892948 0.000000 21 H 5.800433 6.656583 6.835129 6.281781 7.537348 22 C 7.249260 5.328763 7.314235 7.738511 5.245592 23 H 6.871452 4.547427 6.704997 7.042470 4.355529 24 N 8.468809 6.368069 8.482369 9.015024 6.091656 25 C 9.266348 7.541390 9.489243 10.120131 7.356331 26 C 9.094271 6.506796 8.849122 9.461872 5.951624 27 H 10.298726 8.414096 10.457474 10.985405 8.131830 28 H 9.073816 7.709547 9.464297 9.949502 7.691929 29 H 9.238070 7.623015 9.505426 10.441501 7.435296 30 H 10.116193 7.487988 9.857335 10.311516 6.890338 31 H 9.205814 6.622569 8.949094 9.880564 6.005413 32 H 8.662803 5.808747 8.245263 8.738961 5.158731 33 N 5.586220 2.299023 4.167787 5.555429 1.338025 34 H 5.601655 2.057652 4.611598 5.510350 1.078869 35 C 7.020718 3.600889 5.590087 6.697937 2.419841 36 C 5.258617 2.775077 3.660980 5.343395 2.417526 37 H 7.557542 4.335168 6.141377 7.552132 3.212192 38 H 7.476466 4.115572 5.924686 6.650878 3.042695 39 H 7.369609 3.795687 6.090019 7.046540 2.523739 40 H 6.126622 3.778697 4.570650 6.367276 3.269909 41 H 4.368046 2.503588 2.871751 5.049342 2.588434 42 H 5.370746 3.096062 3.638827 4.813205 2.897983 21 22 23 24 25 21 H 0.000000 22 C 5.425238 0.000000 23 H 5.673409 1.077926 0.000000 24 N 6.584517 1.345080 2.036898 0.000000 25 C 6.876678 2.427131 3.365230 1.447551 0.000000 26 C 7.837591 2.423416 2.541262 1.442860 2.465317 27 H 7.724093 3.254150 4.078821 2.073534 1.084112 28 H 6.096228 2.549438 3.603156 2.071344 1.077290 29 H 7.299113 2.975534 3.871962 2.102998 1.087423 30 H 8.497385 3.216901 3.390610 2.083274 2.726463 31 H 8.424729 3.050385 3.190431 2.102544 2.781443 32 H 7.787201 2.526377 2.170949 2.080185 3.380730 33 N 8.841384 6.408996 5.509269 7.120097 8.386273 34 H 7.410227 4.436754 3.489470 5.185013 6.507660 35 C 9.870750 6.795016 5.850153 7.292880 8.604562 36 C 9.398620 7.619000 6.760200 8.412869 9.631055 37 H 10.695876 7.455491 6.578890 7.846480 9.086751 38 H 10.324267 7.463656 6.458422 7.993550 9.358408 39 H 9.573981 6.027487 5.083817 6.411714 7.739748 40 H 10.408877 8.354412 7.511687 9.038564 10.233259 41 H 8.894922 7.526948 6.763159 8.394817 9.525118 42 H 9.521240 8.116359 7.202416 8.982624 10.253517 26 27 28 29 30 26 C 0.000000 27 H 2.632531 0.000000 28 H 3.358284 1.766080 0.000000 29 H 2.861361 1.763509 1.760098 0.000000 30 H 1.084660 2.442766 3.624632 3.261701 0.000000 31 H 1.087784 2.990512 3.785289 2.755315 1.759896 32 H 1.081896 3.626960 4.137139 3.815512 1.755332 33 N 6.781279 9.109303 8.818412 8.395832 7.677643 34 H 4.948504 7.216550 6.908858 6.652896 5.853385 35 C 6.677124 9.189422 9.171078 8.643436 7.448541 36 C 8.162323 10.411019 10.001089 9.588292 9.087492 37 H 7.148400 9.656410 9.718949 9.015202 7.914594 38 H 7.357231 9.901848 9.900951 9.485152 8.054419 39 H 5.698059 8.258369 8.358435 7.822810 6.421703 40 H 8.666832 10.979013 10.680554 10.120457 9.570141 41 H 8.302685 10.380506 9.819618 9.422345 9.289331 42 H 8.760467 11.021092 10.572467 10.301582 9.648391 31 32 33 34 35 31 H 0.000000 32 H 1.759198 0.000000 33 N 6.710319 5.956683 0.000000 34 H 5.061635 4.109555 2.041943 0.000000 35 C 6.572263 5.785130 1.446109 2.556371 0.000000 36 C 8.058200 7.370038 1.448859 3.366724 2.473440 37 H 6.888853 6.335318 2.084044 3.397469 1.083799 38 H 7.355164 6.391858 2.103621 3.210874 1.086911 39 H 5.621911 4.785871 2.081330 2.185687 1.081515 40 H 8.456177 7.893033 2.070235 4.094845 2.582509 41 H 8.172961 7.601102 2.076587 3.629026 3.347326 42 H 8.764772 7.901551 2.104897 3.834843 2.943927 36 37 38 39 40 36 C 0.000000 37 H 2.735157 0.000000 38 H 2.788279 1.760719 0.000000 39 H 3.385831 1.754846 1.759099 0.000000 40 H 1.082736 2.409531 2.886962 3.596239 0.000000 41 H 1.078233 3.566933 3.805064 4.126970 1.762113 42 H 1.086290 3.373389 2.863866 3.872071 1.764705 41 42 41 H 0.000000 42 H 1.758776 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487905 -2.267228 0.146799 2 6 0 3.469122 -2.134892 -1.008319 3 8 0 3.046745 -1.861688 1.365035 4 7 0 -3.258750 -0.389456 -0.199570 5 6 0 -2.223581 -1.288515 -0.056049 6 6 0 -0.861947 -0.977755 -0.069409 7 7 0 -0.148174 0.204207 -0.192647 8 6 0 1.093322 -0.146199 -0.162008 9 7 0 1.272988 -1.508790 -0.046730 10 6 0 0.012840 -2.045291 0.028243 11 7 0 -0.315754 -3.315201 0.142958 12 6 0 -1.624805 -3.487145 0.148877 13 7 0 -2.566589 -2.571032 0.051130 14 1 0 2.153238 -3.292582 0.217794 15 1 0 4.321533 -2.786819 -0.834295 16 1 0 2.999121 -2.441588 -1.936007 17 7 0 2.189980 0.672556 -0.260572 18 1 0 3.817902 -1.117672 -1.101146 19 1 0 3.805044 -2.397986 1.552245 20 6 0 2.011142 1.896694 0.042749 21 1 0 -1.966629 -4.502500 0.240917 22 6 0 -3.115310 0.799707 0.222583 23 1 0 -2.224754 1.144535 0.722510 24 7 0 -4.077883 1.733103 0.115507 25 6 0 -5.303366 1.451092 -0.601479 26 6 0 -3.801870 3.114954 0.425586 27 1 0 -6.117921 1.999909 -0.142569 28 1 0 -5.508885 0.394564 -0.556068 29 1 0 -5.228648 1.748979 -1.644632 30 1 0 -4.610624 3.536077 1.013003 31 1 0 -3.689469 3.712959 -0.476097 32 1 0 -2.889315 3.192340 1.001566 33 7 0 2.952880 2.835695 -0.104616 34 1 0 1.071106 2.253717 0.433678 35 6 0 2.795755 4.139478 0.500935 36 6 0 4.272789 2.477809 -0.583101 37 1 0 3.088377 4.913171 -0.199345 38 1 0 3.403909 4.238951 1.396273 39 1 0 1.760866 4.300115 0.770893 40 1 0 4.742672 3.357410 -1.004799 41 1 0 4.188888 1.719550 -1.345066 42 1 0 4.896775 2.096536 0.220204 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211649 0.1991332 0.1278696 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3414547638 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.91D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000006 0.000019 -0.000020 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963443 A.U. after 8 cycles NFock= 8 Conv=0.87D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000024418 -0.000018055 -0.000005145 2 6 0.000008498 0.000002279 0.000000862 3 8 0.000018056 0.000006317 0.000009817 4 7 -0.000018011 -0.000009350 -0.000002180 5 6 0.000038718 0.000027091 -0.000038365 6 6 -0.000003866 -0.000011458 0.000006494 7 7 0.000013516 0.000014034 -0.000012441 8 6 0.000003983 0.000019641 -0.000002258 9 7 -0.000008291 0.000022698 -0.000000917 10 6 -0.000022866 -0.000001934 0.000018281 11 7 0.000002351 0.000030129 -0.000013057 12 6 0.000011069 -0.000031861 0.000005036 13 7 -0.000036155 -0.000013513 0.000022172 14 1 0.000005642 -0.000007374 0.000000527 15 1 0.000000517 -0.000001005 0.000002738 16 1 0.000000605 -0.000000331 -0.000001973 17 7 -0.000000755 -0.000028452 0.000000641 18 1 0.000000165 0.000001172 -0.000003355 19 1 0.000004006 -0.000006931 -0.000005100 20 6 0.000004327 -0.000004047 -0.000005087 21 1 -0.000002834 0.000002383 0.000001507 22 6 0.000023862 0.000009492 0.000015674 23 1 -0.000002338 0.000000211 -0.000004421 24 7 -0.000001234 -0.000000210 -0.000012195 25 6 -0.000000156 -0.000000367 0.000006185 26 6 -0.000002735 0.000002668 0.000001341 27 1 0.000001779 -0.000000964 0.000000263 28 1 0.000000669 0.000002277 -0.000000273 29 1 -0.000000867 -0.000000634 -0.000000508 30 1 -0.000001315 -0.000003334 -0.000001077 31 1 -0.000001144 0.000001339 -0.000000639 32 1 -0.000000495 0.000001451 0.000001217 33 7 -0.000021012 0.000013417 0.000012081 34 1 -0.000003431 -0.000002328 0.000006374 35 6 0.000010768 -0.000005354 0.000002706 36 6 0.000004432 -0.000009641 -0.000005428 37 1 -0.000001390 0.000003059 -0.000001348 38 1 -0.000001995 -0.000004022 -0.000000090 39 1 0.000000712 -0.000000472 0.000000260 40 1 0.000000028 0.000000957 -0.000001931 41 1 0.000001179 -0.000000806 0.000002602 42 1 0.000000423 0.000001830 0.000001008 ------------------------------------------------------------------- Cartesian Forces: Max 0.000038718 RMS 0.000011213 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000044470 RMS 0.000007768 Search for a local minimum. Step number 32 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 DE= -1.67D-07 DEPred=-8.34D-08 R= 2.01D+00 Trust test= 2.01D+00 RLast= 8.90D-03 DXMaxT set to 1.67D+00 ITU= 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00045 0.00101 0.00139 0.00246 0.00422 Eigenvalues --- 0.00498 0.00595 0.00787 0.01198 0.01268 Eigenvalues --- 0.01489 0.01904 0.02088 0.02153 0.02301 Eigenvalues --- 0.02445 0.02554 0.02587 0.02619 0.02759 Eigenvalues --- 0.03142 0.03263 0.03434 0.03789 0.04621 Eigenvalues --- 0.05404 0.05533 0.05629 0.05705 0.06424 Eigenvalues --- 0.06650 0.07410 0.07486 0.07576 0.07609 Eigenvalues --- 0.07686 0.07809 0.07954 0.08082 0.08466 Eigenvalues --- 0.15475 0.15774 0.15865 0.15937 0.15983 Eigenvalues --- 0.15992 0.15993 0.16001 0.16003 0.16018 Eigenvalues --- 0.16027 0.16034 0.16057 0.16122 0.16229 Eigenvalues --- 0.16295 0.16774 0.17567 0.18062 0.18976 Eigenvalues --- 0.20755 0.22002 0.22321 0.23065 0.23612 Eigenvalues --- 0.23906 0.24208 0.24454 0.24838 0.24950 Eigenvalues --- 0.25047 0.25627 0.26014 0.26366 0.27572 Eigenvalues --- 0.28809 0.32282 0.32824 0.33021 0.33207 Eigenvalues --- 0.33350 0.33426 0.33541 0.33561 0.33629 Eigenvalues --- 0.33657 0.33684 0.33698 0.33767 0.33786 Eigenvalues --- 0.33883 0.34014 0.34626 0.36052 0.36596 Eigenvalues --- 0.37530 0.39161 0.39740 0.39826 0.40198 Eigenvalues --- 0.40403 0.40697 0.40974 0.41702 0.42857 Eigenvalues --- 0.45396 0.46939 0.47982 0.50506 0.51439 Eigenvalues --- 0.52935 0.54672 0.58441 0.60148 0.62943 Eigenvalues --- 0.66187 0.70876 0.74462 0.75756 0.86315 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 30 29 28 27 26 25 24 23 RFO step: Lambda=-7.96073142D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.04069 0.38818 -0.50588 0.00818 0.06884 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00115568 RMS(Int)= 0.00000048 Iteration 2 RMS(Cart)= 0.00000079 RMS(Int)= 0.00000005 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87499 -0.00000 -0.00000 -0.00000 -0.00000 2.87499 R2 2.64620 -0.00000 -0.00001 -0.00001 -0.00002 2.64618 R3 2.73110 0.00002 0.00002 0.00004 0.00006 2.73115 R4 2.04265 0.00000 -0.00000 0.00000 0.00000 2.04265 R5 2.05442 0.00000 0.00000 0.00000 0.00000 2.05442 R6 2.04891 -0.00000 -0.00000 -0.00000 -0.00000 2.04891 R7 2.03968 -0.00000 0.00000 -0.00000 -0.00000 2.03968 R8 1.79044 0.00001 0.00000 0.00000 0.00000 1.79044 R9 2.60514 0.00000 0.00000 -0.00001 -0.00001 2.60513 R10 2.39995 -0.00002 -0.00001 -0.00003 -0.00004 2.39990 R11 2.63940 0.00002 -0.00003 0.00003 -0.00000 2.63940 R12 2.51695 -0.00004 0.00000 -0.00006 -0.00006 2.51689 R13 2.61964 -0.00000 -0.00001 -0.00001 -0.00002 2.61962 R14 2.61467 -0.00001 0.00002 -0.00002 0.00001 2.61468 R15 2.43843 0.00001 -0.00003 0.00001 -0.00002 2.43841 R16 2.60633 -0.00000 0.00006 0.00000 0.00006 2.60639 R17 2.59295 0.00004 -0.00001 0.00004 0.00003 2.59297 R18 2.59204 -0.00000 -0.00005 -0.00001 -0.00007 2.59198 R19 2.48828 0.00001 0.00001 0.00003 0.00004 2.48832 R20 2.49502 -0.00003 -0.00002 -0.00004 -0.00006 2.49496 R21 2.48969 0.00000 -0.00001 0.00003 0.00002 2.48971 R22 2.03201 -0.00000 0.00000 -0.00000 -0.00000 2.03201 R23 2.40708 0.00001 0.00001 -0.00001 0.00000 2.40709 R24 2.52850 0.00001 -0.00001 0.00002 0.00001 2.52851 R25 2.03877 -0.00000 -0.00000 0.00000 -0.00000 2.03876 R26 2.03698 -0.00000 0.00001 0.00001 0.00002 2.03700 R27 2.54183 0.00001 -0.00001 0.00001 0.00000 2.54183 R28 2.73548 0.00000 -0.00002 -0.00000 -0.00002 2.73546 R29 2.72661 0.00000 -0.00002 0.00001 -0.00002 2.72659 R30 2.04867 -0.00000 0.00001 -0.00000 0.00001 2.04868 R31 2.03578 0.00000 -0.00000 0.00000 -0.00000 2.03578 R32 2.05493 -0.00000 -0.00000 0.00000 0.00000 2.05493 R33 2.04971 0.00000 0.00001 0.00000 0.00001 2.04972 R34 2.05561 0.00000 -0.00000 0.00000 -0.00000 2.05561 R35 2.04449 -0.00000 0.00000 -0.00000 -0.00000 2.04448 R36 2.73275 -0.00000 0.00001 -0.00001 0.00000 2.73275 R37 2.73795 0.00000 0.00000 0.00001 0.00001 2.73796 R38 2.04808 -0.00000 0.00000 -0.00000 0.00000 2.04808 R39 2.05396 0.00000 -0.00000 0.00000 0.00000 2.05397 R40 2.04377 -0.00000 -0.00000 0.00000 -0.00000 2.04377 R41 2.04607 -0.00000 0.00000 -0.00001 -0.00000 2.04607 R42 2.03757 0.00000 -0.00000 0.00000 0.00000 2.03757 R43 2.05279 -0.00000 -0.00000 -0.00000 -0.00000 2.05279 A1 1.95838 -0.00000 0.00001 0.00002 0.00002 1.95841 A2 1.97670 -0.00000 -0.00002 -0.00000 -0.00003 1.97668 A3 1.90929 -0.00000 -0.00000 -0.00004 -0.00005 1.90924 A4 1.87549 0.00001 0.00002 0.00009 0.00011 1.87560 A5 1.91893 -0.00001 -0.00002 -0.00005 -0.00007 1.91886 A6 1.81969 0.00000 0.00002 -0.00001 0.00001 1.81970 A7 1.90921 0.00001 0.00003 0.00002 0.00005 1.90926 A8 1.92351 -0.00000 -0.00002 -0.00001 -0.00003 1.92349 A9 1.93444 -0.00000 -0.00001 -0.00002 -0.00003 1.93441 A10 1.88307 -0.00000 0.00000 0.00000 0.00001 1.88307 A11 1.90239 -0.00000 -0.00001 -0.00000 -0.00001 1.90238 A12 1.91036 0.00000 0.00000 0.00001 0.00001 1.91037 A13 1.90432 0.00001 0.00001 0.00004 0.00005 1.90437 A14 2.08431 0.00002 -0.00002 0.00000 -0.00002 2.08429 A15 2.19684 0.00001 -0.00008 -0.00002 -0.00010 2.19674 A16 2.02971 -0.00001 0.00005 0.00000 0.00005 2.02977 A17 2.05565 0.00000 0.00002 0.00002 0.00004 2.05568 A18 2.33577 0.00001 -0.00000 0.00002 0.00002 2.33579 A19 2.03088 -0.00001 0.00002 -0.00002 -0.00000 2.03088 A20 1.91621 -0.00001 -0.00001 -0.00000 -0.00002 1.91619 A21 1.83563 0.00001 0.00002 0.00000 0.00002 1.83565 A22 1.97752 -0.00001 -0.00001 -0.00001 -0.00002 1.97750 A23 2.22085 0.00003 0.00006 0.00005 0.00011 2.22096 A24 2.08450 -0.00002 -0.00005 -0.00004 -0.00009 2.08441 A25 2.26420 -0.00000 -0.00001 0.00000 -0.00001 2.26419 A26 2.16484 0.00000 0.00002 0.00001 0.00002 2.16487 A27 1.84555 0.00000 -0.00000 -0.00000 -0.00001 1.84555 A28 1.84960 0.00001 0.00001 0.00001 0.00003 1.84963 A29 2.20493 -0.00000 -0.00005 0.00000 -0.00004 2.20489 A30 2.22844 -0.00001 0.00003 -0.00001 0.00002 2.22846 A31 1.95348 -0.00000 0.00002 0.00000 0.00002 1.95350 A32 2.23680 0.00000 0.00002 0.00000 0.00002 2.23682 A33 2.02476 0.00000 0.00000 0.00002 0.00002 2.02478 A34 2.02161 -0.00000 -0.00002 -0.00002 -0.00004 2.02157 A35 2.08454 0.00001 -0.00003 -0.00000 -0.00003 2.08451 A36 2.03100 0.00004 0.00001 0.00008 0.00008 2.03109 A37 2.15243 -0.00001 0.00001 -0.00003 -0.00002 2.15241 A38 2.12545 0.00001 -0.00001 0.00004 0.00003 2.12548 A39 2.00526 -0.00000 0.00000 -0.00001 -0.00001 2.00525 A40 2.14959 0.00001 -0.00004 0.00002 -0.00001 2.14958 A41 2.14418 -0.00001 0.00007 -0.00003 0.00004 2.14422 A42 1.98905 0.00000 -0.00003 0.00000 -0.00003 1.98902 A43 2.10607 -0.00000 0.00010 -0.00003 0.00008 2.10615 A44 2.10666 0.00001 0.00006 0.00001 0.00007 2.10673 A45 2.04314 -0.00000 0.00005 -0.00004 0.00001 2.04315 A46 1.90477 -0.00000 0.00006 -0.00002 0.00004 1.90481 A47 1.90889 0.00000 -0.00002 0.00001 -0.00001 1.90889 A48 1.94293 -0.00000 -0.00003 0.00001 -0.00002 1.94291 A49 1.91272 -0.00000 -0.00001 -0.00000 -0.00001 1.91270 A50 1.89549 0.00000 -0.00002 0.00000 -0.00002 1.89547 A51 1.89885 -0.00000 0.00003 0.00000 0.00003 1.89888 A52 1.92366 0.00000 0.00000 0.00002 0.00003 1.92369 A53 1.94779 -0.00000 0.00001 -0.00001 -0.00000 1.94779 A54 1.92226 -0.00000 0.00000 0.00000 0.00000 1.92226 A55 1.88864 -0.00000 -0.00001 -0.00000 -0.00001 1.88863 A56 1.88897 -0.00000 -0.00001 -0.00000 -0.00001 1.88895 A57 1.89106 0.00000 0.00001 -0.00001 0.00000 1.89107 A58 2.10612 0.00001 0.00003 -0.00001 0.00001 2.10613 A59 2.09926 -0.00000 0.00003 -0.00003 0.00000 2.09926 A60 2.04876 -0.00001 0.00001 -0.00003 -0.00002 2.04874 A61 1.92166 -0.00000 0.00001 0.00001 0.00001 1.92167 A62 1.94621 0.00000 -0.00000 -0.00000 -0.00001 1.94620 A63 1.92027 -0.00000 -0.00001 0.00001 0.00000 1.92027 A64 1.89215 -0.00000 0.00000 0.00000 0.00000 1.89215 A65 1.88979 -0.00000 -0.00000 -0.00001 -0.00001 1.88977 A66 1.89251 -0.00000 0.00000 -0.00000 0.00000 1.89251 A67 1.90002 -0.00000 0.00000 -0.00001 -0.00001 1.90001 A68 1.91368 0.00000 0.00000 0.00003 0.00003 1.91370 A69 1.94526 0.00000 -0.00001 0.00000 -0.00000 1.94526 A70 1.90693 -0.00000 0.00000 -0.00001 -0.00001 1.90692 A71 1.90061 0.00000 0.00000 0.00000 0.00000 1.90061 A72 1.89700 -0.00000 0.00000 -0.00001 -0.00001 1.89700 D1 1.08988 -0.00001 -0.00011 -0.00015 -0.00026 1.08962 D2 -3.12570 -0.00001 -0.00010 -0.00014 -0.00024 -3.12594 D3 -1.00823 -0.00001 -0.00011 -0.00015 -0.00026 -1.00849 D4 -3.06609 0.00000 -0.00010 -0.00002 -0.00012 -3.06621 D5 -0.99849 0.00001 -0.00009 -0.00001 -0.00009 -0.99859 D6 1.11898 0.00000 -0.00010 -0.00002 -0.00012 1.11886 D7 -1.04466 0.00000 -0.00009 -0.00006 -0.00015 -1.04481 D8 1.02294 0.00000 -0.00008 -0.00005 -0.00013 1.02282 D9 3.14042 0.00000 -0.00009 -0.00006 -0.00015 3.14026 D10 -1.04289 0.00000 -0.00002 -0.00006 -0.00008 -1.04297 D11 3.05633 0.00000 -0.00001 -0.00014 -0.00014 3.05619 D12 1.08617 -0.00001 -0.00003 -0.00015 -0.00017 1.08599 D13 -1.10436 -0.00000 -0.00003 -0.00016 -0.00019 -1.10455 D14 2.19835 -0.00000 -0.00004 -0.00021 -0.00025 2.19810 D15 1.06857 0.00000 -0.00003 -0.00007 -0.00010 1.06847 D16 -1.91190 -0.00000 -0.00004 -0.00012 -0.00016 -1.91206 D17 3.10491 0.00000 -0.00003 -0.00010 -0.00013 3.10479 D18 0.12444 -0.00000 -0.00004 -0.00015 -0.00019 0.12425 D19 -0.54633 -0.00000 -0.00064 -0.00005 -0.00069 -0.54701 D20 2.64440 0.00000 -0.00057 0.00004 -0.00053 2.64387 D21 -0.03365 -0.00000 -0.00009 -0.00004 -0.00012 -0.03377 D22 3.13888 0.00000 -0.00016 0.00013 -0.00003 3.13885 D23 0.02151 0.00000 0.00001 0.00006 0.00007 0.02158 D24 -3.08939 0.00000 0.00002 0.00007 0.00008 -3.08931 D25 3.11331 -0.00000 -0.00005 -0.00003 -0.00009 3.11322 D26 0.00241 -0.00000 -0.00005 -0.00003 -0.00008 0.00234 D27 3.10483 -0.00000 -0.00001 -0.00003 -0.00003 3.10480 D28 0.00823 0.00000 0.00006 0.00006 0.00011 0.00835 D29 -3.11809 -0.00000 -0.00004 0.00000 -0.00004 -3.11812 D30 -0.00572 -0.00000 -0.00004 -0.00000 -0.00005 -0.00577 D31 3.11005 0.00000 0.00002 0.00006 0.00008 3.11013 D32 -0.01063 -0.00000 0.00002 -0.00000 0.00002 -0.01061 D33 -0.00802 0.00000 0.00002 0.00007 0.00009 -0.00792 D34 -3.12869 0.00000 0.00003 -0.00000 0.00003 -3.12866 D35 0.01785 0.00000 0.00005 -0.00006 -0.00002 0.01783 D36 3.13180 -0.00000 -0.00004 -0.00002 -0.00007 3.13173 D37 -3.02619 0.00000 -0.00004 0.00006 0.00002 -3.02617 D38 -0.02317 0.00000 -0.00003 0.00011 0.00007 -0.02309 D39 0.14067 0.00000 0.00004 0.00002 0.00006 0.14073 D40 -3.13949 0.00000 0.00005 0.00007 0.00012 -3.13938 D41 0.39173 -0.00001 -0.00043 -0.00044 -0.00087 0.39086 D42 -2.77902 -0.00001 -0.00052 -0.00040 -0.00092 -2.77994 D43 3.03076 -0.00000 0.00001 -0.00006 -0.00005 3.03071 D44 -0.13212 0.00000 0.00000 0.00001 0.00002 -0.13211 D45 0.01771 -0.00000 0.00000 -0.00010 -0.00010 0.01761 D46 3.13801 -0.00000 -0.00000 -0.00003 -0.00003 3.13798 D47 0.00673 0.00000 -0.00000 0.00001 0.00000 0.00673 D48 -3.10945 -0.00000 0.00000 -0.00008 -0.00008 -3.10953 D49 0.00580 0.00000 0.00001 0.00003 0.00004 0.00583 D50 -3.14064 -0.00000 -0.00001 -0.00005 -0.00006 -3.14070 D51 -0.01353 -0.00000 -0.00004 -0.00006 -0.00010 -0.01363 D52 3.13291 0.00000 -0.00002 0.00001 -0.00001 3.13290 D53 -3.04566 0.00000 -0.00015 0.00013 -0.00002 -3.04568 D54 0.08554 -0.00000 -0.00004 -0.00010 -0.00014 0.08541 D55 -2.92039 -0.00000 -0.00019 0.00005 -0.00014 -2.92054 D56 -0.04204 -0.00001 0.00008 -0.00027 -0.00019 -0.04223 D57 0.23094 0.00000 -0.00030 0.00026 -0.00004 0.23090 D58 3.10930 -0.00000 -0.00003 -0.00006 -0.00008 3.10921 D59 -0.09389 -0.00001 0.00030 -0.00020 0.00010 -0.09379 D60 -2.97925 -0.00000 -0.00069 0.00005 -0.00064 -2.97989 D61 3.07604 0.00000 0.00024 -0.00005 0.00018 3.07622 D62 0.19067 0.00000 -0.00076 0.00021 -0.00055 0.19012 D63 2.58067 -0.00000 -0.00142 0.00010 -0.00132 2.57935 D64 0.48835 0.00000 -0.00143 0.00011 -0.00132 0.48703 D65 -1.61052 -0.00000 -0.00143 0.00009 -0.00134 -1.61186 D66 -0.80813 -0.00000 -0.00046 -0.00014 -0.00061 -0.80874 D67 -2.90045 -0.00000 -0.00047 -0.00013 -0.00061 -2.90106 D68 1.28386 -0.00000 -0.00048 -0.00015 -0.00062 1.28324 D69 -2.37911 0.00000 0.00042 0.00014 0.00056 -2.37855 D70 1.80505 0.00000 0.00042 0.00014 0.00056 1.80561 D71 -0.29608 0.00000 0.00040 0.00015 0.00056 -0.29553 D72 1.00979 0.00000 -0.00055 0.00039 -0.00016 1.00963 D73 -1.08924 0.00000 -0.00054 0.00039 -0.00016 -1.08940 D74 3.09281 0.00000 -0.00056 0.00040 -0.00016 3.09265 D75 -2.38409 0.00000 0.00048 -0.00005 0.00043 -2.38366 D76 1.79803 -0.00000 0.00047 -0.00005 0.00042 1.79845 D77 -0.30256 -0.00000 0.00047 -0.00005 0.00042 -0.30213 D78 1.01335 0.00001 0.00021 0.00026 0.00047 1.01382 D79 -1.08771 0.00000 0.00020 0.00026 0.00046 -1.08725 D80 3.09489 0.00000 0.00021 0.00026 0.00046 3.09535 D81 2.75033 0.00000 -0.00012 0.00024 0.00011 2.75044 D82 0.66507 0.00000 -0.00013 0.00024 0.00012 0.66518 D83 -1.43615 0.00000 -0.00013 0.00024 0.00011 -1.43604 D84 -0.64606 -0.00000 0.00014 -0.00006 0.00008 -0.64599 D85 -2.73132 -0.00000 0.00014 -0.00006 0.00008 -2.73125 D86 1.45065 -0.00000 0.00014 -0.00007 0.00007 1.45072 Item Value Threshold Converged? Maximum Force 0.000044 0.000450 YES RMS Force 0.000008 0.000300 YES Maximum Displacement 0.004954 0.001800 NO RMS Displacement 0.001156 0.001200 YES Predicted change in Energy=-3.751310D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957815 -4.940820 2.053283 2 6 0 7.185825 -5.229915 3.529436 3 8 0 6.830407 -6.113001 1.297903 4 7 0 2.998174 -0.798353 0.096032 5 6 0 4.230616 -1.386228 0.285650 6 6 0 4.469604 -2.587611 0.956737 7 7 0 3.652337 -3.519785 1.577056 8 6 0 4.455667 -4.413128 2.047805 9 7 0 5.784382 -4.134686 1.804297 10 6 0 5.794257 -2.965214 1.087661 11 7 0 6.841168 -2.308858 0.632654 12 6 0 6.494280 -1.195104 0.014312 13 7 0 5.283366 -0.710235 -0.171144 14 1 0 7.775788 -4.344751 1.673789 15 1 0 8.120457 -5.771755 3.650996 16 1 0 7.263952 -4.302152 4.085060 17 7 0 4.121917 -5.538520 2.758354 18 1 0 6.380186 -5.824011 3.933164 19 1 0 7.622547 -6.625533 1.384554 20 6 0 2.931474 -5.967520 2.612384 21 1 0 7.300786 -0.606629 -0.385068 22 6 0 1.967873 -1.532092 -0.017728 23 1 0 2.006647 -2.609240 -0.003858 24 7 0 0.732696 -1.032238 -0.201374 25 6 0 0.500994 0.396146 -0.163827 26 6 0 -0.426890 -1.887582 -0.126749 27 1 0 -0.307161 0.643084 -0.842957 28 1 0 1.397277 0.911601 -0.466373 29 1 0 0.227369 0.726164 0.835526 30 1 0 -1.112216 -1.661495 -0.936508 31 1 0 -0.958327 -1.760542 0.813840 32 1 0 -0.130978 -2.924609 -0.213399 33 7 0 2.425960 -6.986873 3.316438 34 1 0 2.248535 -5.519667 1.907419 35 6 0 1.177713 -7.604809 2.927507 36 6 0 3.254371 -7.699519 4.267796 37 1 0 0.560329 -7.779267 3.801019 38 1 0 1.342524 -8.556009 2.428073 39 1 0 0.636467 -6.954246 2.254087 40 1 0 2.614717 -8.186979 4.992736 41 1 0 3.902699 -7.004063 4.776324 42 1 0 3.866398 -8.450955 3.777093 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521378 0.000000 3 O 1.400299 2.426088 0.000000 4 N 6.055545 6.997388 6.661530 0.000000 5 C 4.816354 5.833467 5.488711 1.378574 0.000000 6 C 3.595998 4.580219 4.256543 2.471308 1.396708 7 N 3.629368 4.384275 4.111304 3.166632 2.560118 8 C 2.557192 3.211874 3.015180 4.358934 3.509695 9 N 1.445265 2.477836 2.294413 4.670359 3.503498 10 C 2.487833 3.609376 3.320598 3.673785 2.362497 11 N 2.993162 4.128282 3.861887 4.163916 2.790455 12 C 4.289832 5.395742 5.093750 3.519496 2.287866 13 N 5.064555 6.143383 5.808727 2.302444 1.331882 14 H 1.080923 2.138925 2.040035 6.155636 4.821621 15 H 2.143565 1.087154 2.705129 7.975605 6.759383 16 H 2.151682 1.084235 3.351921 6.810713 5.669149 17 N 2.982732 3.174482 3.130314 5.551571 4.834005 18 H 2.155837 1.079352 2.689018 7.170693 6.133427 19 H 1.930628 2.595957 0.947462 7.549911 6.337437 20 C 4.192628 4.414131 4.117123 5.749501 5.299971 21 H 4.984817 6.058988 5.777004 4.333669 3.237836 22 C 6.388117 7.313227 6.808806 1.269975 2.287645 23 H 5.846552 6.795292 6.102424 2.066982 2.554527 24 N 7.688472 8.554666 8.077379 2.296855 3.549358 25 C 8.665410 9.485765 9.196038 2.780335 4.158000 26 C 8.283035 9.082527 8.517755 3.600987 4.702530 27 H 9.609790 10.476391 10.058470 3.726214 5.097379 28 H 8.456896 9.337666 9.054093 2.408965 3.724697 29 H 8.882373 9.547363 9.517776 3.247824 4.559665 30 H 9.209681 10.076496 9.375167 4.325096 5.487740 31 H 8.620655 9.259493 8.935468 4.134604 5.229170 32 H 7.710639 8.535740 7.804535 3.795827 4.651792 33 N 5.130263 5.078246 4.923138 6.999731 6.618888 34 H 4.746963 5.204972 4.660162 5.112132 4.862519 35 C 6.424226 6.488440 6.069106 7.593364 7.414201 36 C 5.121522 4.701111 4.911755 8.068169 7.527827 37 H 7.213819 7.104234 6.953841 8.270621 8.166992 38 H 6.688912 6.813227 6.112482 8.268060 8.021022 39 H 6.637292 6.891583 6.323518 6.937571 6.913427 40 H 6.167693 5.637420 5.977058 8.872235 8.427218 41 H 4.583193 3.934622 4.633021 7.825224 7.199566 42 H 4.984919 4.631956 4.516388 8.536178 7.888801 6 7 8 9 10 6 C 0.000000 7 N 1.386243 0.000000 8 C 2.126766 1.290350 0.000000 9 N 2.200101 2.230551 1.379242 0.000000 10 C 1.383630 2.266027 2.193206 1.371616 0.000000 11 N 2.409782 3.539333 3.481554 2.413129 1.316760 12 C 2.631835 3.990357 4.318184 3.514135 2.185268 13 N 2.336422 3.689178 4.395479 3.985004 2.632590 14 H 3.812159 4.206277 3.341820 2.006703 2.484579 15 H 5.543151 5.416335 4.224543 3.398166 4.456294 16 H 4.531494 4.466087 3.471193 2.723793 3.596082 17 N 3.474848 2.385635 1.372143 2.375871 3.494258 18 H 4.794135 4.278067 3.041207 2.782243 4.075895 19 H 5.140904 5.044333 3.919664 3.123996 4.102283 20 C 4.065808 2.753716 2.249011 3.485882 4.419745 21 H 3.706794 5.064345 5.338821 4.420406 3.162512 22 C 2.884850 3.054780 4.330810 4.965785 4.232841 23 H 2.643741 2.456966 3.668929 4.457320 3.957793 24 N 4.210093 4.227885 5.509059 6.258389 5.569327 25 C 5.090023 5.319414 6.607562 7.232990 6.394028 26 C 5.063559 4.712445 5.911551 6.881738 6.429522 27 H 6.041007 6.234065 7.523716 8.181805 7.346727 28 H 4.869181 5.375694 6.635328 7.061703 6.064499 29 H 5.384455 5.505303 6.764647 7.446259 6.684316 30 H 5.966471 5.698440 6.890496 7.822516 7.314117 31 H 5.492439 4.993562 6.153878 7.216765 6.864663 32 H 4.759006 4.227700 5.325979 6.366072 6.066533 33 N 5.394272 4.068187 3.514727 4.658383 5.699703 34 H 3.799197 2.465629 2.472968 3.798819 4.446277 35 C 6.316071 4.963356 4.658937 5.875777 6.798776 36 C 6.210597 4.986846 4.143892 5.017750 6.243231 37 H 7.094058 5.713992 5.438594 6.675372 7.611269 38 H 6.896755 5.605623 5.196126 6.298198 7.271287 39 H 5.953449 4.620537 4.591963 5.886702 6.623876 40 H 7.147225 5.875902 5.128711 6.052603 7.254373 41 H 5.866487 4.736896 3.803095 4.539493 5.787618 42 H 6.534299 5.403926 4.431898 5.118668 6.406484 11 12 13 14 15 11 N 0.000000 12 C 1.320274 0.000000 13 N 2.372432 1.317500 0.000000 14 H 2.470291 3.783702 4.777620 0.000000 15 H 4.768503 6.067590 6.948153 2.462617 0.000000 16 H 4.008875 5.178525 5.910995 2.465364 1.755490 17 N 4.726906 5.658898 5.765696 3.994013 4.103600 18 H 4.843777 6.066069 6.648238 3.039851 1.763772 19 H 4.450797 5.713152 6.548490 2.304150 2.472571 20 C 5.708839 6.497655 6.396755 5.194393 5.295525 21 H 2.035827 1.075295 2.031375 4.293958 6.606073 22 C 4.977486 4.539048 3.419281 6.671144 8.323975 23 H 4.885486 4.705206 3.790922 6.253758 7.793467 24 N 6.295934 5.767920 4.562148 8.005880 9.585550 25 C 6.938965 6.203490 4.908687 8.875560 10.519130 26 C 7.319756 6.957156 5.830534 8.750059 10.120044 27 H 7.873372 7.097425 5.791095 9.825811 11.505238 28 H 6.419904 5.536128 4.221279 8.537853 10.335430 29 H 7.279756 6.606045 5.351609 9.132113 10.604275 30 H 8.132507 7.679867 6.511078 9.644176 11.098724 31 H 7.820843 7.516669 6.405627 9.148902 10.322964 32 H 7.050232 6.851065 5.849817 8.251984 9.545992 33 N 6.969977 7.810240 7.728142 6.188680 5.832300 34 H 5.746877 6.349177 6.054854 5.655576 6.130504 35 C 8.086295 8.822523 8.601929 7.465546 7.217009 36 C 7.425537 8.420009 8.524735 6.198916 5.270247 37 H 8.911388 9.638574 9.383835 8.269453 7.823563 38 H 8.513842 9.303212 9.156546 7.725964 7.428861 39 H 7.918774 8.514592 8.152490 7.623393 7.704527 40 H 8.451362 9.419237 9.470430 7.239806 6.160093 41 H 6.917337 7.945882 8.123789 5.630141 4.535904 42 H 7.514127 8.585549 8.804267 6.047158 5.029018 16 17 18 19 20 16 H 0.000000 17 N 3.627828 0.000000 18 H 1.766400 2.561536 0.000000 19 H 3.580422 3.914504 2.946407 0.000000 20 C 4.869557 1.273775 3.695764 4.893538 0.000000 21 H 5.800025 6.656565 6.834889 6.281903 7.537557 22 C 7.249452 5.328977 7.314276 7.738532 5.245859 23 H 6.872005 4.548061 6.705427 7.042488 4.356383 24 N 8.468952 6.368153 8.482313 9.014997 6.091704 25 C 9.266318 7.541252 9.488972 10.120177 7.356006 26 C 9.094972 6.507288 8.849556 9.461800 5.952088 27 H 10.298662 8.414177 10.457306 10.985211 8.131926 28 H 9.072852 7.708864 9.463286 9.949287 7.691216 29 H 9.238881 7.623059 9.505646 10.442104 7.434703 30 H 10.116788 7.488622 9.857806 10.311406 6.891147 31 H 9.206873 6.622924 8.949622 9.880549 6.005329 32 H 8.663681 5.809558 8.245955 8.738847 5.159745 33 N 5.586114 2.299011 4.167553 5.555831 1.338027 34 H 5.601684 2.057670 4.611595 5.511473 1.078867 35 C 7.020668 3.600903 5.590019 6.698923 2.419855 36 C 5.258539 2.775063 3.660632 5.342985 2.417535 37 H 7.557086 4.335090 6.140946 7.552836 3.212103 38 H 7.476912 4.115744 5.925129 6.652395 3.042862 39 H 7.369506 3.795646 6.089913 7.047656 2.523700 40 H 6.126267 3.778684 4.570018 6.366746 3.269925 41 H 4.367630 2.503613 2.870781 5.048233 2.588500 42 H 5.371292 3.096029 3.639274 4.813010 2.897944 21 22 23 24 25 21 H 0.000000 22 C 5.425070 0.000000 23 H 5.673066 1.077934 0.000000 24 N 6.584428 1.345080 2.036884 0.000000 25 C 6.876895 2.427176 3.365253 1.447542 0.000000 26 C 7.837381 2.423457 2.541258 1.442851 2.465310 27 H 7.723490 3.253947 4.078652 2.073556 1.084116 28 H 6.096151 2.549215 3.602994 2.071328 1.077289 29 H 7.300644 2.976091 3.872378 2.102972 1.087423 30 H 8.496790 3.216807 3.390481 2.083287 2.726420 31 H 8.425072 3.050629 3.190609 2.102532 2.781501 32 H 7.786760 2.526374 2.170900 2.080179 3.380719 33 N 8.841526 6.409457 5.510342 7.120381 8.386103 34 H 7.410714 4.436858 3.490283 5.184765 6.506981 35 C 9.871155 6.795341 5.851132 7.292916 8.604045 36 C 9.398495 7.619577 6.761272 8.413380 9.631208 37 H 10.695972 7.455950 6.580130 7.846735 9.086303 38 H 10.325081 7.463806 6.459056 7.993310 9.357734 39 H 9.574473 6.027731 5.084761 6.411609 7.739052 40 H 10.408733 8.355278 7.513114 9.039419 10.233670 41 H 8.894612 7.527878 6.764586 8.395777 9.525743 42 H 9.521137 8.116386 7.202771 8.982519 10.253194 26 27 28 29 30 26 C 0.000000 27 H 2.632785 0.000000 28 H 3.358325 1.766075 0.000000 29 H 2.861065 1.763499 1.760117 0.000000 30 H 1.084664 2.442939 3.624831 3.261212 0.000000 31 H 1.087783 2.991055 3.785255 2.755004 1.759889 32 H 1.081895 3.627094 4.137156 3.815337 1.755326 33 N 6.782113 9.109707 8.817808 8.395217 7.678925 34 H 4.948513 7.216345 6.908019 6.651651 5.853892 35 C 6.677568 9.189613 9.170380 8.642028 7.449656 36 C 8.163475 10.411692 10.000628 9.588293 9.088983 37 H 7.149400 9.656865 9.718142 9.013732 7.916357 38 H 7.357027 9.901737 9.900325 9.483591 8.054841 39 H 5.698262 8.258422 8.357708 7.821021 6.422694 40 H 8.668501 10.980104 10.680271 10.120570 9.572247 41 H 8.304447 10.381622 9.819406 9.423075 9.291332 42 H 8.760717 11.021116 10.571708 10.301206 9.648907 31 32 33 34 35 31 H 0.000000 32 H 1.759198 0.000000 33 N 6.710509 5.958161 0.000000 34 H 5.060721 4.110265 2.041938 0.000000 35 C 6.571584 5.786384 1.446110 2.556376 0.000000 36 C 8.059038 7.371667 1.448866 3.366726 2.473430 37 H 6.888730 6.337284 2.084055 3.397286 1.083800 38 H 7.353777 6.392280 2.103619 3.211122 1.086912 39 H 5.620698 4.787007 2.081332 2.185626 1.081515 40 H 8.457477 7.895266 2.070232 4.094854 2.582455 41 H 8.174678 7.603278 2.076612 3.629091 3.347322 42 H 8.764728 7.902123 2.104899 3.834790 2.943941 36 37 38 39 40 36 C 0.000000 37 H 2.735343 0.000000 38 H 2.788067 1.760721 0.000000 39 H 3.385835 1.754838 1.759099 0.000000 40 H 1.082734 2.409756 2.886548 3.596290 0.000000 41 H 1.078234 3.567014 3.804907 4.127036 1.762107 42 H 1.086288 3.373697 2.863710 3.871969 1.764703 41 42 41 H 0.000000 42 H 1.758771 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487908 -2.267166 0.147219 2 6 0 3.469201 -2.134912 -1.007841 3 8 0 3.046681 -1.861686 1.365495 4 7 0 -3.258675 -0.389451 -0.200072 5 6 0 -2.223584 -1.288569 -0.056400 6 6 0 -0.861962 -0.977752 -0.069537 7 7 0 -0.148201 0.204230 -0.192560 8 6 0 1.093293 -0.146121 -0.161730 9 7 0 1.272975 -1.508745 -0.046499 10 6 0 0.012854 -2.045267 0.028125 11 7 0 -0.315770 -3.315208 0.142642 12 6 0 -1.624785 -3.487172 0.148330 13 7 0 -2.566595 -2.571077 0.050501 14 1 0 2.153260 -3.292526 0.218222 15 1 0 4.321695 -2.786700 -0.833688 16 1 0 2.999277 -2.441798 -1.935505 17 7 0 2.190036 0.672571 -0.260102 18 1 0 3.817855 -1.117660 -1.100783 19 1 0 3.804888 -2.398074 1.552834 20 6 0 2.011096 1.896938 0.042237 21 1 0 -1.966625 -4.502541 0.240142 22 6 0 -3.115498 0.799456 0.222817 23 1 0 -2.225280 1.143968 0.723583 24 7 0 -4.077959 1.732960 0.115662 25 6 0 -5.303082 1.451476 -0.602125 26 6 0 -3.802380 3.114510 0.427423 27 1 0 -6.118088 1.999088 -0.142567 28 1 0 -5.508039 0.394764 -0.558508 29 1 0 -5.228214 1.751146 -1.644757 30 1 0 -4.611527 3.534855 1.014864 31 1 0 -3.689601 3.713532 -0.473536 32 1 0 -2.890158 3.191434 1.003990 33 7 0 2.953041 2.835731 -0.105146 34 1 0 1.070803 2.254369 0.432168 35 6 0 2.795580 4.140027 0.499216 36 6 0 4.273317 2.477323 -0.582248 37 1 0 3.088421 4.913147 -0.201606 38 1 0 3.403366 4.240310 1.394715 39 1 0 1.760572 4.300824 0.768617 40 1 0 4.743660 3.356558 -1.004191 41 1 0 4.189995 1.718513 -1.343728 42 1 0 4.896569 2.096571 0.221871 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211620 0.1991254 0.1278658 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3289665748 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.91D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000001 0.000010 -0.000004 Ang= -0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963447 A.U. after 8 cycles NFock= 8 Conv=0.43D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000001337 -0.000003278 -0.000002668 2 6 -0.000000075 -0.000001853 0.000003245 3 8 -0.000007289 0.000005475 0.000004767 4 7 -0.000002081 0.000003476 -0.000004146 5 6 0.000017153 0.000027236 -0.000008766 6 6 0.000014960 -0.000020453 0.000012585 7 7 -0.000006537 0.000010043 -0.000013318 8 6 0.000029658 0.000010064 0.000003678 9 7 -0.000012626 -0.000018353 0.000010655 10 6 -0.000018091 0.000018453 -0.000014288 11 7 0.000004348 -0.000000734 -0.000001335 12 6 0.000008549 0.000001080 0.000001836 13 7 -0.000022888 -0.000014719 0.000007582 14 1 0.000000898 0.000001279 0.000000719 15 1 -0.000000552 0.000001541 -0.000001803 16 1 -0.000000079 -0.000000539 0.000000137 17 7 -0.000000259 -0.000021373 -0.000003669 18 1 0.000001650 0.000000680 -0.000000107 19 1 0.000002888 0.000001557 -0.000000496 20 6 -0.000000230 0.000006263 0.000001729 21 1 0.000000169 -0.000000413 -0.000000362 22 6 0.000001492 -0.000006694 0.000001621 23 1 -0.000001961 0.000002436 -0.000000858 24 7 0.000002840 -0.000001258 -0.000013681 25 6 -0.000002665 0.000003323 0.000006643 26 6 -0.000003426 0.000001081 0.000003884 27 1 0.000000221 -0.000000413 0.000000416 28 1 -0.000000405 0.000000465 -0.000000060 29 1 -0.000000495 -0.000001076 -0.000000212 30 1 0.000000210 -0.000001895 -0.000001344 31 1 -0.000000303 0.000002493 -0.000000525 32 1 -0.000000193 0.000000465 0.000002374 33 7 -0.000013582 0.000006177 0.000004856 34 1 -0.000001116 -0.000001643 0.000001488 35 6 0.000009028 -0.000002696 0.000003974 36 6 0.000001195 -0.000006312 -0.000003843 37 1 -0.000001116 0.000000618 0.000000163 38 1 -0.000000718 -0.000001931 -0.000000398 39 1 0.000001128 -0.000000280 -0.000000199 40 1 -0.000000768 -0.000000008 -0.000000944 41 1 -0.000000893 0.000000271 0.000000803 42 1 0.000000623 0.000001448 -0.000000135 ------------------------------------------------------------------- Cartesian Forces: Max 0.000029658 RMS 0.000007512 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000021131 RMS 0.000004357 Search for a local minimum. Step number 33 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 DE= -3.67D-08 DEPred=-3.75D-08 R= 9.78D-01 Trust test= 9.78D-01 RLast= 3.56D-03 DXMaxT set to 1.67D+00 ITU= 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00044 0.00101 0.00139 0.00248 0.00393 Eigenvalues --- 0.00502 0.00564 0.00771 0.01194 0.01272 Eigenvalues --- 0.01471 0.01573 0.02091 0.02156 0.02304 Eigenvalues --- 0.02463 0.02561 0.02588 0.02620 0.02764 Eigenvalues --- 0.03244 0.03267 0.03431 0.03926 0.04761 Eigenvalues --- 0.05440 0.05634 0.05671 0.05707 0.06560 Eigenvalues --- 0.06734 0.07411 0.07487 0.07580 0.07610 Eigenvalues --- 0.07691 0.07809 0.07956 0.08089 0.08496 Eigenvalues --- 0.15458 0.15832 0.15870 0.15942 0.15985 Eigenvalues --- 0.15992 0.15993 0.15999 0.16004 0.16020 Eigenvalues --- 0.16025 0.16033 0.16060 0.16117 0.16247 Eigenvalues --- 0.16404 0.16835 0.17593 0.18116 0.19216 Eigenvalues --- 0.20888 0.22260 0.22469 0.23124 0.23645 Eigenvalues --- 0.24182 0.24267 0.24469 0.24879 0.24985 Eigenvalues --- 0.25115 0.25486 0.26065 0.26392 0.27576 Eigenvalues --- 0.29016 0.32690 0.32824 0.32894 0.33208 Eigenvalues --- 0.33352 0.33405 0.33539 0.33565 0.33630 Eigenvalues --- 0.33655 0.33689 0.33715 0.33767 0.33778 Eigenvalues --- 0.33887 0.33970 0.34296 0.35872 0.37260 Eigenvalues --- 0.38013 0.39165 0.39771 0.39940 0.40167 Eigenvalues --- 0.40595 0.40919 0.40971 0.41661 0.42815 Eigenvalues --- 0.44545 0.47286 0.48208 0.50557 0.51554 Eigenvalues --- 0.53032 0.54603 0.58301 0.60384 0.61665 Eigenvalues --- 0.66320 0.70830 0.74199 0.75984 0.84098 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 33 32 31 30 29 28 27 26 25 24 RFO step: Lambda=-3.07302816D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. RFO-DIIS uses 3 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.40500 -0.56101 0.15601 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00054810 RMS(Int)= 0.00000013 Iteration 2 RMS(Cart)= 0.00000022 RMS(Int)= 0.00000002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87499 0.00000 -0.00000 0.00001 0.00000 2.87499 R2 2.64618 -0.00001 0.00000 -0.00003 -0.00003 2.64615 R3 2.73115 -0.00000 0.00002 -0.00002 0.00000 2.73116 R4 2.04265 0.00000 -0.00000 0.00000 0.00000 2.04265 R5 2.05442 -0.00000 0.00000 -0.00000 -0.00000 2.05442 R6 2.04891 -0.00000 -0.00000 0.00000 -0.00000 2.04891 R7 2.03968 -0.00000 -0.00000 0.00000 -0.00000 2.03968 R8 1.79044 0.00000 0.00000 0.00000 0.00000 1.79045 R9 2.60513 0.00001 -0.00001 0.00002 0.00002 2.60514 R10 2.39990 0.00000 -0.00001 0.00001 -0.00000 2.39990 R11 2.63940 0.00002 0.00000 0.00005 0.00005 2.63944 R12 2.51689 -0.00002 -0.00001 -0.00005 -0.00006 2.51683 R13 2.61962 -0.00000 -0.00000 -0.00001 -0.00001 2.61961 R14 2.61468 -0.00001 -0.00000 -0.00002 -0.00003 2.61465 R15 2.43841 0.00002 0.00000 0.00000 0.00001 2.43842 R16 2.60639 -0.00002 0.00000 -0.00002 -0.00001 2.60638 R17 2.59297 0.00002 0.00001 0.00002 0.00003 2.59301 R18 2.59198 0.00002 -0.00000 -0.00000 -0.00000 2.59198 R19 2.48832 0.00000 0.00001 0.00002 0.00003 2.48835 R20 2.49496 -0.00000 -0.00001 -0.00003 -0.00004 2.49491 R21 2.48971 0.00001 -0.00001 0.00004 0.00003 2.48975 R22 2.03201 0.00000 -0.00000 0.00000 -0.00000 2.03201 R23 2.40709 0.00000 -0.00000 -0.00001 -0.00001 2.40708 R24 2.52851 0.00001 0.00000 0.00002 0.00002 2.52853 R25 2.03876 -0.00000 0.00000 -0.00000 -0.00000 2.03876 R26 2.03700 -0.00000 0.00000 -0.00000 -0.00000 2.03700 R27 2.54183 0.00001 0.00000 0.00001 0.00001 2.54184 R28 2.73546 0.00000 -0.00000 0.00001 0.00001 2.73547 R29 2.72659 0.00000 0.00000 0.00000 0.00000 2.72660 R30 2.04868 -0.00000 -0.00000 -0.00000 -0.00000 2.04868 R31 2.03578 -0.00000 0.00000 0.00001 0.00001 2.03579 R32 2.05493 -0.00000 0.00000 -0.00001 -0.00000 2.05493 R33 2.04972 0.00000 0.00000 0.00000 0.00000 2.04972 R34 2.05561 -0.00000 -0.00000 -0.00000 -0.00000 2.05561 R35 2.04448 -0.00000 -0.00000 0.00000 -0.00000 2.04448 R36 2.73275 -0.00001 0.00000 -0.00001 -0.00001 2.73275 R37 2.73796 -0.00000 0.00000 0.00000 0.00001 2.73797 R38 2.04808 0.00000 -0.00000 0.00000 0.00000 2.04809 R39 2.05397 0.00000 0.00000 0.00001 0.00001 2.05397 R40 2.04377 -0.00000 0.00000 -0.00000 -0.00000 2.04376 R41 2.04607 -0.00000 -0.00000 -0.00000 -0.00000 2.04607 R42 2.03757 0.00000 0.00000 0.00000 0.00000 2.03757 R43 2.05279 -0.00000 -0.00000 -0.00000 -0.00000 2.05278 A1 1.95841 0.00000 -0.00000 0.00001 0.00001 1.95841 A2 1.97668 0.00001 0.00001 -0.00001 -0.00001 1.97667 A3 1.90924 -0.00000 -0.00003 0.00002 -0.00000 1.90924 A4 1.87560 -0.00000 0.00005 -0.00007 -0.00001 1.87559 A5 1.91886 0.00000 -0.00004 0.00006 0.00002 1.91887 A6 1.81970 -0.00000 0.00001 -0.00001 -0.00000 1.81970 A7 1.90926 -0.00000 0.00001 -0.00002 -0.00000 1.90926 A8 1.92349 0.00000 -0.00001 -0.00000 -0.00001 1.92348 A9 1.93441 0.00000 -0.00001 0.00001 0.00000 1.93441 A10 1.88307 0.00000 0.00000 0.00000 0.00000 1.88308 A11 1.90238 0.00000 -0.00000 -0.00000 -0.00000 1.90238 A12 1.91037 -0.00000 0.00000 0.00000 0.00000 1.91038 A13 1.90437 -0.00000 0.00003 -0.00004 -0.00002 1.90436 A14 2.08429 0.00001 -0.00001 0.00005 0.00004 2.08433 A15 2.19674 0.00001 -0.00002 0.00001 -0.00001 2.19673 A16 2.02977 -0.00001 0.00001 0.00000 0.00001 2.02978 A17 2.05568 -0.00000 0.00001 -0.00001 -0.00000 2.05568 A18 2.33579 0.00000 0.00001 0.00001 0.00002 2.33581 A19 2.03088 -0.00000 -0.00001 -0.00001 -0.00001 2.03087 A20 1.91619 0.00000 -0.00000 -0.00000 -0.00000 1.91619 A21 1.83565 0.00000 0.00000 0.00001 0.00001 1.83565 A22 1.97750 -0.00000 -0.00000 -0.00001 -0.00001 1.97749 A23 2.22096 0.00000 0.00001 0.00004 0.00005 2.22101 A24 2.08441 -0.00000 -0.00001 -0.00003 -0.00004 2.08437 A25 2.26419 0.00000 0.00000 -0.00001 -0.00000 2.26419 A26 2.16487 -0.00000 0.00000 0.00000 0.00001 2.16487 A27 1.84555 0.00000 -0.00000 0.00000 -0.00000 1.84555 A28 1.84963 0.00000 0.00001 0.00000 0.00001 1.84964 A29 2.20489 0.00000 -0.00000 0.00000 0.00000 2.20489 A30 2.22846 -0.00001 -0.00000 -0.00001 -0.00001 2.22845 A31 1.95350 -0.00000 -0.00000 0.00000 0.00000 1.95351 A32 2.23682 -0.00000 0.00001 -0.00001 -0.00001 2.23681 A33 2.02478 0.00000 0.00000 0.00001 0.00002 2.02480 A34 2.02157 0.00000 -0.00001 -0.00000 -0.00001 2.02156 A35 2.08451 0.00001 -0.00000 0.00002 0.00002 2.08452 A36 2.03109 0.00001 0.00002 0.00002 0.00004 2.03113 A37 2.15241 -0.00000 -0.00001 -0.00002 -0.00003 2.15238 A38 2.12548 0.00000 0.00001 0.00002 0.00003 2.12551 A39 2.00525 -0.00000 -0.00000 0.00000 -0.00000 2.00525 A40 2.14958 0.00000 0.00000 0.00002 0.00002 2.14959 A41 2.14422 -0.00000 -0.00000 -0.00001 -0.00002 2.14421 A42 1.98902 -0.00000 -0.00000 0.00000 -0.00000 1.98901 A43 2.10615 0.00000 -0.00001 -0.00001 -0.00002 2.10613 A44 2.10673 0.00000 0.00000 0.00002 0.00002 2.10676 A45 2.04315 -0.00001 -0.00001 0.00002 0.00000 2.04316 A46 1.90481 -0.00000 -0.00001 -0.00000 -0.00001 1.90480 A47 1.90889 0.00000 0.00000 0.00002 0.00002 1.90891 A48 1.94291 -0.00000 0.00000 -0.00001 -0.00001 1.94290 A49 1.91270 -0.00000 -0.00000 -0.00001 -0.00001 1.91270 A50 1.89547 0.00000 0.00000 0.00000 0.00000 1.89547 A51 1.89888 0.00000 0.00000 -0.00001 -0.00001 1.89888 A52 1.92369 0.00000 0.00001 0.00001 0.00002 1.92371 A53 1.94779 -0.00000 -0.00000 -0.00001 -0.00002 1.94777 A54 1.92226 0.00000 -0.00000 0.00000 -0.00000 1.92226 A55 1.88863 0.00000 -0.00000 0.00000 0.00000 1.88863 A56 1.88895 -0.00000 -0.00000 -0.00000 -0.00000 1.88895 A57 1.89107 0.00000 -0.00000 -0.00000 -0.00000 1.89106 A58 2.10613 0.00001 -0.00001 0.00002 0.00001 2.10614 A59 2.09926 0.00000 -0.00001 -0.00004 -0.00005 2.09922 A60 2.04874 -0.00001 -0.00000 -0.00005 -0.00005 2.04869 A61 1.92167 0.00000 0.00000 -0.00000 0.00000 1.92168 A62 1.94620 0.00000 0.00000 0.00002 0.00002 1.94623 A63 1.92027 -0.00000 0.00001 -0.00002 -0.00001 1.92026 A64 1.89215 -0.00000 -0.00000 0.00000 0.00000 1.89215 A65 1.88977 -0.00000 -0.00001 -0.00001 -0.00001 1.88976 A66 1.89251 -0.00000 -0.00000 -0.00000 -0.00000 1.89251 A67 1.90001 -0.00000 -0.00001 -0.00001 -0.00002 1.89999 A68 1.91370 -0.00000 0.00001 -0.00000 0.00001 1.91371 A69 1.94526 0.00000 0.00000 -0.00000 0.00000 1.94526 A70 1.90692 0.00000 -0.00000 -0.00000 -0.00001 1.90692 A71 1.90061 0.00000 -0.00000 0.00002 0.00002 1.90063 A72 1.89700 0.00000 -0.00000 -0.00000 -0.00001 1.89699 D1 1.08962 0.00000 -0.00010 0.00013 0.00003 1.08965 D2 -3.12594 0.00000 -0.00010 0.00012 0.00003 -3.12591 D3 -1.00849 0.00000 -0.00010 0.00013 0.00003 -1.00846 D4 -3.06621 -0.00000 -0.00003 0.00004 0.00001 -3.06620 D5 -0.99859 -0.00000 -0.00002 0.00003 0.00001 -0.99858 D6 1.11886 -0.00000 -0.00003 0.00004 0.00001 1.11888 D7 -1.04481 0.00000 -0.00003 0.00003 0.00000 -1.04480 D8 1.02282 -0.00000 -0.00002 0.00003 0.00000 1.02282 D9 3.14026 0.00000 -0.00003 0.00004 0.00001 3.14027 D10 -1.04297 0.00000 0.00001 -0.00027 -0.00026 -1.04323 D11 3.05619 -0.00000 -0.00004 -0.00021 -0.00024 3.05594 D12 1.08599 -0.00000 -0.00005 -0.00019 -0.00025 1.08575 D13 -1.10455 -0.00000 -0.00001 -0.00009 -0.00010 -1.10465 D14 2.19810 -0.00000 -0.00005 -0.00009 -0.00014 2.19796 D15 1.06847 -0.00000 0.00003 -0.00013 -0.00010 1.06837 D16 -1.91206 -0.00000 -0.00001 -0.00014 -0.00014 -1.91220 D17 3.10479 -0.00000 0.00001 -0.00010 -0.00009 3.10470 D18 0.12425 -0.00000 -0.00002 -0.00010 -0.00013 0.12413 D19 -0.54701 0.00000 -0.00010 0.00009 -0.00001 -0.54702 D20 2.64387 -0.00000 -0.00002 -0.00003 -0.00005 2.64382 D21 -0.03377 -0.00000 -0.00002 0.00002 -0.00000 -0.03377 D22 3.13885 -0.00000 0.00006 -0.00012 -0.00006 3.13879 D23 0.02158 -0.00000 0.00004 -0.00006 -0.00002 0.02156 D24 -3.08931 -0.00000 0.00007 -0.00014 -0.00007 -3.08938 D25 3.11322 0.00000 -0.00005 0.00007 0.00002 3.11324 D26 0.00234 -0.00000 -0.00002 -0.00001 -0.00003 0.00231 D27 3.10480 0.00000 -0.00003 0.00007 0.00004 3.10484 D28 0.00835 -0.00000 0.00005 -0.00005 0.00000 0.00835 D29 -3.11812 0.00000 -0.00000 -0.00002 -0.00003 -3.11815 D30 -0.00577 0.00000 -0.00003 0.00005 0.00002 -0.00575 D31 3.11013 -0.00000 0.00003 -0.00002 0.00001 3.11014 D32 -0.01061 0.00000 -0.00001 0.00004 0.00003 -0.01058 D33 -0.00792 -0.00000 0.00005 -0.00008 -0.00003 -0.00795 D34 -3.12866 -0.00000 0.00001 -0.00002 -0.00001 -3.12867 D35 0.01783 -0.00000 -0.00001 0.00000 -0.00001 0.01783 D36 3.13173 0.00000 -0.00003 0.00007 0.00004 3.13177 D37 -3.02617 0.00000 0.00001 -0.00005 -0.00005 -3.02622 D38 -0.02309 -0.00000 0.00004 -0.00005 -0.00001 -0.02311 D39 0.14073 -0.00000 0.00003 -0.00012 -0.00009 0.14064 D40 -3.13938 -0.00000 0.00006 -0.00011 -0.00005 -3.13943 D41 0.39086 -0.00001 -0.00009 -0.00068 -0.00077 0.39009 D42 -2.77994 -0.00001 -0.00012 -0.00060 -0.00072 -2.78066 D43 3.03071 0.00000 -0.00002 0.00008 0.00006 3.03077 D44 -0.13211 0.00000 0.00002 0.00002 0.00003 -0.13207 D45 0.01761 0.00000 -0.00005 0.00008 0.00003 0.01764 D46 3.13798 0.00000 -0.00001 0.00002 0.00000 3.13798 D47 0.00673 -0.00000 0.00000 -0.00001 -0.00001 0.00673 D48 -3.10953 0.00000 -0.00005 0.00007 0.00002 -3.10951 D49 0.00583 -0.00000 0.00003 -0.00006 -0.00003 0.00581 D50 -3.14070 0.00000 -0.00003 0.00004 0.00001 -3.14069 D51 -0.01363 0.00000 -0.00006 0.00009 0.00003 -0.01360 D52 3.13290 -0.00000 -0.00000 -0.00001 -0.00001 3.13289 D53 -3.04568 -0.00000 0.00002 -0.00012 -0.00010 -3.04577 D54 0.08541 -0.00000 -0.00001 -0.00007 -0.00009 0.08532 D55 -2.92054 0.00000 0.00003 0.00017 0.00021 -2.92033 D56 -0.04223 -0.00000 -0.00006 -0.00012 -0.00018 -0.04240 D57 0.23090 0.00000 0.00007 0.00013 0.00020 0.23110 D58 3.10921 -0.00000 -0.00003 -0.00016 -0.00019 3.10902 D59 -0.09379 -0.00000 -0.00008 0.00009 0.00001 -0.09378 D60 -2.97989 0.00000 0.00000 -0.00004 -0.00003 -2.97992 D61 3.07622 -0.00000 -0.00001 -0.00003 -0.00004 3.07619 D62 0.19012 0.00000 0.00008 -0.00016 -0.00008 0.19004 D63 2.57935 0.00000 -0.00000 0.00038 0.00037 2.57972 D64 0.48703 0.00000 0.00000 0.00037 0.00037 0.48740 D65 -1.61186 0.00000 -0.00001 0.00037 0.00037 -1.61149 D66 -0.80874 -0.00000 -0.00008 0.00050 0.00042 -0.80832 D67 -2.90106 -0.00000 -0.00008 0.00050 0.00042 -2.90064 D68 1.28324 -0.00000 -0.00008 0.00050 0.00042 1.28365 D69 -2.37855 0.00000 0.00003 0.00034 0.00037 -2.37817 D70 1.80561 0.00000 0.00003 0.00034 0.00037 1.80598 D71 -0.29553 0.00000 0.00003 0.00035 0.00039 -0.29514 D72 1.00963 0.00000 0.00011 0.00022 0.00033 1.00996 D73 -1.08940 0.00000 0.00011 0.00022 0.00033 -1.08907 D74 3.09265 0.00000 0.00011 0.00023 0.00034 3.09299 D75 -2.38366 -0.00000 -0.00009 0.00005 -0.00004 -2.38370 D76 1.79845 -0.00000 -0.00009 0.00003 -0.00006 1.79839 D77 -0.30213 -0.00000 -0.00009 0.00003 -0.00006 -0.30219 D78 1.01382 0.00000 0.00000 0.00033 0.00034 1.01416 D79 -1.08725 0.00000 0.00000 0.00031 0.00032 -1.08693 D80 3.09535 0.00000 -0.00000 0.00031 0.00031 3.09567 D81 2.75044 0.00000 0.00007 0.00053 0.00060 2.75105 D82 0.66518 0.00000 0.00008 0.00054 0.00062 0.66580 D83 -1.43604 0.00000 0.00007 0.00054 0.00061 -1.43542 D84 -0.64599 -0.00000 -0.00002 0.00026 0.00024 -0.64575 D85 -2.73125 0.00000 -0.00002 0.00027 0.00025 -2.73100 D86 1.45072 0.00000 -0.00002 0.00027 0.00025 1.45097 Item Value Threshold Converged? Maximum Force 0.000021 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.002828 0.001800 NO RMS Displacement 0.000548 0.001200 YES Predicted change in Energy=-1.504396D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957786 -4.940822 2.053352 2 6 0 7.185770 -5.229821 3.529530 3 8 0 6.830398 -6.113033 1.298045 4 7 0 2.998156 -0.798359 0.095995 5 6 0 4.230613 -1.386195 0.285712 6 6 0 4.469577 -2.587630 0.956767 7 7 0 3.652302 -3.519868 1.576964 8 6 0 4.455623 -4.413226 2.047708 9 7 0 5.784337 -4.134727 1.804302 10 6 0 5.794216 -2.965216 1.087731 11 7 0 6.841153 -2.308802 0.632824 12 6 0 6.494292 -1.195028 0.014553 13 7 0 5.283359 -0.710177 -0.170959 14 1 0 7.775753 -4.344751 1.673843 15 1 0 8.120417 -5.771621 3.651142 16 1 0 7.263853 -4.302019 4.085094 17 7 0 4.121912 -5.538729 2.758133 18 1 0 6.380143 -5.823921 3.933276 19 1 0 7.622636 -6.625440 1.384566 20 6 0 2.931267 -5.967355 2.612745 21 1 0 7.300798 -0.606504 -0.384755 22 6 0 1.967875 -1.532097 -0.017932 23 1 0 2.006635 -2.609245 -0.004140 24 7 0 0.732709 -1.032215 -0.201616 25 6 0 0.501034 0.396175 -0.163930 26 6 0 -0.426903 -1.887545 -0.127231 27 1 0 -0.307318 0.643147 -0.842809 28 1 0 1.397224 0.911659 -0.466711 29 1 0 0.227705 0.726137 0.835520 30 1 0 -1.111990 -1.661596 -0.937234 31 1 0 -0.958622 -1.760354 0.813177 32 1 0 -0.130964 -2.924586 -0.213621 33 7 0 2.425940 -6.986839 3.316767 34 1 0 2.247994 -5.519091 1.908366 35 6 0 1.177424 -7.604496 2.928270 36 6 0 3.254892 -7.700134 4.267174 37 1 0 0.560452 -7.779141 3.802037 38 1 0 1.341841 -8.555561 2.428442 39 1 0 0.635926 -6.953639 2.255337 40 1 0 2.615628 -8.188184 4.992057 41 1 0 3.903415 -7.005011 4.775913 42 1 0 3.866742 -8.451139 3.775597 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521380 0.000000 3 O 1.400284 2.426083 0.000000 4 N 6.055569 6.997366 6.661589 0.000000 5 C 4.816368 5.833419 5.488780 1.378583 0.000000 6 C 3.595997 4.580173 4.256573 2.471335 1.396734 7 N 3.629363 4.384273 4.111277 3.166668 2.560144 8 C 2.557187 3.211904 3.015111 4.358974 3.509726 9 N 1.445267 2.477833 2.294392 4.670382 3.503513 10 C 2.487837 3.609326 3.320641 3.673794 2.362499 11 N 2.993165 4.128198 3.861970 4.163922 2.790450 12 C 4.289814 5.395624 5.093829 3.519509 2.287863 13 N 5.064545 6.143286 5.808799 2.302432 1.331849 14 H 1.080925 2.138925 2.040035 6.155642 4.821616 15 H 2.143565 1.087153 2.705139 7.975585 6.759339 16 H 2.151679 1.084235 3.351910 6.810633 5.669029 17 N 2.982682 3.174540 3.130109 5.551659 4.834069 18 H 2.155840 1.079352 2.689007 7.170693 6.133402 19 H 1.930606 2.596050 0.947464 7.549907 6.337428 20 C 4.192797 4.414210 4.117388 5.749523 5.300038 21 H 4.984810 6.058871 5.777106 4.333666 3.237821 22 C 6.388180 7.313281 6.808885 1.269973 2.287678 23 H 5.846658 6.795416 6.102533 2.066990 2.554592 24 N 7.688541 8.554726 8.077469 2.296848 3.549383 25 C 8.665421 9.485735 9.196087 2.780305 4.157978 26 C 8.283180 9.082703 8.517898 3.600998 4.702587 27 H 9.609900 10.476424 10.058639 3.726318 5.097509 28 H 8.457074 9.337825 9.054283 2.409105 3.724831 29 H 8.882090 9.547031 9.517549 3.247520 4.559332 30 H 9.209680 10.076558 9.375142 4.325048 5.487699 31 H 8.621074 9.259962 8.935869 4.134716 5.229376 32 H 7.710691 8.535800 7.804608 3.795800 4.651810 33 N 5.130305 5.078224 4.923213 6.999864 6.619015 34 H 4.747373 5.205140 4.660867 5.112020 4.862573 35 C 6.424424 6.488515 6.069450 7.593441 7.414334 36 C 5.121155 4.700890 4.911095 8.068404 7.527941 37 H 7.213864 7.104093 6.954000 8.270941 8.167275 38 H 6.689235 6.813549 6.112938 8.267882 8.020980 39 H 6.637630 6.891703 6.324121 6.937605 6.913583 40 H 6.167308 5.637118 5.976309 8.872839 8.427629 41 H 4.582837 3.934289 4.632324 7.825833 7.200005 42 H 4.984276 4.631780 4.515337 8.535746 7.888291 6 7 8 9 10 6 C 0.000000 7 N 1.386237 0.000000 8 C 2.126769 1.290354 0.000000 9 N 2.200095 2.230540 1.379234 0.000000 10 C 1.383615 2.266006 2.193198 1.371614 0.000000 11 N 2.409783 3.539330 3.481558 2.413136 1.316776 12 C 2.631839 3.990353 4.318181 3.514124 2.185265 13 N 2.336414 3.689165 4.395474 3.984993 2.632580 14 H 3.812148 4.206265 3.341815 2.006706 2.484579 15 H 5.543112 5.416333 4.224565 3.398163 4.456253 16 H 4.531395 4.466070 3.471234 2.723779 3.595978 17 N 3.474878 2.385685 1.372161 2.375852 3.494254 18 H 4.794105 4.278082 3.041251 2.782246 4.075859 19 H 5.140885 5.044318 3.919645 3.123968 4.102251 20 C 4.065858 2.753711 2.249055 3.485988 4.419839 21 H 3.706798 5.064342 5.338822 4.420405 3.162519 22 C 2.884910 3.054869 4.330897 4.965844 4.232873 23 H 2.643840 2.457100 3.669056 4.457419 3.957861 24 N 4.210148 4.227977 5.509154 6.258453 5.569359 25 C 5.090028 5.319455 6.607606 7.233001 6.394012 26 C 5.063664 4.712608 5.911724 6.881871 6.429606 27 H 6.041119 6.234146 7.523802 8.181902 7.346835 28 H 4.869360 5.375911 6.635549 7.061889 6.064651 29 H 5.384165 5.505104 6.764447 7.445985 6.683992 30 H 5.966462 5.698495 6.890549 7.822513 7.314068 31 H 5.492754 4.993984 6.154336 7.217165 6.864976 32 H 4.759026 4.227725 5.326016 6.366101 6.066542 33 N 5.394358 4.068263 3.514771 4.658425 5.699766 34 H 3.799268 2.465522 2.473051 3.799080 4.446505 35 C 6.316174 4.963390 4.658990 5.875904 6.798917 36 C 6.210632 4.986961 4.143857 5.017564 6.243113 37 H 7.094266 5.714184 5.438696 6.675453 7.611413 38 H 6.896722 5.605484 5.196109 6.298341 7.271390 39 H 5.953587 4.620551 4.592047 5.886920 6.624105 40 H 7.147511 5.876285 5.128849 6.052522 7.254418 41 H 5.866829 4.737358 3.803340 4.539480 5.787725 42 H 6.533755 5.403463 4.431380 5.118065 6.405867 11 12 13 14 15 11 N 0.000000 12 C 1.320251 0.000000 13 N 2.372423 1.317518 0.000000 14 H 2.470281 3.783668 4.777599 0.000000 15 H 4.768425 6.067476 6.948062 2.462613 0.000000 16 H 4.008711 5.178313 5.910810 2.465360 1.755491 17 N 4.726906 5.658901 5.765713 3.993973 4.103626 18 H 4.843715 6.065976 6.648161 3.039853 1.763770 19 H 4.450752 5.713096 6.548451 2.304055 2.472683 20 C 5.708967 6.497757 6.396816 5.194557 5.295645 21 H 2.035819 1.075295 2.031384 4.293937 6.605957 22 C 4.977509 4.539066 3.419270 6.671175 8.324028 23 H 4.885545 4.705254 3.790937 6.253825 7.793589 24 N 6.295955 5.767935 4.562133 8.005917 9.585611 25 C 6.938936 6.203461 4.908635 8.875547 10.519101 26 C 7.319821 6.957199 5.830540 8.750160 10.120219 27 H 7.873508 7.097594 5.791246 9.825919 11.505284 28 H 6.420024 5.536230 4.221358 8.538001 10.335583 29 H 7.279398 6.605677 5.351227 9.131797 10.603937 30 H 8.132431 7.679785 6.510980 9.644118 11.098776 31 H 7.821113 7.516869 6.405757 9.149271 10.323432 32 H 7.050254 6.851091 5.849813 8.252004 9.546062 33 N 6.970057 7.810325 7.728231 6.188726 5.832292 34 H 5.747180 6.349417 6.054972 5.655987 6.130773 35 C 8.086488 8.822705 8.602067 7.465754 7.217141 36 C 7.425377 8.419911 8.524740 6.198559 5.269913 37 H 8.911550 9.638778 9.384071 8.269511 7.823425 38 H 8.514029 9.303336 9.156555 7.726291 7.429294 39 H 7.919085 8.514879 8.152690 7.623750 7.704741 40 H 8.451338 9.419332 9.470697 7.239435 6.159589 41 H 6.917361 7.946012 8.124083 5.629816 4.535357 42 H 7.513485 8.584907 8.803669 6.046500 5.028822 16 17 18 19 20 16 H 0.000000 17 N 3.627957 0.000000 18 H 1.766402 2.561621 0.000000 19 H 3.580484 3.914422 2.946548 0.000000 20 C 4.869544 1.273772 3.695826 4.893919 0.000000 21 H 5.799806 6.656569 6.834796 6.281852 7.537674 22 C 7.249461 5.329120 7.314363 7.738570 5.245960 23 H 6.872093 4.548233 6.705592 7.042570 4.356596 24 N 8.468964 6.368319 8.482411 9.015056 6.091788 25 C 9.266227 7.541373 9.488973 10.120185 7.355982 26 C 9.095114 6.507549 8.849783 9.461937 5.952278 27 H 10.298617 8.414300 10.457346 10.985341 8.131913 28 H 9.072966 7.709154 9.463478 9.949414 7.691369 29 H 9.238477 7.622981 9.505359 10.441846 7.434420 30 H 10.116835 7.488767 9.857935 10.311362 6.891286 31 H 9.207312 6.623503 8.950143 9.880968 6.005708 32 H 8.663694 5.809649 8.246055 8.738927 5.159849 33 N 5.586053 2.299003 4.167516 5.556047 1.338040 34 H 5.601629 2.057682 4.611706 5.512272 1.078865 35 C 7.020628 3.600882 5.590061 6.699428 2.419867 36 C 5.258527 2.774995 3.660445 5.342432 2.417518 37 H 7.556857 4.335110 6.140759 7.553121 3.212125 38 H 7.477121 4.115673 5.925443 6.653077 3.042870 39 H 7.369431 3.795638 6.089973 7.048409 2.523704 40 H 6.126243 3.778746 4.569720 6.366027 3.269991 41 H 4.367601 2.503829 2.870400 5.047565 2.588649 42 H 5.371345 3.095558 3.639276 4.812167 2.897676 21 22 23 24 25 21 H 0.000000 22 C 5.425067 0.000000 23 H 5.673094 1.077934 0.000000 24 N 6.584418 1.345086 2.036887 0.000000 25 C 6.876840 2.427173 3.365252 1.447547 0.000000 26 C 7.837395 2.423479 2.541282 1.442853 2.465318 27 H 7.723656 3.254014 4.078700 2.073552 1.084114 28 H 6.096206 2.549311 3.603071 2.071352 1.077291 29 H 7.300250 2.975936 3.872260 2.102970 1.087421 30 H 8.496673 3.216745 3.390358 2.083307 2.726586 31 H 8.425226 3.050775 3.190827 2.102521 2.781358 32 H 7.786776 2.526350 2.170865 2.080179 3.380732 33 N 8.841617 6.409700 5.510678 7.120647 8.386264 34 H 7.410988 4.436803 3.490436 5.184610 6.506663 35 C 9.871360 6.795510 5.851424 7.293068 8.604066 36 C 9.398371 7.619923 6.761614 8.413836 9.631648 37 H 10.696178 7.456445 6.580749 7.847288 9.086706 38 H 10.325249 7.463627 6.458954 7.993059 9.357400 39 H 9.574796 6.027849 5.085061 6.411650 7.738916 40 H 10.408785 8.356020 7.513816 9.040328 10.234595 41 H 8.894695 7.528616 6.765312 8.396635 9.526585 42 H 9.520482 8.116016 7.202371 8.982251 10.252943 26 27 28 29 30 26 C 0.000000 27 H 2.632633 0.000000 28 H 3.358308 1.766072 0.000000 29 H 2.861248 1.763498 1.760113 0.000000 30 H 1.084667 2.443001 3.624802 3.261704 0.000000 31 H 1.087782 2.990536 3.785205 2.755089 1.759890 32 H 1.081895 3.627078 4.137172 3.815379 1.755326 33 N 6.782525 9.109855 8.818120 8.395167 7.679303 34 H 4.948420 7.216077 6.907920 6.650974 5.853820 35 C 6.677835 9.189620 9.170557 8.641818 7.449939 36 C 8.164104 10.412089 10.001179 9.588647 9.089525 37 H 7.150169 9.657254 9.718663 9.013918 7.917203 38 H 7.356790 9.901366 9.900164 9.483071 8.054553 39 H 5.698381 8.258292 8.357753 7.820582 6.422885 40 H 8.669611 10.980969 10.681283 10.121468 9.573295 41 H 8.305477 10.382419 9.820376 9.423811 9.292278 42 H 8.760606 11.020821 10.571551 10.300925 9.648650 31 32 33 34 35 31 H 0.000000 32 H 1.759195 0.000000 33 N 6.711138 5.958465 0.000000 34 H 5.060626 4.110199 2.041946 0.000000 35 C 6.571933 5.786615 1.446106 2.556411 0.000000 36 C 8.060073 7.372069 1.448870 3.366714 2.473396 37 H 6.889606 6.338002 2.084053 3.397295 1.083800 38 H 7.353642 6.391990 2.103635 3.211190 1.086916 39 H 5.620731 4.787186 2.081318 2.185653 1.081514 40 H 8.459037 7.896095 2.070219 4.094919 2.582313 41 H 8.176131 7.604048 2.076625 3.629215 3.347267 42 H 8.765083 7.901792 2.104901 3.834553 2.944011 36 37 38 39 40 36 C 0.000000 37 H 2.735435 0.000000 38 H 2.787912 1.760727 0.000000 39 H 3.385812 1.754830 1.759101 0.000000 40 H 1.082732 2.409816 2.886108 3.596242 0.000000 41 H 1.078236 3.566947 3.804798 4.127036 1.762104 42 H 1.086286 3.373994 2.863713 3.871933 1.764712 41 42 41 H 0.000000 42 H 1.758768 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487900 -2.267156 0.147261 2 6 0 3.469138 -2.134940 -1.007853 3 8 0 3.046721 -1.861650 1.365490 4 7 0 -3.258701 -0.389433 -0.200074 5 6 0 -2.223602 -1.288566 -0.056470 6 6 0 -0.861959 -0.977725 -0.069540 7 7 0 -0.148194 0.204260 -0.192437 8 6 0 1.093304 -0.146087 -0.161567 9 7 0 1.272973 -1.508712 -0.046420 10 6 0 0.012847 -2.045230 0.028119 11 7 0 -0.315781 -3.315195 0.142542 12 6 0 -1.624771 -3.487169 0.148141 13 7 0 -2.566589 -2.571054 0.050332 14 1 0 2.153235 -3.292510 0.218292 15 1 0 4.321623 -2.786750 -0.833736 16 1 0 2.999154 -2.441825 -1.935485 17 7 0 2.190105 0.672577 -0.259774 18 1 0 3.817817 -1.117699 -1.100825 19 1 0 3.804798 -2.398194 1.552910 20 6 0 2.011047 1.897102 0.041840 21 1 0 -1.966627 -4.502539 0.239882 22 6 0 -3.115592 0.799437 0.222937 23 1 0 -2.225420 1.143952 0.723779 24 7 0 -4.078080 1.732918 0.115765 25 6 0 -5.303124 1.451424 -0.602162 26 6 0 -3.802624 3.114454 0.427705 27 1 0 -6.118126 1.999262 -0.142871 28 1 0 -5.508254 0.394751 -0.558334 29 1 0 -5.228033 1.750833 -1.644850 30 1 0 -4.611684 3.534605 1.015410 31 1 0 -3.690136 3.713633 -0.473184 32 1 0 -2.890273 3.191405 1.004064 33 7 0 2.953167 2.835755 -0.105451 34 1 0 1.070553 2.254808 0.431027 35 6 0 2.795569 4.140285 0.498358 36 6 0 4.273755 2.476899 -0.581364 37 1 0 3.088853 4.913115 -0.202600 38 1 0 3.402904 4.240835 1.394137 39 1 0 1.760442 4.301304 0.767163 40 1 0 4.744713 3.355960 -1.002979 41 1 0 4.190880 1.718045 -1.342852 42 1 0 4.896184 2.096030 0.223333 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211691 0.1991180 0.1278620 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3228500969 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.91D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000006 0.000004 0.000002 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963449 A.U. after 7 cycles NFock= 7 Conv=0.67D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000002928 0.000002411 0.000000948 2 6 0.000000442 -0.000000990 0.000001481 3 8 0.000001229 -0.000002713 0.000000575 4 7 0.000004271 0.000005485 -0.000000543 5 6 -0.000005347 0.000003334 -0.000003669 6 6 0.000008575 -0.000011903 0.000006191 7 7 -0.000012012 0.000007943 -0.000009914 8 6 0.000024743 0.000003269 0.000006987 9 7 -0.000013058 -0.000017430 0.000006270 10 6 -0.000004824 0.000022396 -0.000010585 11 7 0.000003478 -0.000012803 0.000007137 12 6 -0.000002760 0.000010278 -0.000007052 13 7 -0.000001381 -0.000002048 0.000001570 14 1 0.000000353 0.000000493 0.000000706 15 1 -0.000000383 0.000001035 -0.000001325 16 1 0.000000273 -0.000000348 0.000000932 17 7 0.000002621 -0.000007803 -0.000000374 18 1 0.000001075 0.000000607 -0.000000770 19 1 0.000000659 0.000000535 -0.000001570 20 6 -0.000005984 -0.000001688 -0.000001456 21 1 0.000000521 -0.000000228 0.000000885 22 6 -0.000003300 -0.000005403 0.000008289 23 1 0.000000481 0.000000482 -0.000002423 24 7 0.000007392 -0.000000172 -0.000016262 25 6 -0.000001914 0.000001055 0.000005980 26 6 -0.000001985 0.000000646 0.000003499 27 1 0.000000025 -0.000000928 -0.000000336 28 1 -0.000000235 -0.000001685 0.000000824 29 1 -0.000000915 0.000000443 0.000000407 30 1 0.000000492 -0.000000814 -0.000000534 31 1 0.000000091 0.000001745 -0.000000256 32 1 -0.000000038 0.000000599 0.000002263 33 7 -0.000001754 0.000001167 0.000001021 34 1 -0.000000693 0.000000652 0.000000459 35 6 0.000001006 0.000003280 0.000002105 36 6 0.000000340 -0.000000886 -0.000000634 37 1 -0.000000418 -0.000000872 -0.000000089 38 1 0.000001530 0.000001056 0.000000361 39 1 -0.000000622 -0.000000497 -0.000001296 40 1 0.000000308 -0.000000239 -0.000000596 41 1 -0.000000288 -0.000000366 0.000000817 42 1 0.000000933 0.000000906 -0.000000024 ------------------------------------------------------------------- Cartesian Forces: Max 0.000024743 RMS 0.000005323 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000014102 RMS 0.000002520 Search for a local minimum. Step number 34 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 DE= -2.25D-08 DEPred=-1.50D-08 R= 1.49D+00 Trust test= 1.49D+00 RLast= 2.23D-03 DXMaxT set to 1.67D+00 ITU= 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00045 0.00099 0.00138 0.00248 0.00383 Eigenvalues --- 0.00451 0.00618 0.00742 0.00952 0.01222 Eigenvalues --- 0.01311 0.01497 0.02094 0.02160 0.02303 Eigenvalues --- 0.02499 0.02553 0.02588 0.02621 0.02765 Eigenvalues --- 0.03247 0.03273 0.03432 0.03955 0.04825 Eigenvalues --- 0.05446 0.05641 0.05702 0.05784 0.06589 Eigenvalues --- 0.06805 0.07412 0.07487 0.07582 0.07602 Eigenvalues --- 0.07699 0.07809 0.07959 0.08129 0.08504 Eigenvalues --- 0.15575 0.15854 0.15884 0.15957 0.15979 Eigenvalues --- 0.15991 0.15994 0.15998 0.16004 0.16021 Eigenvalues --- 0.16026 0.16053 0.16065 0.16107 0.16263 Eigenvalues --- 0.16407 0.16902 0.17613 0.18202 0.19230 Eigenvalues --- 0.21029 0.22311 0.22499 0.23134 0.23588 Eigenvalues --- 0.23840 0.24211 0.24469 0.24895 0.25106 Eigenvalues --- 0.25121 0.25658 0.26356 0.26496 0.27585 Eigenvalues --- 0.28825 0.32564 0.32826 0.32931 0.33208 Eigenvalues --- 0.33353 0.33410 0.33544 0.33563 0.33632 Eigenvalues --- 0.33645 0.33691 0.33701 0.33767 0.33787 Eigenvalues --- 0.33901 0.34061 0.34559 0.35870 0.37458 Eigenvalues --- 0.38432 0.39106 0.39765 0.39821 0.40246 Eigenvalues --- 0.40598 0.40970 0.41023 0.41880 0.43030 Eigenvalues --- 0.46071 0.48105 0.48166 0.50558 0.51528 Eigenvalues --- 0.53014 0.54755 0.59450 0.59866 0.64672 Eigenvalues --- 0.66193 0.70747 0.73911 0.75580 0.83361 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 34 33 32 31 30 29 28 27 26 25 RFO step: Lambda=-1.80144301D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.54100 -0.04514 -0.69135 0.19550 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00039398 RMS(Int)= 0.00000007 Iteration 2 RMS(Cart)= 0.00000011 RMS(Int)= 0.00000003 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87499 0.00000 -0.00000 0.00001 0.00000 2.87500 R2 2.64615 0.00000 -0.00001 0.00001 -0.00001 2.64615 R3 2.73116 0.00000 0.00003 -0.00003 0.00000 2.73116 R4 2.04265 0.00000 0.00000 -0.00000 0.00000 2.04265 R5 2.05442 -0.00000 0.00000 -0.00000 -0.00000 2.05442 R6 2.04891 0.00000 -0.00000 0.00000 0.00000 2.04891 R7 2.03968 -0.00000 -0.00000 -0.00000 -0.00000 2.03968 R8 1.79045 0.00000 0.00001 -0.00001 -0.00000 1.79045 R9 2.60514 -0.00000 0.00000 -0.00000 -0.00000 2.60514 R10 2.39990 0.00000 -0.00001 0.00001 -0.00001 2.39989 R11 2.63944 0.00001 0.00003 -0.00000 0.00003 2.63947 R12 2.51683 -0.00000 -0.00005 0.00002 -0.00003 2.51680 R13 2.61961 -0.00000 -0.00001 0.00000 -0.00001 2.61960 R14 2.61465 -0.00001 -0.00002 -0.00000 -0.00002 2.61463 R15 2.43842 0.00001 0.00001 0.00001 0.00002 2.43844 R16 2.60638 -0.00001 -0.00001 -0.00002 -0.00003 2.60635 R17 2.59301 0.00001 0.00003 -0.00001 0.00002 2.59303 R18 2.59198 0.00001 -0.00000 0.00002 0.00002 2.59200 R19 2.48835 -0.00000 0.00002 -0.00001 0.00001 2.48835 R20 2.49491 0.00001 -0.00003 0.00002 -0.00001 2.49490 R21 2.48975 -0.00000 0.00001 0.00001 0.00002 2.48976 R22 2.03201 -0.00000 -0.00000 0.00000 -0.00000 2.03201 R23 2.40708 0.00000 -0.00000 0.00001 0.00000 2.40708 R24 2.52853 -0.00000 0.00002 -0.00001 0.00001 2.52854 R25 2.03876 0.00000 -0.00000 -0.00000 -0.00000 2.03876 R26 2.03700 -0.00000 0.00000 -0.00000 -0.00000 2.03700 R27 2.54184 -0.00000 0.00001 -0.00000 0.00001 2.54185 R28 2.73547 -0.00000 0.00000 0.00000 0.00000 2.73547 R29 2.72660 0.00000 0.00000 -0.00000 0.00000 2.72660 R30 2.04868 -0.00000 -0.00000 0.00000 -0.00000 2.04868 R31 2.03579 -0.00000 0.00000 -0.00001 -0.00000 2.03578 R32 2.05493 0.00000 -0.00000 0.00000 0.00000 2.05493 R33 2.04972 -0.00000 0.00000 -0.00000 0.00000 2.04973 R34 2.05561 -0.00000 -0.00000 0.00000 -0.00000 2.05561 R35 2.04448 -0.00000 -0.00000 0.00000 -0.00000 2.04448 R36 2.73275 -0.00000 -0.00000 -0.00001 -0.00001 2.73274 R37 2.73797 0.00000 0.00001 -0.00000 0.00001 2.73797 R38 2.04809 0.00000 -0.00000 0.00000 -0.00000 2.04809 R39 2.05397 -0.00000 0.00000 -0.00000 0.00000 2.05398 R40 2.04376 0.00000 0.00000 -0.00000 0.00000 2.04377 R41 2.04607 -0.00000 -0.00001 0.00000 -0.00000 2.04606 R42 2.03757 -0.00000 0.00000 -0.00000 0.00000 2.03757 R43 2.05278 -0.00000 -0.00000 -0.00000 -0.00000 2.05278 A1 1.95841 -0.00000 0.00000 0.00001 0.00001 1.95842 A2 1.97667 0.00000 0.00000 0.00001 0.00001 1.97668 A3 1.90924 -0.00000 -0.00003 0.00002 -0.00001 1.90923 A4 1.87559 0.00000 0.00006 -0.00004 0.00002 1.87560 A5 1.91887 0.00000 -0.00004 0.00004 -0.00000 1.91887 A6 1.81970 -0.00000 0.00001 -0.00003 -0.00002 1.81968 A7 1.90926 -0.00000 0.00002 -0.00003 -0.00001 1.90925 A8 1.92348 0.00000 -0.00001 0.00002 0.00001 1.92349 A9 1.93441 -0.00000 -0.00001 0.00001 -0.00000 1.93441 A10 1.88308 -0.00000 0.00000 -0.00000 0.00000 1.88308 A11 1.90238 0.00000 -0.00000 0.00000 0.00000 1.90238 A12 1.91038 -0.00000 0.00001 -0.00000 0.00000 1.91038 A13 1.90436 0.00000 0.00003 -0.00003 -0.00000 1.90435 A14 2.08433 -0.00000 0.00001 -0.00001 -0.00000 2.08433 A15 2.19673 0.00000 -0.00002 0.00003 0.00000 2.19673 A16 2.02978 -0.00000 0.00001 -0.00002 -0.00000 2.02977 A17 2.05568 -0.00000 0.00001 -0.00001 0.00000 2.05569 A18 2.33581 -0.00000 0.00002 -0.00001 0.00001 2.33582 A19 2.03087 -0.00000 -0.00001 -0.00000 -0.00001 2.03085 A20 1.91619 0.00000 -0.00000 0.00001 0.00001 1.91619 A21 1.83565 -0.00000 0.00000 -0.00001 -0.00000 1.83565 A22 1.97749 0.00000 -0.00001 0.00000 -0.00000 1.97749 A23 2.22101 -0.00000 0.00004 -0.00002 0.00002 2.22103 A24 2.08437 0.00000 -0.00004 0.00002 -0.00002 2.08435 A25 2.26419 0.00001 0.00001 0.00001 0.00002 2.26421 A26 2.16487 -0.00001 0.00001 -0.00002 -0.00001 2.16486 A27 1.84555 -0.00000 -0.00000 0.00001 0.00000 1.84555 A28 1.84964 -0.00000 0.00001 -0.00001 -0.00000 1.84963 A29 2.20489 0.00000 -0.00000 0.00002 0.00002 2.20490 A30 2.22845 -0.00000 -0.00001 -0.00000 -0.00001 2.22843 A31 1.95351 -0.00000 0.00000 -0.00001 -0.00000 1.95350 A32 2.23681 -0.00000 0.00000 -0.00001 -0.00001 2.23680 A33 2.02480 0.00000 0.00002 -0.00001 0.00001 2.02481 A34 2.02156 0.00000 -0.00002 0.00002 0.00000 2.02156 A35 2.08452 0.00000 0.00000 0.00001 0.00001 2.08453 A36 2.03113 -0.00000 0.00005 -0.00003 0.00002 2.03115 A37 2.15238 -0.00000 -0.00002 -0.00000 -0.00003 2.15235 A38 2.12551 0.00000 0.00003 -0.00001 0.00002 2.12553 A39 2.00525 0.00000 -0.00001 0.00001 0.00000 2.00526 A40 2.14959 0.00000 0.00001 -0.00000 0.00001 2.14961 A41 2.14421 -0.00000 -0.00001 -0.00001 -0.00002 2.14419 A42 1.98901 0.00000 -0.00000 0.00001 0.00000 1.98902 A43 2.10613 0.00000 -0.00002 0.00001 -0.00001 2.10612 A44 2.10676 0.00000 0.00002 -0.00002 0.00000 2.10676 A45 2.04316 -0.00001 -0.00002 -0.00003 -0.00005 2.04311 A46 1.90480 -0.00000 -0.00001 0.00000 -0.00001 1.90479 A47 1.90891 -0.00000 0.00002 -0.00002 0.00000 1.90891 A48 1.94290 0.00000 -0.00000 0.00000 0.00000 1.94290 A49 1.91270 0.00000 -0.00000 0.00001 0.00000 1.91270 A50 1.89547 0.00000 0.00000 0.00000 0.00000 1.89548 A51 1.89888 0.00000 -0.00000 0.00000 0.00000 1.89888 A52 1.92371 0.00000 0.00003 -0.00001 0.00002 1.92373 A53 1.94777 -0.00000 -0.00001 -0.00001 -0.00003 1.94774 A54 1.92226 0.00000 -0.00000 0.00000 0.00000 1.92226 A55 1.88863 0.00000 -0.00000 0.00000 0.00000 1.88863 A56 1.88895 0.00000 -0.00000 0.00001 0.00001 1.88896 A57 1.89106 0.00000 -0.00001 0.00000 -0.00000 1.89106 A58 2.10614 -0.00000 -0.00001 0.00000 -0.00001 2.10613 A59 2.09922 -0.00000 -0.00004 0.00001 -0.00003 2.09919 A60 2.04869 0.00000 -0.00003 0.00001 -0.00002 2.04868 A61 1.92168 0.00000 0.00000 0.00000 0.00000 1.92168 A62 1.94623 -0.00000 0.00001 -0.00001 0.00000 1.94623 A63 1.92026 0.00000 0.00000 -0.00000 -0.00000 1.92026 A64 1.89215 0.00000 -0.00000 0.00000 0.00000 1.89215 A65 1.88976 -0.00000 -0.00001 0.00001 -0.00000 1.88976 A66 1.89251 -0.00000 -0.00000 -0.00000 -0.00000 1.89251 A67 1.89999 0.00000 -0.00002 0.00001 -0.00000 1.89998 A68 1.91371 0.00000 0.00002 -0.00001 0.00001 1.91372 A69 1.94526 0.00000 0.00000 -0.00001 -0.00000 1.94526 A70 1.90692 -0.00000 -0.00001 0.00000 -0.00001 1.90691 A71 1.90063 0.00000 0.00001 0.00000 0.00001 1.90064 A72 1.89699 -0.00000 -0.00001 0.00000 -0.00001 1.89699 D1 1.08965 -0.00000 -0.00011 0.00012 0.00001 1.08966 D2 -3.12591 -0.00000 -0.00010 0.00011 0.00001 -3.12590 D3 -1.00846 -0.00000 -0.00011 0.00013 0.00002 -1.00844 D4 -3.06620 0.00000 -0.00003 0.00007 0.00004 -3.06615 D5 -0.99858 0.00000 -0.00002 0.00006 0.00004 -0.99853 D6 1.11888 0.00000 -0.00003 0.00008 0.00005 1.11893 D7 -1.04480 0.00000 -0.00003 0.00005 0.00002 -1.04479 D8 1.02282 -0.00000 -0.00003 0.00004 0.00002 1.02284 D9 3.14027 0.00000 -0.00003 0.00006 0.00003 3.14030 D10 -1.04323 0.00000 -0.00013 -0.00008 -0.00020 -1.04343 D11 3.05594 -0.00000 -0.00017 -0.00006 -0.00023 3.05571 D12 1.08575 -0.00000 -0.00020 -0.00002 -0.00022 1.08553 D13 -1.10465 0.00000 -0.00007 0.00008 0.00001 -1.10464 D14 2.19796 -0.00000 -0.00013 0.00007 -0.00006 2.19791 D15 1.06837 0.00000 -0.00002 0.00006 0.00004 1.06840 D16 -1.91220 0.00000 -0.00008 0.00005 -0.00003 -1.91223 D17 3.10470 0.00000 -0.00003 0.00007 0.00003 3.10473 D18 0.12413 0.00000 -0.00010 0.00006 -0.00003 0.12409 D19 -0.54702 0.00000 -0.00012 0.00011 -0.00001 -0.54703 D20 2.64382 0.00000 -0.00004 0.00002 -0.00002 2.64380 D21 -0.03377 -0.00000 -0.00003 0.00001 -0.00001 -0.03379 D22 3.13879 0.00000 0.00004 0.00001 0.00005 3.13884 D23 0.02156 0.00000 0.00004 -0.00004 -0.00000 0.02155 D24 -3.08938 0.00000 0.00005 -0.00007 -0.00002 -3.08940 D25 3.11324 0.00000 -0.00005 0.00005 0.00000 3.11325 D26 0.00231 -0.00000 -0.00004 0.00003 -0.00001 0.00230 D27 3.10484 -0.00000 -0.00001 0.00002 0.00001 3.10485 D28 0.00835 0.00000 0.00006 -0.00006 0.00000 0.00835 D29 -3.11815 0.00000 -0.00002 0.00002 0.00000 -3.11815 D30 -0.00575 0.00000 -0.00002 0.00004 0.00001 -0.00574 D31 3.11014 0.00000 0.00004 -0.00002 0.00002 3.11016 D32 -0.01058 0.00000 0.00001 0.00001 0.00001 -0.01057 D33 -0.00795 0.00000 0.00005 -0.00004 0.00001 -0.00794 D34 -3.12867 0.00000 0.00001 -0.00001 -0.00000 -3.12867 D35 0.01783 -0.00000 -0.00001 -0.00002 -0.00003 0.01779 D36 3.13177 0.00000 -0.00002 0.00003 0.00001 3.13178 D37 -3.02622 0.00000 -0.00001 -0.00000 -0.00001 -3.02623 D38 -0.02311 0.00000 0.00004 0.00000 0.00004 -0.02306 D39 0.14064 -0.00000 -0.00001 -0.00004 -0.00006 0.14058 D40 -3.13943 -0.00000 0.00004 -0.00004 0.00000 -3.13943 D41 0.39009 -0.00001 -0.00052 -0.00006 -0.00058 0.38951 D42 -2.78066 -0.00000 -0.00053 -0.00001 -0.00053 -2.78119 D43 3.03077 0.00000 -0.00000 0.00003 0.00003 3.03079 D44 -0.13207 0.00000 0.00004 0.00000 0.00004 -0.13204 D45 0.01764 -0.00000 -0.00005 0.00002 -0.00003 0.01761 D46 3.13798 -0.00000 -0.00001 -0.00000 -0.00002 3.13796 D47 0.00673 -0.00000 0.00000 -0.00000 -0.00000 0.00673 D48 -3.10951 -0.00000 -0.00004 0.00003 -0.00002 -3.10952 D49 0.00581 0.00000 0.00003 -0.00004 -0.00001 0.00580 D50 -3.14069 -0.00000 -0.00003 0.00002 -0.00001 -3.14070 D51 -0.01360 -0.00000 -0.00006 0.00007 0.00001 -0.01359 D52 3.13289 0.00000 -0.00001 0.00002 0.00001 3.13290 D53 -3.04577 0.00000 -0.00002 0.00002 -0.00001 -3.04578 D54 0.08532 -0.00000 -0.00006 -0.00001 -0.00007 0.08526 D55 -2.92033 0.00000 0.00016 -0.00006 0.00009 -2.92024 D56 -0.04240 -0.00000 -0.00017 0.00003 -0.00014 -0.04254 D57 0.23110 0.00000 0.00019 -0.00004 0.00015 0.23125 D58 3.10902 0.00000 -0.00014 0.00006 -0.00008 3.10894 D59 -0.09378 -0.00000 -0.00009 -0.00004 -0.00013 -0.09391 D60 -2.97992 0.00000 -0.00001 0.00016 0.00015 -2.97977 D61 3.07619 0.00000 -0.00003 -0.00004 -0.00007 3.07612 D62 0.19004 0.00000 0.00006 0.00015 0.00021 0.19025 D63 2.57972 0.00000 0.00021 0.00003 0.00024 2.57996 D64 0.48740 0.00000 0.00022 0.00003 0.00024 0.48764 D65 -1.61149 0.00000 0.00021 0.00003 0.00024 -1.61125 D66 -0.80832 -0.00000 0.00013 -0.00016 -0.00003 -0.80834 D67 -2.90064 -0.00000 0.00014 -0.00016 -0.00002 -2.90066 D68 1.28365 -0.00000 0.00013 -0.00015 -0.00003 1.28363 D69 -2.37817 -0.00000 0.00024 0.00000 0.00024 -2.37794 D70 1.80598 0.00000 0.00023 0.00001 0.00024 1.80622 D71 -0.29514 0.00000 0.00025 0.00001 0.00026 -0.29488 D72 1.00996 0.00000 0.00032 0.00019 0.00051 1.01047 D73 -1.08907 0.00000 0.00031 0.00019 0.00051 -1.08856 D74 3.09299 0.00000 0.00033 0.00020 0.00053 3.09352 D75 -2.38370 -0.00000 -0.00014 0.00007 -0.00007 -2.38377 D76 1.79839 -0.00000 -0.00015 0.00008 -0.00007 1.79832 D77 -0.30219 0.00000 -0.00016 0.00009 -0.00007 -0.30226 D78 1.01416 -0.00000 0.00018 -0.00002 0.00016 1.01432 D79 -1.08693 0.00000 0.00017 -0.00002 0.00015 -1.08678 D80 3.09567 0.00000 0.00016 -0.00001 0.00016 3.09582 D81 2.75105 0.00000 0.00042 -0.00004 0.00038 2.75143 D82 0.66580 0.00000 0.00043 -0.00004 0.00039 0.66618 D83 -1.43542 0.00000 0.00042 -0.00003 0.00039 -1.43503 D84 -0.64575 0.00000 0.00010 0.00006 0.00016 -0.64559 D85 -2.73100 0.00000 0.00011 0.00005 0.00016 -2.73083 D86 1.45097 0.00000 0.00010 0.00006 0.00017 1.45113 Item Value Threshold Converged? Maximum Force 0.000014 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.001868 0.001800 NO RMS Displacement 0.000394 0.001200 YES Predicted change in Energy=-8.885622D-09 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957797 -4.940806 2.053370 2 6 0 7.185730 -5.229855 3.529548 3 8 0 6.830554 -6.112985 1.297995 4 7 0 2.998146 -0.798371 0.095981 5 6 0 4.230607 -1.386173 0.285769 6 6 0 4.469562 -2.587653 0.956779 7 7 0 3.652280 -3.519962 1.576851 8 6 0 4.455613 -4.413319 2.047606 9 7 0 5.784314 -4.134767 1.804285 10 6 0 5.794197 -2.965190 1.087803 11 7 0 6.841152 -2.308711 0.633017 12 6 0 6.494300 -1.194911 0.014798 13 7 0 5.283352 -0.710099 -0.170772 14 1 0 7.775741 -4.344651 1.673943 15 1 0 8.120425 -5.771567 3.651172 16 1 0 7.263692 -4.302077 4.085171 17 7 0 4.121920 -5.538905 2.757936 18 1 0 6.380144 -5.824061 3.933215 19 1 0 7.622903 -6.625240 1.384386 20 6 0 2.931120 -5.967241 2.612951 21 1 0 7.300811 -0.606321 -0.384403 22 6 0 1.967905 -1.532138 -0.018091 23 1 0 2.006694 -2.609286 -0.004384 24 7 0 0.732749 -1.032268 -0.201909 25 6 0 0.501037 0.396113 -0.164041 26 6 0 -0.426873 -1.887586 -0.127506 27 1 0 -0.307368 0.643130 -0.842838 28 1 0 1.397190 0.911658 -0.466828 29 1 0 0.227767 0.725955 0.835465 30 1 0 -1.111807 -1.661897 -0.937712 31 1 0 -0.958768 -1.760098 0.812762 32 1 0 -0.130908 -2.924651 -0.213502 33 7 0 2.425893 -6.986771 3.316987 34 1 0 2.247620 -5.518661 1.908996 35 6 0 1.177147 -7.604167 2.928830 36 6 0 3.255193 -7.700511 4.266760 37 1 0 0.560485 -7.778929 3.802791 38 1 0 1.341243 -8.555139 2.428717 39 1 0 0.635481 -6.953080 2.256255 40 1 0 2.616189 -8.188895 4.991648 41 1 0 3.903904 -7.005632 4.775594 42 1 0 3.866867 -8.451282 3.774609 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521382 0.000000 3 O 1.400280 2.426087 0.000000 4 N 6.055574 6.997378 6.661630 0.000000 5 C 4.816367 5.833416 5.488814 1.378583 0.000000 6 C 3.595992 4.580168 4.256604 2.471350 1.396749 7 N 3.629367 4.384293 4.111320 3.166690 2.560158 8 C 2.557186 3.211919 3.015149 4.359003 3.509745 9 N 1.445269 2.477845 2.294405 4.670394 3.503522 10 C 2.487840 3.609320 3.320667 3.673788 2.362491 11 N 2.993148 4.128160 3.861970 4.163921 2.790449 12 C 4.289795 5.395583 5.093831 3.519507 2.287862 13 N 5.064529 6.143256 5.808811 2.302415 1.331832 14 H 1.080925 2.138918 2.040029 6.155605 4.821575 15 H 2.143558 1.087152 2.705139 7.975576 6.759312 16 H 2.151688 1.084235 3.351916 6.810615 5.668999 17 N 2.982672 3.174559 3.130126 5.551715 4.834108 18 H 2.155838 1.079350 2.689002 7.170763 6.133451 19 H 1.930602 2.596139 0.947463 7.549886 6.337386 20 C 4.192949 4.414249 4.117758 5.749508 5.300059 21 H 4.984793 6.058822 5.777106 4.333657 3.237816 22 C 6.388192 7.313313 6.808935 1.269970 2.287675 23 H 5.846688 6.795474 6.102600 2.066993 2.554600 24 N 7.688574 8.554792 8.077538 2.296839 3.549379 25 C 8.665412 9.485739 9.196124 2.780279 4.157952 26 C 8.283219 9.082760 8.517998 3.600985 4.702588 27 H 9.609942 10.476461 10.058737 3.726356 5.097553 28 H 8.457132 9.337901 9.054372 2.409151 3.724873 29 H 8.881936 9.546885 9.517449 3.247369 4.559164 30 H 9.209578 10.076500 9.375056 4.325033 5.487652 31 H 8.621370 9.260291 8.936253 4.134714 5.229451 32 H 7.710599 8.535666 7.804618 3.795764 4.651774 33 N 5.130385 5.078187 4.923502 6.999903 6.619061 34 H 4.747686 5.205240 4.661526 5.111893 4.862567 35 C 6.424627 6.488551 6.069947 7.593413 7.414367 36 C 5.120971 4.700717 4.910908 8.068520 7.527987 37 H 7.213946 7.103965 6.954361 8.271083 8.167409 38 H 6.689541 6.813763 6.113525 8.267674 8.020893 39 H 6.637928 6.891774 6.324789 6.937537 6.913625 40 H 6.167099 5.636875 5.976064 8.873178 8.427850 41 H 4.582605 3.934005 4.632040 7.826191 7.200249 42 H 4.983969 4.631684 4.514940 8.535457 7.887970 6 7 8 9 10 6 C 0.000000 7 N 1.386231 0.000000 8 C 2.126771 1.290365 0.000000 9 N 2.200092 2.230534 1.379219 0.000000 10 C 1.383604 2.265998 2.193196 1.371625 0.000000 11 N 2.409787 3.539330 3.481557 2.413143 1.316781 12 C 2.631848 3.990357 4.318183 3.514128 2.185262 13 N 2.336414 3.689160 4.395474 3.984992 2.632566 14 H 3.812110 4.206241 3.341794 2.006694 2.484550 15 H 5.543092 5.416350 4.224584 3.398164 4.456226 16 H 4.531363 4.466057 3.471218 2.723782 3.595956 17 N 3.474897 2.385719 1.372174 2.375838 3.494261 18 H 4.794146 4.278150 3.041305 2.782279 4.075887 19 H 5.140868 5.044367 3.919717 3.123969 4.102207 20 C 4.065873 2.753679 2.249080 3.486060 4.419909 21 H 3.706807 5.064345 5.338825 4.420413 3.162521 22 C 2.884921 3.054899 4.330935 4.965855 4.232865 23 H 2.643864 2.457151 3.669115 4.457442 3.957867 24 N 4.210172 4.228034 5.509223 6.258484 5.569362 25 C 5.090018 5.319463 6.607624 7.232994 6.393982 26 C 5.063678 4.712640 5.911777 6.881896 6.429612 27 H 6.041162 6.234183 7.523851 8.181941 7.346866 28 H 4.869425 5.375994 6.635639 7.061956 6.064692 29 H 5.384008 5.504976 6.764326 7.445835 6.683814 30 H 5.966389 5.698418 6.890473 7.822412 7.313971 31 H 5.492937 4.994269 6.154668 7.217433 6.865160 32 H 4.758934 4.227562 5.325873 6.365980 6.066458 33 N 5.394386 4.068275 3.514789 4.658453 5.699811 34 H 3.799283 2.465398 2.473100 3.799254 4.446659 35 C 6.316200 4.963352 4.659013 5.875996 6.799017 36 C 6.210635 4.987012 4.143825 5.017447 6.243043 37 H 7.094365 5.714264 5.438752 6.675503 7.611504 38 H 6.896656 5.605317 5.196077 6.298451 7.271477 39 H 5.953635 4.620495 4.592094 5.887075 6.624266 40 H 7.147661 5.876500 5.128921 6.052458 7.254435 41 H 5.867014 4.737633 3.803470 4.539437 5.787762 42 H 6.533417 5.403157 4.431061 5.117722 6.405523 11 12 13 14 15 11 N 0.000000 12 C 1.320246 0.000000 13 N 2.372420 1.317526 0.000000 14 H 2.470230 3.783611 4.777545 0.000000 15 H 4.768351 6.067395 6.947999 2.462587 0.000000 16 H 4.008668 5.178260 5.910761 2.465365 1.755490 17 N 4.726908 5.658911 5.765728 3.993956 4.103662 18 H 4.843710 6.065976 6.648178 3.039845 1.763768 19 H 4.450631 5.712967 6.548352 2.303973 2.472773 20 C 5.709057 6.497829 6.396846 5.194697 5.295760 21 H 2.035819 1.075295 2.031391 4.293886 6.605861 22 C 4.977504 4.539059 3.419246 6.671144 8.324047 23 H 4.885551 4.705256 3.790920 6.253812 7.793639 24 N 6.295951 5.767919 4.562099 8.005900 9.585663 25 C 6.938907 6.203430 4.908592 8.875491 10.519087 26 C 7.319831 6.957204 5.830524 8.750157 10.120277 27 H 7.873554 7.097649 5.791291 9.825924 11.505310 28 H 6.420059 5.536256 4.221374 8.538008 10.335633 29 H 7.279221 6.605503 5.351047 9.131593 10.603775 30 H 8.132350 7.679728 6.510927 9.643983 11.098709 31 H 7.821256 7.516942 6.405770 9.149491 10.323769 32 H 7.050220 6.851096 5.849810 8.251906 9.545949 33 N 6.970111 7.810379 7.728268 6.188801 5.832332 34 H 5.747386 6.349574 6.055028 5.656294 6.130984 35 C 8.086629 8.822826 8.602128 7.465964 7.217292 36 C 7.425275 8.419848 8.524727 6.198375 5.269749 37 H 8.911652 9.638898 9.384190 8.269593 7.823374 38 H 8.514188 9.303438 9.156539 7.726620 7.429668 39 H 7.919308 8.515070 8.152789 7.624061 7.704944 40 H 8.451304 9.419373 9.470834 7.239223 6.159298 41 H 6.917329 7.946056 8.124232 5.629581 4.535007 42 H 7.513132 8.584550 8.803315 6.046198 5.028803 16 17 18 19 20 16 H 0.000000 17 N 3.627950 0.000000 18 H 1.766404 2.561674 0.000000 19 H 3.580553 3.914543 2.946671 0.000000 20 C 4.869433 1.273772 3.695858 4.894401 0.000000 21 H 5.799748 6.656577 6.834784 6.281699 7.537757 22 C 7.249461 5.329192 7.314457 7.738581 5.245980 23 H 6.872119 4.548325 6.705709 7.042612 4.356704 24 N 8.468997 6.368433 8.482547 9.015093 6.091817 25 C 9.266191 7.541431 9.489046 10.120178 7.355900 26 C 9.095119 6.507644 8.849903 9.462034 5.952294 27 H 10.298606 8.414376 10.457441 10.985396 8.131869 28 H 9.073013 7.709281 9.463621 9.949439 7.691373 29 H 9.238287 7.622913 9.505289 10.441716 7.434141 30 H 10.116763 7.488719 9.857935 10.311260 6.891187 31 H 9.207560 6.623932 8.950568 9.881369 6.005994 32 H 8.663487 5.809503 8.245948 8.738948 5.159672 33 N 5.585873 2.298991 4.167461 5.556489 1.338044 34 H 5.601498 2.057695 4.611777 5.513021 1.078864 35 C 7.020466 3.600861 5.590058 6.700103 2.419861 36 C 5.258364 2.774943 3.660278 5.342395 2.417506 37 H 7.556535 4.335118 6.140599 7.553638 3.212141 38 H 7.477150 4.115607 5.925608 6.653901 3.042839 39 H 7.369256 3.795634 6.089995 7.049235 2.523702 40 H 6.126037 3.778775 4.569472 6.365889 3.270035 41 H 4.367387 2.503950 2.870100 5.047370 2.588743 42 H 5.371290 3.095257 3.639231 4.812006 2.897504 21 22 23 24 25 21 H 0.000000 22 C 5.425054 0.000000 23 H 5.673090 1.077933 0.000000 24 N 6.584388 1.345090 2.036894 0.000000 25 C 6.876798 2.427170 3.365251 1.447549 0.000000 26 C 7.837393 2.423484 2.541310 1.442854 2.465286 27 H 7.723709 3.254053 4.078737 2.073546 1.084113 28 H 6.096212 2.549356 3.603108 2.071355 1.077291 29 H 7.300068 2.975840 3.872178 2.102974 1.087421 30 H 8.496619 3.216701 3.390236 2.083321 2.726764 31 H 8.425263 3.050852 3.191052 2.102504 2.781083 32 H 7.786804 2.526320 2.170836 2.080180 3.380721 33 N 8.841677 6.409798 5.510863 7.120777 8.386275 34 H 7.411174 4.436696 3.490492 5.184446 6.506350 35 C 9.871505 6.795526 5.851558 7.293070 8.603921 36 C 9.398291 7.620098 6.761805 8.414107 9.631859 37 H 10.696303 7.456700 6.581134 7.847594 9.086837 38 H 10.325396 7.463385 6.458791 7.992750 9.356990 39 H 9.575022 6.027821 5.085201 6.411556 7.738640 40 H 10.408795 8.356444 7.514243 9.040889 10.235104 41 H 8.894702 7.529054 6.765757 8.397193 9.527085 42 H 9.520123 8.115736 7.202079 8.982046 10.252715 26 27 28 29 30 26 C 0.000000 27 H 2.632585 0.000000 28 H 3.358290 1.766071 0.000000 29 H 2.861200 1.763500 1.760115 0.000000 30 H 1.084668 2.443210 3.624912 3.261971 0.000000 31 H 1.087782 2.990123 3.784992 2.754785 1.759893 32 H 1.081893 3.627156 4.137211 3.815220 1.755331 33 N 6.782661 9.109898 8.818200 8.394989 7.679327 34 H 4.948228 7.215832 6.907733 6.650376 5.853557 35 C 6.677826 9.189514 9.170506 8.641437 7.449834 36 C 8.164392 10.412310 10.001425 9.588766 9.089669 37 H 7.150527 9.657438 9.718849 9.013810 7.917513 38 H 7.356410 9.900967 9.899876 9.482457 8.054010 39 H 5.698258 8.258072 8.357600 7.820004 6.422699 40 H 8.670205 10.981488 10.681805 10.121905 9.573764 41 H 8.306047 10.382926 9.820900 9.424227 9.292725 42 H 8.760411 11.020589 10.571363 10.300645 9.648259 31 32 33 34 35 31 H 0.000000 32 H 1.759191 0.000000 33 N 6.711571 5.958390 0.000000 34 H 5.060578 4.109901 2.041951 0.000000 35 C 6.572140 5.786461 1.446102 2.556425 0.000000 36 C 8.060775 7.372061 1.448874 3.366709 2.473382 37 H 6.890191 6.338190 2.084051 3.397307 1.083800 38 H 7.353499 6.391475 2.103632 3.211204 1.086917 39 H 5.620709 4.786993 2.081313 2.185667 1.081514 40 H 8.460073 7.896353 2.070218 4.094964 2.582240 41 H 8.177118 7.604289 2.076634 3.629290 3.347236 42 H 8.765343 7.901322 2.104903 3.834414 2.944069 36 37 38 39 40 36 C 0.000000 37 H 2.735484 0.000000 38 H 2.787830 1.760729 0.000000 39 H 3.385806 1.754829 1.759101 0.000000 40 H 1.082731 2.409849 2.885869 3.596222 0.000000 41 H 1.078237 3.566901 3.804739 4.127036 1.762101 42 H 1.086285 3.374169 2.863737 3.871933 1.764717 41 42 41 H 0.000000 42 H 1.758762 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487908 -2.267152 0.147298 2 6 0 3.469182 -2.134880 -1.007782 3 8 0 3.046709 -1.861784 1.365577 4 7 0 -3.258701 -0.389446 -0.200099 5 6 0 -2.223591 -1.288576 -0.056548 6 6 0 -0.861938 -0.977708 -0.069541 7 7 0 -0.148180 0.204289 -0.192300 8 6 0 1.093330 -0.146057 -0.161418 9 7 0 1.272995 -1.508674 -0.046352 10 6 0 0.012858 -2.045211 0.028066 11 7 0 -0.315753 -3.315196 0.142363 12 6 0 -1.624737 -3.487187 0.147888 13 7 0 -2.566560 -2.571061 0.050124 14 1 0 2.153207 -3.292502 0.218224 15 1 0 4.321620 -2.786755 -0.833697 16 1 0 2.999211 -2.441650 -1.935460 17 7 0 2.190157 0.672608 -0.259497 18 1 0 3.817922 -1.117651 -1.100641 19 1 0 3.804650 -2.398499 1.553059 20 6 0 2.010975 1.897243 0.041604 21 1 0 -1.966592 -4.502569 0.239512 22 6 0 -3.115630 0.799379 0.223043 23 1 0 -2.225494 1.143866 0.723969 24 7 0 -4.078168 1.732827 0.115971 25 6 0 -5.303127 1.451382 -0.602126 26 6 0 -3.802732 3.114376 0.427876 27 1 0 -6.118159 1.999269 -0.142947 28 1 0 -5.508317 0.394721 -0.558313 29 1 0 -5.227880 1.750777 -1.644808 30 1 0 -4.611625 3.534446 1.015871 31 1 0 -3.690606 3.713580 -0.473041 32 1 0 -2.890184 3.191389 1.003913 33 7 0 2.953171 2.835826 -0.105675 34 1 0 1.070319 2.255115 0.430245 35 6 0 2.795410 4.140538 0.497688 36 6 0 4.273979 2.476705 -0.580787 37 1 0 3.088999 4.913149 -0.203383 38 1 0 3.402405 4.241320 1.393673 39 1 0 1.760187 4.301688 0.766049 40 1 0 4.745309 3.355641 -1.002244 41 1 0 4.191431 1.717768 -1.342229 42 1 0 4.895885 2.095835 0.224313 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211691 0.1991165 0.1278600 Standard basis: 6-31G(d) (6D, 7F) There are 370 symmetry adapted cartesian basis functions of A symmetry. There are 370 symmetry adapted basis functions of A symmetry. 370 basis functions, 696 primitive gaussians, 370 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1830.3195993447 Hartrees. NAtoms= 42 NActive= 42 NUniq= 42 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 370 RedAO= T EigKep= 5.91D-04 NBF= 370 NBsUse= 370 1.00D-06 EigRej= -1.00D+00 NBFU= 370 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000000 0.000003 -0.000004 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1014.37963451 A.U. after 7 cycles NFock= 7 Conv=0.48D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000001091 0.000007416 0.000001698 2 6 -0.000000803 -0.000001864 -0.000000641 3 8 -0.000000964 -0.000003253 0.000000605 4 7 0.000004738 0.000004136 0.000002235 5 6 -0.000011063 -0.000008384 0.000002272 6 6 0.000002830 -0.000002030 0.000001232 7 7 -0.000007769 0.000003259 -0.000002608 8 6 0.000010024 -0.000001758 0.000003063 9 7 -0.000006851 -0.000010766 0.000003698 10 6 0.000003022 0.000010420 -0.000007275 11 7 0.000000651 -0.000011459 0.000006608 12 6 -0.000006553 0.000010420 -0.000005945 13 7 0.000011627 0.000003588 -0.000001758 14 1 0.000000807 -0.000000319 0.000000791 15 1 -0.000000051 0.000000311 -0.000000688 16 1 -0.000000023 -0.000000142 0.000000246 17 7 0.000005124 0.000001182 -0.000002471 18 1 0.000000315 0.000000048 0.000000009 19 1 0.000000871 0.000000494 -0.000001146 20 6 -0.000008126 0.000000228 0.000003908 21 1 0.000000361 -0.000000535 0.000000370 22 6 -0.000005382 -0.000002449 0.000001064 23 1 0.000000791 -0.000000068 -0.000000154 24 7 0.000003116 0.000000183 -0.000006156 25 6 0.000000087 -0.000000116 0.000001820 26 6 -0.000000709 -0.000000371 0.000001587 27 1 -0.000000077 -0.000000491 -0.000000423 28 1 0.000000068 -0.000000565 0.000000578 29 1 -0.000000534 -0.000000017 0.000000236 30 1 -0.000000114 -0.000000112 0.000000121 31 1 0.000000205 0.000000362 0.000000001 32 1 -0.000000205 -0.000000017 0.000000876 33 7 0.000004980 -0.000002405 -0.000001889 34 1 0.000001066 0.000000067 -0.000001578 35 6 -0.000003819 0.000003317 0.000000072 36 6 0.000000422 0.000001901 0.000000330 37 1 -0.000000131 -0.000001274 -0.000000111 38 1 0.000001172 0.000001666 0.000000459 39 1 -0.000000935 -0.000000617 -0.000000940 40 1 -0.000000020 -0.000000191 -0.000000876 41 1 -0.000000149 -0.000000114 0.000000777 42 1 0.000000909 0.000000316 0.000000001 ------------------------------------------------------------------- Cartesian Forces: Max 0.000011627 RMS 0.000003645 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000010084 RMS 0.000001957 Search for a local minimum. Step number 35 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 DE= -1.09D-08 DEPred=-8.89D-09 R= 1.23D+00 Trust test= 1.23D+00 RLast= 1.65D-03 DXMaxT set to 1.67D+00 ITU= 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00047 0.00092 0.00135 0.00248 0.00393 Eigenvalues --- 0.00457 0.00613 0.00674 0.00812 0.01221 Eigenvalues --- 0.01348 0.01491 0.02094 0.02159 0.02298 Eigenvalues --- 0.02491 0.02549 0.02589 0.02622 0.02765 Eigenvalues --- 0.03252 0.03275 0.03436 0.04008 0.04897 Eigenvalues --- 0.05453 0.05694 0.05703 0.05845 0.06592 Eigenvalues --- 0.06920 0.07413 0.07487 0.07583 0.07600 Eigenvalues --- 0.07699 0.07809 0.07960 0.08113 0.08525 Eigenvalues --- 0.15569 0.15782 0.15876 0.15945 0.15987 Eigenvalues --- 0.15991 0.15994 0.16003 0.16008 0.16023 Eigenvalues --- 0.16028 0.16057 0.16071 0.16119 0.16234 Eigenvalues --- 0.16399 0.16890 0.17631 0.18147 0.19306 Eigenvalues --- 0.21032 0.22141 0.22552 0.23202 0.23490 Eigenvalues --- 0.23670 0.24202 0.24526 0.24906 0.25114 Eigenvalues --- 0.25140 0.25783 0.26259 0.26493 0.27577 Eigenvalues --- 0.28819 0.32533 0.32829 0.33025 0.33210 Eigenvalues --- 0.33353 0.33425 0.33546 0.33563 0.33636 Eigenvalues --- 0.33648 0.33691 0.33701 0.33768 0.33794 Eigenvalues --- 0.33892 0.34081 0.34772 0.36184 0.37317 Eigenvalues --- 0.37566 0.39134 0.39786 0.39942 0.40254 Eigenvalues --- 0.40656 0.40927 0.41051 0.41824 0.42960 Eigenvalues --- 0.46620 0.46874 0.48223 0.50600 0.51566 Eigenvalues --- 0.53083 0.54757 0.58715 0.60198 0.63948 Eigenvalues --- 0.66289 0.71070 0.75287 0.75462 0.84339 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 35 34 33 32 31 30 29 28 27 26 RFO step: Lambda=-1.93024474D-09. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.55454 -0.55454 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00019912 RMS(Int)= 0.00000002 Iteration 2 RMS(Cart)= 0.00000003 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87500 -0.00000 0.00000 -0.00000 -0.00000 2.87499 R2 2.64615 0.00000 -0.00000 0.00001 0.00000 2.64615 R3 2.73116 -0.00000 0.00000 -0.00000 0.00000 2.73116 R4 2.04265 0.00000 0.00000 -0.00000 0.00000 2.04265 R5 2.05442 -0.00000 -0.00000 0.00000 -0.00000 2.05442 R6 2.04891 0.00000 0.00000 -0.00000 -0.00000 2.04891 R7 2.03968 -0.00000 -0.00000 -0.00000 -0.00000 2.03967 R8 1.79045 0.00000 -0.00000 0.00000 0.00000 1.79045 R9 2.60514 -0.00000 -0.00000 -0.00000 -0.00000 2.60514 R10 2.39989 0.00000 -0.00000 0.00001 0.00000 2.39990 R11 2.63947 -0.00000 0.00002 -0.00001 0.00000 2.63948 R12 2.51680 0.00001 -0.00002 0.00002 0.00000 2.51680 R13 2.61960 -0.00000 -0.00001 0.00000 -0.00001 2.61959 R14 2.61463 -0.00000 -0.00001 0.00000 -0.00001 2.61462 R15 2.43844 0.00000 0.00001 0.00000 0.00002 2.43845 R16 2.60635 -0.00000 -0.00002 -0.00001 -0.00002 2.60632 R17 2.59303 -0.00000 0.00001 -0.00001 0.00001 2.59304 R18 2.59200 0.00001 0.00001 0.00001 0.00002 2.59202 R19 2.48835 -0.00000 0.00001 -0.00001 -0.00001 2.48835 R20 2.49490 0.00001 -0.00001 0.00002 0.00001 2.49492 R21 2.48976 -0.00000 0.00001 -0.00001 -0.00001 2.48976 R22 2.03201 -0.00000 -0.00000 -0.00000 -0.00000 2.03201 R23 2.40708 0.00000 0.00000 0.00001 0.00001 2.40709 R24 2.52854 -0.00000 0.00000 -0.00001 -0.00000 2.52853 R25 2.03876 0.00000 -0.00000 -0.00000 -0.00000 2.03876 R26 2.03700 0.00000 -0.00000 -0.00000 -0.00000 2.03700 R27 2.54185 -0.00000 0.00001 -0.00001 -0.00000 2.54185 R28 2.73547 -0.00000 0.00000 -0.00000 0.00000 2.73547 R29 2.72660 0.00000 0.00000 0.00000 0.00000 2.72660 R30 2.04868 0.00000 -0.00000 0.00000 -0.00000 2.04868 R31 2.03578 -0.00000 -0.00000 0.00000 0.00000 2.03578 R32 2.05493 0.00000 0.00000 -0.00000 -0.00000 2.05493 R33 2.04973 -0.00000 0.00000 0.00000 0.00000 2.04973 R34 2.05561 -0.00000 -0.00000 -0.00000 -0.00000 2.05561 R35 2.04448 -0.00000 -0.00000 -0.00000 -0.00000 2.04448 R36 2.73274 0.00000 -0.00000 0.00001 0.00000 2.73274 R37 2.73797 -0.00000 0.00000 -0.00000 0.00000 2.73798 R38 2.04809 0.00000 -0.00000 -0.00000 -0.00000 2.04808 R39 2.05398 -0.00000 0.00000 -0.00000 -0.00000 2.05398 R40 2.04377 0.00000 0.00000 0.00000 0.00000 2.04377 R41 2.04606 -0.00000 -0.00000 -0.00000 -0.00000 2.04606 R42 2.03757 0.00000 0.00000 0.00000 0.00000 2.03758 R43 2.05278 0.00000 -0.00000 -0.00000 -0.00000 2.05278 A1 1.95842 -0.00000 0.00000 -0.00002 -0.00002 1.95840 A2 1.97668 0.00000 0.00001 0.00002 0.00002 1.97670 A3 1.90923 -0.00000 -0.00001 -0.00000 -0.00001 1.90922 A4 1.87560 -0.00000 0.00001 -0.00000 0.00000 1.87561 A5 1.91887 0.00000 -0.00000 -0.00000 -0.00000 1.91886 A6 1.81968 -0.00000 -0.00001 0.00001 0.00000 1.81968 A7 1.90925 -0.00000 -0.00001 -0.00001 -0.00001 1.90924 A8 1.92349 0.00000 0.00001 0.00000 0.00001 1.92350 A9 1.93441 0.00000 -0.00000 0.00000 0.00000 1.93441 A10 1.88308 0.00000 0.00000 -0.00000 -0.00000 1.88308 A11 1.90238 0.00000 0.00000 0.00000 0.00000 1.90238 A12 1.91038 -0.00000 0.00000 -0.00000 0.00000 1.91038 A13 1.90435 0.00000 -0.00000 0.00000 0.00000 1.90436 A14 2.08433 -0.00001 -0.00000 -0.00001 -0.00001 2.08432 A15 2.19673 -0.00000 0.00000 -0.00000 -0.00000 2.19673 A16 2.02977 0.00000 -0.00000 0.00001 0.00000 2.02978 A17 2.05569 -0.00000 0.00000 -0.00001 -0.00000 2.05568 A18 2.33582 -0.00000 0.00000 -0.00001 -0.00000 2.33581 A19 2.03085 0.00000 -0.00001 0.00000 -0.00000 2.03085 A20 1.91619 0.00000 0.00000 0.00000 0.00001 1.91620 A21 1.83565 -0.00000 -0.00000 -0.00001 -0.00001 1.83564 A22 1.97749 0.00000 -0.00000 0.00001 0.00001 1.97749 A23 2.22103 -0.00001 0.00001 -0.00002 -0.00001 2.22102 A24 2.08435 0.00000 -0.00001 0.00001 0.00000 2.08435 A25 2.26421 0.00000 0.00001 0.00001 0.00002 2.26423 A26 2.16486 -0.00000 -0.00001 -0.00001 -0.00002 2.16484 A27 1.84555 -0.00000 0.00000 -0.00000 -0.00000 1.84555 A28 1.84963 -0.00000 -0.00000 -0.00000 -0.00001 1.84963 A29 2.20490 0.00000 0.00001 0.00000 0.00001 2.20492 A30 2.22843 -0.00000 -0.00001 0.00000 -0.00001 2.22843 A31 1.95350 -0.00000 -0.00000 -0.00000 -0.00001 1.95350 A32 2.23680 -0.00000 -0.00001 0.00000 -0.00000 2.23680 A33 2.02481 -0.00000 0.00000 -0.00001 -0.00000 2.02481 A34 2.02156 0.00000 0.00000 0.00001 0.00001 2.02157 A35 2.08453 -0.00000 0.00001 -0.00000 0.00001 2.08454 A36 2.03115 -0.00001 0.00001 -0.00002 -0.00001 2.03114 A37 2.15235 0.00000 -0.00001 0.00000 -0.00001 2.15234 A38 2.12553 -0.00000 0.00001 -0.00001 0.00000 2.12554 A39 2.00526 0.00000 0.00000 0.00001 0.00001 2.00527 A40 2.14961 -0.00000 0.00001 -0.00001 -0.00000 2.14961 A41 2.14419 0.00000 -0.00001 0.00001 -0.00000 2.14419 A42 1.98902 0.00000 0.00000 0.00000 0.00000 1.98902 A43 2.10612 0.00000 -0.00001 0.00001 -0.00000 2.10612 A44 2.10676 0.00000 0.00000 0.00001 0.00001 2.10677 A45 2.04311 -0.00000 -0.00003 0.00000 -0.00002 2.04309 A46 1.90479 -0.00000 -0.00001 0.00000 -0.00000 1.90478 A47 1.90891 -0.00000 0.00000 0.00001 0.00001 1.90892 A48 1.94290 0.00000 0.00000 -0.00001 -0.00001 1.94289 A49 1.91270 0.00000 0.00000 0.00000 0.00000 1.91270 A50 1.89548 0.00000 0.00000 -0.00000 0.00000 1.89548 A51 1.89888 0.00000 0.00000 0.00000 0.00000 1.89888 A52 1.92373 0.00000 0.00001 0.00001 0.00002 1.92374 A53 1.94774 -0.00000 -0.00001 -0.00001 -0.00002 1.94772 A54 1.92226 0.00000 0.00000 0.00000 0.00000 1.92226 A55 1.88863 0.00000 0.00000 -0.00000 -0.00000 1.88863 A56 1.88896 0.00000 0.00000 0.00000 0.00001 1.88896 A57 1.89106 -0.00000 -0.00000 -0.00000 -0.00001 1.89105 A58 2.10613 -0.00000 -0.00000 -0.00000 -0.00001 2.10613 A59 2.09919 -0.00000 -0.00001 -0.00001 -0.00002 2.09917 A60 2.04868 0.00000 -0.00001 0.00003 0.00002 2.04869 A61 1.92168 0.00000 0.00000 -0.00000 0.00000 1.92168 A62 1.94623 -0.00000 0.00000 -0.00000 -0.00000 1.94623 A63 1.92026 0.00000 -0.00000 0.00000 0.00000 1.92026 A64 1.89215 0.00000 0.00000 -0.00000 -0.00000 1.89215 A65 1.88976 -0.00000 -0.00000 0.00000 -0.00000 1.88976 A66 1.89251 -0.00000 -0.00000 -0.00000 -0.00000 1.89251 A67 1.89998 -0.00000 -0.00000 -0.00001 -0.00001 1.89997 A68 1.91372 0.00000 0.00000 0.00000 0.00001 1.91373 A69 1.94526 0.00000 -0.00000 0.00000 0.00000 1.94526 A70 1.90691 -0.00000 -0.00000 0.00000 -0.00000 1.90691 A71 1.90064 0.00000 0.00001 -0.00000 0.00001 1.90065 A72 1.89699 -0.00000 -0.00000 -0.00000 -0.00001 1.89698 D1 1.08966 -0.00000 0.00001 0.00003 0.00003 1.08970 D2 -3.12590 -0.00000 0.00001 0.00002 0.00003 -3.12587 D3 -1.00844 0.00000 0.00001 0.00003 0.00004 -1.00840 D4 -3.06615 -0.00000 0.00002 0.00002 0.00004 -3.06611 D5 -0.99853 -0.00000 0.00002 0.00002 0.00004 -0.99849 D6 1.11893 -0.00000 0.00003 0.00002 0.00005 1.11897 D7 -1.04479 0.00000 0.00001 0.00005 0.00006 -1.04473 D8 1.02284 0.00000 0.00001 0.00004 0.00005 1.02289 D9 3.14030 0.00000 0.00001 0.00004 0.00006 3.14036 D10 -1.04343 -0.00000 -0.00011 -0.00003 -0.00014 -1.04357 D11 3.05571 -0.00000 -0.00013 -0.00003 -0.00016 3.05555 D12 1.08553 -0.00000 -0.00012 -0.00004 -0.00016 1.08537 D13 -1.10464 0.00000 0.00001 0.00009 0.00010 -1.10454 D14 2.19791 0.00000 -0.00003 0.00009 0.00006 2.19796 D15 1.06840 0.00000 0.00002 0.00007 0.00009 1.06850 D16 -1.91223 -0.00000 -0.00002 0.00007 0.00005 -1.91218 D17 3.10473 0.00000 0.00002 0.00007 0.00009 3.10482 D18 0.12409 0.00000 -0.00002 0.00007 0.00005 0.12414 D19 -0.54703 0.00000 -0.00001 0.00001 0.00000 -0.54703 D20 2.64380 0.00000 -0.00001 0.00004 0.00003 2.64383 D21 -0.03379 0.00000 -0.00001 0.00001 0.00000 -0.03379 D22 3.13884 0.00000 0.00003 -0.00002 0.00001 3.13885 D23 0.02155 0.00000 -0.00000 0.00001 0.00001 0.02156 D24 -3.08940 0.00000 -0.00001 0.00002 0.00001 -3.08939 D25 3.11325 -0.00000 0.00000 -0.00002 -0.00001 3.11323 D26 0.00230 -0.00000 -0.00001 -0.00001 -0.00001 0.00228 D27 3.10485 -0.00000 0.00001 -0.00001 -0.00001 3.10484 D28 0.00835 0.00000 0.00000 0.00001 0.00001 0.00837 D29 -3.11815 0.00000 0.00000 -0.00000 -0.00000 -3.11815 D30 -0.00574 0.00000 0.00001 -0.00001 -0.00000 -0.00574 D31 3.11016 -0.00000 0.00001 -0.00001 -0.00000 3.11016 D32 -0.01057 0.00000 0.00001 -0.00000 0.00001 -0.01056 D33 -0.00794 0.00000 0.00001 -0.00001 -0.00000 -0.00794 D34 -3.12867 0.00000 -0.00000 0.00001 0.00001 -3.12866 D35 0.01779 -0.00000 -0.00002 0.00002 0.00001 0.01780 D36 3.13178 0.00000 0.00001 0.00002 0.00002 3.13180 D37 -3.02623 0.00000 -0.00001 -0.00003 -0.00004 -3.02627 D38 -0.02306 0.00000 0.00002 -0.00003 -0.00001 -0.02307 D39 0.14058 -0.00000 -0.00003 -0.00003 -0.00006 0.14053 D40 -3.13943 -0.00000 0.00000 -0.00002 -0.00002 -3.13945 D41 0.38951 -0.00000 -0.00032 0.00006 -0.00026 0.38925 D42 -2.78119 -0.00000 -0.00030 0.00005 -0.00024 -2.78143 D43 3.03079 0.00000 0.00001 0.00002 0.00004 3.03083 D44 -0.13204 0.00000 0.00002 0.00001 0.00003 -0.13201 D45 0.01761 -0.00000 -0.00002 0.00002 0.00000 0.01761 D46 3.13796 -0.00000 -0.00001 0.00001 -0.00000 3.13796 D47 0.00673 -0.00000 -0.00000 0.00000 -0.00000 0.00673 D48 -3.10952 0.00000 -0.00001 0.00002 0.00001 -3.10951 D49 0.00580 0.00000 -0.00000 0.00001 0.00000 0.00580 D50 -3.14070 -0.00000 -0.00001 0.00000 -0.00000 -3.14071 D51 -0.01359 -0.00000 0.00000 -0.00001 -0.00001 -0.01360 D52 3.13290 0.00000 0.00001 -0.00001 -0.00000 3.13290 D53 -3.04578 -0.00000 -0.00000 -0.00004 -0.00004 -3.04582 D54 0.08526 0.00000 -0.00004 0.00003 -0.00001 0.08525 D55 -2.92024 0.00000 0.00005 0.00000 0.00005 -2.92018 D56 -0.04254 0.00000 -0.00008 0.00007 -0.00001 -0.04255 D57 0.23125 -0.00000 0.00008 -0.00006 0.00002 0.23127 D58 3.10894 -0.00000 -0.00005 0.00001 -0.00004 3.10890 D59 -0.09391 -0.00000 -0.00007 0.00004 -0.00003 -0.09394 D60 -2.97977 0.00000 0.00008 -0.00004 0.00004 -2.97973 D61 3.07612 -0.00000 -0.00004 0.00001 -0.00003 3.07609 D62 0.19025 0.00000 0.00012 -0.00007 0.00005 0.19030 D63 2.57996 0.00000 0.00013 -0.00010 0.00003 2.57999 D64 0.48764 0.00000 0.00014 -0.00011 0.00003 0.48767 D65 -1.61125 0.00000 0.00013 -0.00011 0.00002 -1.61123 D66 -0.80834 -0.00000 -0.00001 -0.00002 -0.00004 -0.80838 D67 -2.90066 -0.00000 -0.00001 -0.00003 -0.00004 -2.90070 D68 1.28363 -0.00000 -0.00002 -0.00003 -0.00004 1.28358 D69 -2.37794 -0.00000 0.00013 0.00008 0.00021 -2.37773 D70 1.80622 -0.00000 0.00013 0.00008 0.00021 1.80643 D71 -0.29488 0.00000 0.00014 0.00009 0.00023 -0.29465 D72 1.01047 0.00000 0.00028 -0.00000 0.00028 1.01075 D73 -1.08856 0.00000 0.00028 -0.00000 0.00028 -1.08828 D74 3.09352 0.00000 0.00029 0.00001 0.00030 3.09382 D75 -2.38377 -0.00000 -0.00004 -0.00013 -0.00016 -2.38393 D76 1.79832 -0.00000 -0.00004 -0.00012 -0.00016 1.79816 D77 -0.30226 0.00000 -0.00004 -0.00012 -0.00016 -0.30243 D78 1.01432 -0.00000 0.00009 -0.00019 -0.00010 1.01422 D79 -1.08678 -0.00000 0.00009 -0.00018 -0.00010 -1.08687 D80 3.09582 0.00000 0.00009 -0.00019 -0.00010 3.09573 D81 2.75143 0.00000 0.00021 0.00008 0.00030 2.75172 D82 0.66618 0.00000 0.00021 0.00009 0.00030 0.66648 D83 -1.43503 0.00000 0.00022 0.00008 0.00030 -1.43473 D84 -0.64559 0.00000 0.00009 0.00015 0.00023 -0.64536 D85 -2.73083 0.00000 0.00009 0.00015 0.00024 -2.73060 D86 1.45113 0.00000 0.00009 0.00014 0.00024 1.45137 Item Value Threshold Converged? Maximum Force 0.000010 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.000878 0.001800 YES RMS Displacement 0.000199 0.001200 YES Predicted change in Energy=-2.716299D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5214 -DE/DX = 0.0 ! ! R2 R(1,3) 1.4003 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4453 -DE/DX = 0.0 ! ! R4 R(1,14) 1.0809 -DE/DX = 0.0 ! ! R5 R(2,15) 1.0872 -DE/DX = 0.0 ! ! R6 R(2,16) 1.0842 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0794 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9475 -DE/DX = 0.0 ! ! R9 R(4,5) 1.3786 -DE/DX = 0.0 ! ! R10 R(4,22) 1.27 -DE/DX = 0.0 ! ! R11 R(5,6) 1.3967 -DE/DX = 0.0 ! ! R12 R(5,13) 1.3318 -DE/DX = 0.0 ! ! R13 R(6,7) 1.3862 -DE/DX = 0.0 ! ! R14 R(6,10) 1.3836 -DE/DX = 0.0 ! ! R15 R(7,8) 1.2904 -DE/DX = 0.0 ! ! R16 R(8,9) 1.3792 -DE/DX = 0.0 ! ! R17 R(8,17) 1.3722 -DE/DX = 0.0 ! ! R18 R(9,10) 1.3716 -DE/DX = 0.0 ! ! R19 R(10,11) 1.3168 -DE/DX = 0.0 ! ! R20 R(11,12) 1.3202 -DE/DX = 0.0 ! ! R21 R(12,13) 1.3175 -DE/DX = 0.0 ! ! R22 R(12,21) 1.0753 -DE/DX = 0.0 ! ! R23 R(17,20) 1.2738 -DE/DX = 0.0 ! ! R24 R(20,33) 1.338 -DE/DX = 0.0 ! ! R25 R(20,34) 1.0789 -DE/DX = 0.0 ! ! R26 R(22,23) 1.0779 -DE/DX = 0.0 ! ! R27 R(22,24) 1.3451 -DE/DX = 0.0 ! ! R28 R(24,25) 1.4475 -DE/DX = 0.0 ! ! R29 R(24,26) 1.4429 -DE/DX = 0.0 ! ! R30 R(25,27) 1.0841 -DE/DX = 0.0 ! ! R31 R(25,28) 1.0773 -DE/DX = 0.0 ! ! R32 R(25,29) 1.0874 -DE/DX = 0.0 ! ! R33 R(26,30) 1.0847 -DE/DX = 0.0 ! ! R34 R(26,31) 1.0878 -DE/DX = 0.0 ! ! R35 R(26,32) 1.0819 -DE/DX = 0.0 ! ! R36 R(33,35) 1.4461 -DE/DX = 0.0 ! ! R37 R(33,36) 1.4489 -DE/DX = 0.0 ! ! R38 R(35,37) 1.0838 -DE/DX = 0.0 ! ! R39 R(35,38) 1.0869 -DE/DX = 0.0 ! ! R40 R(35,39) 1.0815 -DE/DX = 0.0 ! ! R41 R(36,40) 1.0827 -DE/DX = 0.0 ! ! R42 R(36,41) 1.0782 -DE/DX = 0.0 ! ! R43 R(36,42) 1.0863 -DE/DX = 0.0 ! ! A1 A(2,1,3) 112.2092 -DE/DX = 0.0 ! ! A2 A(2,1,9) 113.2554 -DE/DX = 0.0 ! ! A3 A(2,1,14) 109.3906 -DE/DX = 0.0 ! ! A4 A(3,1,9) 107.464 -DE/DX = 0.0 ! ! A5 A(3,1,14) 109.9431 -DE/DX = 0.0 ! ! A6 A(9,1,14) 104.2599 -DE/DX = 0.0 ! ! A7 A(1,2,15) 109.392 -DE/DX = 0.0 ! ! A8 A(1,2,16) 110.2079 -DE/DX = 0.0 ! ! A9 A(1,2,18) 110.8335 -DE/DX = 0.0 ! ! A10 A(15,2,16) 107.8924 -DE/DX = 0.0 ! ! A11 A(15,2,18) 108.9982 -DE/DX = 0.0 ! ! A12 A(16,2,18) 109.4567 -DE/DX = 0.0 ! ! A13 A(1,3,19) 109.1115 -DE/DX = 0.0 ! ! A14 A(5,4,22) 119.4232 -DE/DX = 0.0 ! ! A15 A(4,5,6) 125.8634 -DE/DX = 0.0 ! ! A16 A(4,5,13) 116.2974 -DE/DX = 0.0 ! ! A17 A(6,5,13) 117.7821 -DE/DX = 0.0 ! ! A18 A(5,6,7) 133.8325 -DE/DX = 0.0 ! ! A19 A(5,6,10) 116.3593 -DE/DX = 0.0 ! ! A20 A(7,6,10) 109.7897 -DE/DX = 0.0 ! ! A21 A(6,7,8) 105.1751 -DE/DX = 0.0 ! ! A22 A(7,8,9) 113.3016 -DE/DX = 0.0 ! ! A23 A(7,8,17) 127.2557 -DE/DX = 0.0 ! ! A24 A(9,8,17) 119.4244 -DE/DX = 0.0 ! ! A25 A(1,9,8) 129.7296 -DE/DX = 0.0 ! ! A26 A(1,9,10) 124.0372 -DE/DX = 0.0 ! ! A27 A(8,9,10) 105.7422 -DE/DX = 0.0 ! ! A28 A(6,10,9) 105.9762 -DE/DX = 0.0 ! ! A29 A(6,10,11) 126.3317 -DE/DX = 0.0 ! ! A30 A(9,10,11) 127.6799 -DE/DX = 0.0 ! ! A31 A(10,11,12) 111.9275 -DE/DX = 0.0 ! ! A32 A(11,12,13) 128.1593 -DE/DX = 0.0 ! ! A33 A(11,12,21) 116.013 -DE/DX = 0.0 ! ! A34 A(13,12,21) 115.8271 -DE/DX = 0.0 ! ! A35 A(5,13,12) 119.4349 -DE/DX = 0.0 ! ! A36 A(8,17,20) 116.3763 -DE/DX = 0.0 ! ! A37 A(17,20,33) 123.3208 -DE/DX = 0.0 ! ! A38 A(17,20,34) 121.784 -DE/DX = 0.0 ! ! A39 A(33,20,34) 114.8927 -DE/DX = 0.0 ! ! A40 A(4,22,23) 123.1633 -DE/DX = 0.0 ! ! A41 A(4,22,24) 122.8531 -DE/DX = 0.0 ! ! A42 A(23,22,24) 113.9624 -DE/DX = 0.0 ! ! A43 A(22,24,25) 120.6717 -DE/DX = 0.0 ! ! A44 A(22,24,26) 120.7084 -DE/DX = 0.0 ! ! A45 A(25,24,26) 117.0616 -DE/DX = 0.0 ! ! A46 A(24,25,27) 109.1364 -DE/DX = 0.0 ! ! A47 A(24,25,28) 109.3726 -DE/DX = 0.0 ! ! A48 A(24,25,29) 111.3202 -DE/DX = 0.0 ! ! A49 A(27,25,28) 109.5896 -DE/DX = 0.0 ! ! A50 A(27,25,29) 108.6028 -DE/DX = 0.0 ! ! A51 A(28,25,29) 108.7978 -DE/DX = 0.0 ! ! A52 A(24,26,30) 110.2214 -DE/DX = 0.0 ! ! A53 A(24,26,31) 111.5976 -DE/DX = 0.0 ! ! A54 A(24,26,32) 110.1374 -DE/DX = 0.0 ! ! A55 A(30,26,31) 108.2106 -DE/DX = 0.0 ! ! A56 A(30,26,32) 108.2294 -DE/DX = 0.0 ! ! A57 A(31,26,32) 108.3497 -DE/DX = 0.0 ! ! A58 A(20,33,35) 120.6726 -DE/DX = 0.0 ! ! A59 A(20,33,36) 120.2748 -DE/DX = 0.0 ! ! A60 A(35,33,36) 117.3805 -DE/DX = 0.0 ! ! A61 A(33,35,37) 110.1041 -DE/DX = 0.0 ! ! A62 A(33,35,38) 111.5106 -DE/DX = 0.0 ! ! A63 A(33,35,39) 110.0225 -DE/DX = 0.0 ! ! A64 A(37,35,38) 108.4124 -DE/DX = 0.0 ! ! A65 A(37,35,39) 108.2753 -DE/DX = 0.0 ! ! A66 A(38,35,39) 108.4327 -DE/DX = 0.0 ! ! A67 A(33,36,40) 108.861 -DE/DX = 0.0 ! ! A68 A(33,36,41) 109.6482 -DE/DX = 0.0 ! ! A69 A(33,36,42) 111.4551 -DE/DX = 0.0 ! ! A70 A(40,36,41) 109.2581 -DE/DX = 0.0 ! ! A71 A(40,36,42) 108.8988 -DE/DX = 0.0 ! ! A72 A(41,36,42) 108.6893 -DE/DX = 0.0 ! ! D1 D(3,1,2,15) 62.4331 -DE/DX = 0.0 ! ! D2 D(3,1,2,16) -179.1009 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -57.7793 -DE/DX = 0.0 ! ! D4 D(9,1,2,15) -175.6777 -DE/DX = 0.0 ! ! D5 D(9,1,2,16) -57.2117 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 64.1098 -DE/DX = 0.0 ! ! D7 D(14,1,2,15) -59.8618 -DE/DX = 0.0 ! ! D8 D(14,1,2,16) 58.6042 -DE/DX = 0.0 ! ! D9 D(14,1,2,18) 179.9258 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) -59.7842 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) 175.0793 -DE/DX = 0.0 ! ! D12 D(14,1,3,19) 62.1963 -DE/DX = 0.0 ! ! D13 D(2,1,9,8) -63.2913 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) 125.9308 -DE/DX = 0.0 ! ! D15 D(3,1,9,8) 61.215 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) -109.5628 -DE/DX = 0.0 ! ! D17 D(14,1,9,8) 177.8878 -DE/DX = 0.0 ! ! D18 D(14,1,9,10) 7.1099 -DE/DX = 0.0 ! ! D19 D(22,4,5,6) -31.3426 -DE/DX = 0.0 ! ! D20 D(22,4,5,13) 151.4787 -DE/DX = 0.0 ! ! D21 D(5,4,22,23) -1.9359 -DE/DX = 0.0 ! ! D22 D(5,4,22,24) 179.8424 -DE/DX = 0.0 ! ! D23 D(4,5,6,7) 1.2348 -DE/DX = 0.0 ! ! D24 D(4,5,6,10) -177.0096 -DE/DX = 0.0 ! ! D25 D(13,5,6,7) 178.376 -DE/DX = 0.0 ! ! D26 D(13,5,6,10) 0.1316 -DE/DX = 0.0 ! ! D27 D(4,5,13,12) 177.8946 -DE/DX = 0.0 ! ! D28 D(6,5,13,12) 0.4787 -DE/DX = 0.0 ! ! D29 D(5,6,7,8) -178.6568 -DE/DX = 0.0 ! ! D30 D(10,6,7,8) -0.3286 -DE/DX = 0.0 ! ! D31 D(5,6,10,9) 178.1991 -DE/DX = 0.0 ! ! D32 D(5,6,10,11) -0.6055 -DE/DX = 0.0 ! ! D33 D(7,6,10,9) -0.4551 -DE/DX = 0.0 ! ! D34 D(7,6,10,11) -179.2596 -DE/DX = 0.0 ! ! D35 D(6,7,8,9) 1.0195 -DE/DX = 0.0 ! ! D36 D(6,7,8,17) 179.4378 -DE/DX = 0.0 ! ! D37 D(7,8,9,1) -173.3905 -DE/DX = 0.0 ! ! D38 D(7,8,9,10) -1.3215 -DE/DX = 0.0 ! ! D39 D(17,8,9,1) 8.0549 -DE/DX = 0.0 ! ! D40 D(17,8,9,10) -179.8761 -DE/DX = 0.0 ! ! D41 D(7,8,17,20) 22.3173 -DE/DX = 0.0 ! ! D42 D(9,8,17,20) -159.3506 -DE/DX = 0.0 ! ! D43 D(1,9,10,6) 173.6517 -DE/DX = 0.0 ! ! D44 D(1,9,10,11) -7.5651 -DE/DX = 0.0 ! ! D45 D(8,9,10,6) 1.009 -DE/DX = 0.0 ! ! D46 D(8,9,10,11) 179.7921 -DE/DX = 0.0 ! ! D47 D(6,10,11,12) 0.3853 -DE/DX = 0.0 ! ! D48 D(9,10,11,12) -178.1624 -DE/DX = 0.0 ! ! D49 D(10,11,12,13) 0.3323 -DE/DX = 0.0 ! ! D50 D(10,11,12,21) -179.949 -DE/DX = 0.0 ! ! D51 D(11,12,13,5) -0.7788 -DE/DX = 0.0 ! ! D52 D(21,12,13,5) 179.502 -DE/DX = 0.0 ! ! D53 D(8,17,20,33) -174.5104 -DE/DX = 0.0 ! ! D54 D(8,17,20,34) 4.8848 -DE/DX = 0.0 ! ! D55 D(17,20,33,35) -167.3172 -DE/DX = 0.0 ! ! D56 D(17,20,33,36) -2.4375 -DE/DX = 0.0 ! ! D57 D(34,20,33,35) 13.2495 -DE/DX = 0.0 ! ! D58 D(34,20,33,36) 178.1292 -DE/DX = 0.0 ! ! D59 D(4,22,24,25) -5.3805 -DE/DX = 0.0 ! ! D60 D(4,22,24,26) -170.7284 -DE/DX = 0.0 ! ! D61 D(23,22,24,25) 176.2484 -DE/DX = 0.0 ! ! D62 D(23,22,24,26) 10.9006 -DE/DX = 0.0 ! ! D63 D(22,24,25,27) 147.8209 -DE/DX = 0.0 ! ! D64 D(22,24,25,28) 27.94 -DE/DX = 0.0 ! ! D65 D(22,24,25,29) -92.318 -DE/DX = 0.0 ! ! D66 D(26,24,25,27) -46.3147 -DE/DX = 0.0 ! ! D67 D(26,24,25,28) -166.1957 -DE/DX = 0.0 ! ! D68 D(26,24,25,29) 73.5463 -DE/DX = 0.0 ! ! D69 D(22,24,26,30) -136.2457 -DE/DX = 0.0 ! ! D70 D(22,24,26,31) 103.4888 -DE/DX = 0.0 ! ! D71 D(22,24,26,32) -16.8955 -DE/DX = 0.0 ! ! D72 D(25,24,26,30) 57.8954 -DE/DX = 0.0 ! ! D73 D(25,24,26,31) -62.3701 -DE/DX = 0.0 ! ! D74 D(25,24,26,32) 177.2456 -DE/DX = 0.0 ! ! D75 D(20,33,35,37) -136.58 -DE/DX = 0.0 ! ! D76 D(20,33,35,38) 103.0362 -DE/DX = 0.0 ! ! D77 D(20,33,35,39) -17.3184 -DE/DX = 0.0 ! ! D78 D(36,33,35,37) 58.1161 -DE/DX = 0.0 ! ! D79 D(36,33,35,38) -62.2677 -DE/DX = 0.0 ! ! D80 D(36,33,35,39) 177.3777 -DE/DX = 0.0 ! ! D81 D(20,33,36,40) 157.6452 -DE/DX = 0.0 ! ! D82 D(20,33,36,41) 38.1695 -DE/DX = 0.0 ! ! D83 D(20,33,36,42) -82.2213 -DE/DX = 0.0 ! ! D84 D(35,33,36,40) -36.9896 -DE/DX = 0.0 ! ! D85 D(35,33,36,41) -156.4653 -DE/DX = 0.0 ! ! D86 D(35,33,36,42) 83.1439 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.957797 -4.940806 2.053370 2 6 0 7.185730 -5.229855 3.529548 3 8 0 6.830554 -6.112985 1.297995 4 7 0 2.998146 -0.798371 0.095981 5 6 0 4.230607 -1.386173 0.285769 6 6 0 4.469562 -2.587653 0.956779 7 7 0 3.652280 -3.519962 1.576851 8 6 0 4.455613 -4.413319 2.047606 9 7 0 5.784314 -4.134767 1.804285 10 6 0 5.794197 -2.965190 1.087803 11 7 0 6.841152 -2.308711 0.633017 12 6 0 6.494300 -1.194911 0.014798 13 7 0 5.283352 -0.710099 -0.170772 14 1 0 7.775741 -4.344651 1.673943 15 1 0 8.120425 -5.771567 3.651172 16 1 0 7.263692 -4.302077 4.085171 17 7 0 4.121920 -5.538905 2.757936 18 1 0 6.380144 -5.824061 3.933215 19 1 0 7.622903 -6.625240 1.384386 20 6 0 2.931120 -5.967241 2.612951 21 1 0 7.300811 -0.606321 -0.384403 22 6 0 1.967905 -1.532138 -0.018091 23 1 0 2.006694 -2.609286 -0.004384 24 7 0 0.732749 -1.032268 -0.201909 25 6 0 0.501037 0.396113 -0.164041 26 6 0 -0.426873 -1.887586 -0.127506 27 1 0 -0.307368 0.643130 -0.842838 28 1 0 1.397190 0.911658 -0.466828 29 1 0 0.227767 0.725955 0.835465 30 1 0 -1.111807 -1.661897 -0.937712 31 1 0 -0.958768 -1.760098 0.812762 32 1 0 -0.130908 -2.924651 -0.213502 33 7 0 2.425893 -6.986771 3.316987 34 1 0 2.247620 -5.518661 1.908996 35 6 0 1.177147 -7.604167 2.928830 36 6 0 3.255193 -7.700511 4.266760 37 1 0 0.560485 -7.778929 3.802791 38 1 0 1.341243 -8.555139 2.428717 39 1 0 0.635481 -6.953080 2.256255 40 1 0 2.616189 -8.188895 4.991648 41 1 0 3.903904 -7.005632 4.775594 42 1 0 3.866867 -8.451282 3.774609 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521382 0.000000 3 O 1.400280 2.426087 0.000000 4 N 6.055574 6.997378 6.661630 0.000000 5 C 4.816367 5.833416 5.488814 1.378583 0.000000 6 C 3.595992 4.580168 4.256604 2.471350 1.396749 7 N 3.629367 4.384293 4.111320 3.166690 2.560158 8 C 2.557186 3.211919 3.015149 4.359003 3.509745 9 N 1.445269 2.477845 2.294405 4.670394 3.503522 10 C 2.487840 3.609320 3.320667 3.673788 2.362491 11 N 2.993148 4.128160 3.861970 4.163921 2.790449 12 C 4.289795 5.395583 5.093831 3.519507 2.287862 13 N 5.064529 6.143256 5.808811 2.302415 1.331832 14 H 1.080925 2.138918 2.040029 6.155605 4.821575 15 H 2.143558 1.087152 2.705139 7.975576 6.759312 16 H 2.151688 1.084235 3.351916 6.810615 5.668999 17 N 2.982672 3.174559 3.130126 5.551715 4.834108 18 H 2.155838 1.079350 2.689002 7.170763 6.133451 19 H 1.930602 2.596139 0.947463 7.549886 6.337386 20 C 4.192949 4.414249 4.117758 5.749508 5.300059 21 H 4.984793 6.058822 5.777106 4.333657 3.237816 22 C 6.388192 7.313313 6.808935 1.269970 2.287675 23 H 5.846688 6.795474 6.102600 2.066993 2.554600 24 N 7.688574 8.554792 8.077538 2.296839 3.549379 25 C 8.665412 9.485739 9.196124 2.780279 4.157952 26 C 8.283219 9.082760 8.517998 3.600985 4.702588 27 H 9.609942 10.476461 10.058737 3.726356 5.097553 28 H 8.457132 9.337901 9.054372 2.409151 3.724873 29 H 8.881936 9.546885 9.517449 3.247369 4.559164 30 H 9.209578 10.076500 9.375056 4.325033 5.487652 31 H 8.621370 9.260291 8.936253 4.134714 5.229451 32 H 7.710599 8.535666 7.804618 3.795764 4.651774 33 N 5.130385 5.078187 4.923502 6.999903 6.619061 34 H 4.747686 5.205240 4.661526 5.111893 4.862567 35 C 6.424627 6.488551 6.069947 7.593413 7.414367 36 C 5.120971 4.700717 4.910908 8.068520 7.527987 37 H 7.213946 7.103965 6.954361 8.271083 8.167409 38 H 6.689541 6.813763 6.113525 8.267674 8.020893 39 H 6.637928 6.891774 6.324789 6.937537 6.913625 40 H 6.167099 5.636875 5.976064 8.873178 8.427850 41 H 4.582605 3.934005 4.632040 7.826191 7.200249 42 H 4.983969 4.631684 4.514940 8.535457 7.887970 6 7 8 9 10 6 C 0.000000 7 N 1.386231 0.000000 8 C 2.126771 1.290365 0.000000 9 N 2.200092 2.230534 1.379219 0.000000 10 C 1.383604 2.265998 2.193196 1.371625 0.000000 11 N 2.409787 3.539330 3.481557 2.413143 1.316781 12 C 2.631848 3.990357 4.318183 3.514128 2.185262 13 N 2.336414 3.689160 4.395474 3.984992 2.632566 14 H 3.812110 4.206241 3.341794 2.006694 2.484550 15 H 5.543092 5.416350 4.224584 3.398164 4.456226 16 H 4.531363 4.466057 3.471218 2.723782 3.595956 17 N 3.474897 2.385719 1.372174 2.375838 3.494261 18 H 4.794146 4.278150 3.041305 2.782279 4.075887 19 H 5.140868 5.044367 3.919717 3.123969 4.102207 20 C 4.065873 2.753679 2.249080 3.486060 4.419909 21 H 3.706807 5.064345 5.338825 4.420413 3.162521 22 C 2.884921 3.054899 4.330935 4.965855 4.232865 23 H 2.643864 2.457151 3.669115 4.457442 3.957867 24 N 4.210172 4.228034 5.509223 6.258484 5.569362 25 C 5.090018 5.319463 6.607624 7.232994 6.393982 26 C 5.063678 4.712640 5.911777 6.881896 6.429612 27 H 6.041162 6.234183 7.523851 8.181941 7.346866 28 H 4.869425 5.375994 6.635639 7.061956 6.064692 29 H 5.384008 5.504976 6.764326 7.445835 6.683814 30 H 5.966389 5.698418 6.890473 7.822412 7.313971 31 H 5.492937 4.994269 6.154668 7.217433 6.865160 32 H 4.758934 4.227562 5.325873 6.365980 6.066458 33 N 5.394386 4.068275 3.514789 4.658453 5.699811 34 H 3.799283 2.465398 2.473100 3.799254 4.446659 35 C 6.316200 4.963352 4.659013 5.875996 6.799017 36 C 6.210635 4.987012 4.143825 5.017447 6.243043 37 H 7.094365 5.714264 5.438752 6.675503 7.611504 38 H 6.896656 5.605317 5.196077 6.298451 7.271477 39 H 5.953635 4.620495 4.592094 5.887075 6.624266 40 H 7.147661 5.876500 5.128921 6.052458 7.254435 41 H 5.867014 4.737633 3.803470 4.539437 5.787762 42 H 6.533417 5.403157 4.431061 5.117722 6.405523 11 12 13 14 15 11 N 0.000000 12 C 1.320246 0.000000 13 N 2.372420 1.317526 0.000000 14 H 2.470230 3.783611 4.777545 0.000000 15 H 4.768351 6.067395 6.947999 2.462587 0.000000 16 H 4.008668 5.178260 5.910761 2.465365 1.755490 17 N 4.726908 5.658911 5.765728 3.993956 4.103662 18 H 4.843710 6.065976 6.648178 3.039845 1.763768 19 H 4.450631 5.712967 6.548352 2.303973 2.472773 20 C 5.709057 6.497829 6.396846 5.194697 5.295760 21 H 2.035819 1.075295 2.031391 4.293886 6.605861 22 C 4.977504 4.539059 3.419246 6.671144 8.324047 23 H 4.885551 4.705256 3.790920 6.253812 7.793639 24 N 6.295951 5.767919 4.562099 8.005900 9.585663 25 C 6.938907 6.203430 4.908592 8.875491 10.519087 26 C 7.319831 6.957204 5.830524 8.750157 10.120277 27 H 7.873554 7.097649 5.791291 9.825924 11.505310 28 H 6.420059 5.536256 4.221374 8.538008 10.335633 29 H 7.279221 6.605503 5.351047 9.131593 10.603775 30 H 8.132350 7.679728 6.510927 9.643983 11.098709 31 H 7.821256 7.516942 6.405770 9.149491 10.323769 32 H 7.050220 6.851096 5.849810 8.251906 9.545949 33 N 6.970111 7.810379 7.728268 6.188801 5.832332 34 H 5.747386 6.349574 6.055028 5.656294 6.130984 35 C 8.086629 8.822826 8.602128 7.465964 7.217292 36 C 7.425275 8.419848 8.524727 6.198375 5.269749 37 H 8.911652 9.638898 9.384190 8.269593 7.823374 38 H 8.514188 9.303438 9.156539 7.726620 7.429668 39 H 7.919308 8.515070 8.152789 7.624061 7.704944 40 H 8.451304 9.419373 9.470834 7.239223 6.159298 41 H 6.917329 7.946056 8.124232 5.629581 4.535007 42 H 7.513132 8.584550 8.803315 6.046198 5.028803 16 17 18 19 20 16 H 0.000000 17 N 3.627950 0.000000 18 H 1.766404 2.561674 0.000000 19 H 3.580553 3.914543 2.946671 0.000000 20 C 4.869433 1.273772 3.695858 4.894401 0.000000 21 H 5.799748 6.656577 6.834784 6.281699 7.537757 22 C 7.249461 5.329192 7.314457 7.738581 5.245980 23 H 6.872119 4.548325 6.705709 7.042612 4.356704 24 N 8.468997 6.368433 8.482547 9.015093 6.091817 25 C 9.266191 7.541431 9.489046 10.120178 7.355900 26 C 9.095119 6.507644 8.849903 9.462034 5.952294 27 H 10.298606 8.414376 10.457441 10.985396 8.131869 28 H 9.073013 7.709281 9.463621 9.949439 7.691373 29 H 9.238287 7.622913 9.505289 10.441716 7.434141 30 H 10.116763 7.488719 9.857935 10.311260 6.891187 31 H 9.207560 6.623932 8.950568 9.881369 6.005994 32 H 8.663487 5.809503 8.245948 8.738948 5.159672 33 N 5.585873 2.298991 4.167461 5.556489 1.338044 34 H 5.601498 2.057695 4.611777 5.513021 1.078864 35 C 7.020466 3.600861 5.590058 6.700103 2.419861 36 C 5.258364 2.774943 3.660278 5.342395 2.417506 37 H 7.556535 4.335118 6.140599 7.553638 3.212141 38 H 7.477150 4.115607 5.925608 6.653901 3.042839 39 H 7.369256 3.795634 6.089995 7.049235 2.523702 40 H 6.126037 3.778775 4.569472 6.365889 3.270035 41 H 4.367387 2.503950 2.870100 5.047370 2.588743 42 H 5.371290 3.095257 3.639231 4.812006 2.897504 21 22 23 24 25 21 H 0.000000 22 C 5.425054 0.000000 23 H 5.673090 1.077933 0.000000 24 N 6.584388 1.345090 2.036894 0.000000 25 C 6.876798 2.427170 3.365251 1.447549 0.000000 26 C 7.837393 2.423484 2.541310 1.442854 2.465286 27 H 7.723709 3.254053 4.078737 2.073546 1.084113 28 H 6.096212 2.549356 3.603108 2.071355 1.077291 29 H 7.300068 2.975840 3.872178 2.102974 1.087421 30 H 8.496619 3.216701 3.390236 2.083321 2.726764 31 H 8.425263 3.050852 3.191052 2.102504 2.781083 32 H 7.786804 2.526320 2.170836 2.080180 3.380721 33 N 8.841677 6.409798 5.510863 7.120777 8.386275 34 H 7.411174 4.436696 3.490492 5.184446 6.506350 35 C 9.871505 6.795526 5.851558 7.293070 8.603921 36 C 9.398291 7.620098 6.761805 8.414107 9.631859 37 H 10.696303 7.456700 6.581134 7.847594 9.086837 38 H 10.325396 7.463385 6.458791 7.992750 9.356990 39 H 9.575022 6.027821 5.085201 6.411556 7.738640 40 H 10.408795 8.356444 7.514243 9.040889 10.235104 41 H 8.894702 7.529054 6.765757 8.397193 9.527085 42 H 9.520123 8.115736 7.202079 8.982046 10.252715 26 27 28 29 30 26 C 0.000000 27 H 2.632585 0.000000 28 H 3.358290 1.766071 0.000000 29 H 2.861200 1.763500 1.760115 0.000000 30 H 1.084668 2.443210 3.624912 3.261971 0.000000 31 H 1.087782 2.990123 3.784992 2.754785 1.759893 32 H 1.081893 3.627156 4.137211 3.815220 1.755331 33 N 6.782661 9.109898 8.818200 8.394989 7.679327 34 H 4.948228 7.215832 6.907733 6.650376 5.853557 35 C 6.677826 9.189514 9.170506 8.641437 7.449834 36 C 8.164392 10.412310 10.001425 9.588766 9.089669 37 H 7.150527 9.657438 9.718849 9.013810 7.917513 38 H 7.356410 9.900967 9.899876 9.482457 8.054010 39 H 5.698258 8.258072 8.357600 7.820004 6.422699 40 H 8.670205 10.981488 10.681805 10.121905 9.573764 41 H 8.306047 10.382926 9.820900 9.424227 9.292725 42 H 8.760411 11.020589 10.571363 10.300645 9.648259 31 32 33 34 35 31 H 0.000000 32 H 1.759191 0.000000 33 N 6.711571 5.958390 0.000000 34 H 5.060578 4.109901 2.041951 0.000000 35 C 6.572140 5.786461 1.446102 2.556425 0.000000 36 C 8.060775 7.372061 1.448874 3.366709 2.473382 37 H 6.890191 6.338190 2.084051 3.397307 1.083800 38 H 7.353499 6.391475 2.103632 3.211204 1.086917 39 H 5.620709 4.786993 2.081313 2.185667 1.081514 40 H 8.460073 7.896353 2.070218 4.094964 2.582240 41 H 8.177118 7.604289 2.076634 3.629290 3.347236 42 H 8.765343 7.901322 2.104903 3.834414 2.944069 36 37 38 39 40 36 C 0.000000 37 H 2.735484 0.000000 38 H 2.787830 1.760729 0.000000 39 H 3.385806 1.754829 1.759101 0.000000 40 H 1.082731 2.409849 2.885869 3.596222 0.000000 41 H 1.078237 3.566901 3.804739 4.127036 1.762101 42 H 1.086285 3.374169 2.863737 3.871933 1.764717 41 42 41 H 0.000000 42 H 1.758762 0.000000 Stoichiometry C13H20N8O Framework group C1[X(C13H20N8O)] Deg. of freedom 120 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.487908 -2.267152 0.147298 2 6 0 3.469182 -2.134880 -1.007782 3 8 0 3.046709 -1.861784 1.365577 4 7 0 -3.258701 -0.389446 -0.200099 5 6 0 -2.223591 -1.288576 -0.056548 6 6 0 -0.861938 -0.977708 -0.069541 7 7 0 -0.148180 0.204289 -0.192300 8 6 0 1.093330 -0.146057 -0.161418 9 7 0 1.272995 -1.508674 -0.046352 10 6 0 0.012858 -2.045211 0.028066 11 7 0 -0.315753 -3.315196 0.142363 12 6 0 -1.624737 -3.487187 0.147888 13 7 0 -2.566560 -2.571061 0.050124 14 1 0 2.153207 -3.292502 0.218224 15 1 0 4.321620 -2.786755 -0.833697 16 1 0 2.999211 -2.441650 -1.935460 17 7 0 2.190157 0.672608 -0.259497 18 1 0 3.817922 -1.117651 -1.100641 19 1 0 3.804650 -2.398499 1.553059 20 6 0 2.010975 1.897243 0.041604 21 1 0 -1.966592 -4.502569 0.239512 22 6 0 -3.115630 0.799379 0.223043 23 1 0 -2.225494 1.143866 0.723969 24 7 0 -4.078168 1.732827 0.115971 25 6 0 -5.303127 1.451382 -0.602126 26 6 0 -3.802732 3.114376 0.427876 27 1 0 -6.118159 1.999269 -0.142947 28 1 0 -5.508317 0.394721 -0.558313 29 1 0 -5.227880 1.750777 -1.644808 30 1 0 -4.611625 3.534446 1.015871 31 1 0 -3.690606 3.713580 -0.473041 32 1 0 -2.890184 3.191389 1.003913 33 7 0 2.953171 2.835826 -0.105675 34 1 0 1.070319 2.255115 0.430245 35 6 0 2.795410 4.140538 0.497688 36 6 0 4.273979 2.476705 -0.580787 37 1 0 3.088999 4.913149 -0.203383 38 1 0 3.402405 4.241320 1.393673 39 1 0 1.760187 4.301688 0.766049 40 1 0 4.745309 3.355641 -1.002244 41 1 0 4.191431 1.717768 -1.342229 42 1 0 4.895885 2.095835 0.224313 --------------------------------------------------------------------- Rotational constants (GHZ): 0.3211691 0.1991165 0.1278600 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.56086 -15.60840 -15.60171 -15.58859 -15.54207 Alpha occ. eigenvalues -- -15.53886 -15.53174 -15.52387 -15.52069 -11.33017 Alpha occ. eigenvalues -- -11.32933 -11.31993 -11.31066 -11.29683 -11.28987 Alpha occ. eigenvalues -- -11.28100 -11.27774 -11.26727 -11.26527 -11.24652 Alpha occ. eigenvalues -- -11.23055 -11.21202 -1.39016 -1.35293 -1.31296 Alpha occ. eigenvalues -- -1.29828 -1.27851 -1.22433 -1.20553 -1.17447 Alpha occ. eigenvalues -- -1.14287 -1.02339 -1.00919 -0.99649 -0.98031 Alpha occ. eigenvalues -- -0.96870 -0.94476 -0.88655 -0.86787 -0.85944 Alpha occ. eigenvalues -- -0.80477 -0.77438 -0.75784 -0.73553 -0.72102 Alpha occ. eigenvalues -- -0.70624 -0.69846 -0.67670 -0.66773 -0.66432 Alpha occ. eigenvalues -- -0.65199 -0.64669 -0.64164 -0.62181 -0.60798 Alpha occ. eigenvalues -- -0.60388 -0.59161 -0.58057 -0.57781 -0.57380 Alpha occ. eigenvalues -- -0.56198 -0.55874 -0.55440 -0.54846 -0.54417 Alpha occ. eigenvalues -- -0.53721 -0.53537 -0.51497 -0.50056 -0.48305 Alpha occ. eigenvalues -- -0.46763 -0.44949 -0.43277 -0.42826 -0.41952 Alpha occ. eigenvalues -- -0.40800 -0.37580 -0.37566 -0.36001 -0.32493 Alpha occ. eigenvalues -- -0.26976 Alpha virt. eigenvalues -- 0.12011 0.16373 0.18290 0.21501 0.22168 Alpha virt. eigenvalues -- 0.22700 0.23181 0.24884 0.26379 0.27602 Alpha virt. eigenvalues -- 0.28227 0.28653 0.29707 0.30427 0.30663 Alpha virt. eigenvalues -- 0.31003 0.31621 0.31873 0.32172 0.32512 Alpha virt. eigenvalues -- 0.32643 0.33309 0.33901 0.34083 0.35258 Alpha virt. eigenvalues -- 0.37369 0.38304 0.39347 0.40338 0.40543 Alpha virt. eigenvalues -- 0.41627 0.41889 0.44092 0.45037 0.46832 Alpha virt. eigenvalues -- 0.47812 0.48441 0.51165 0.52216 0.53675 Alpha virt. eigenvalues -- 0.54983 0.55233 0.58193 0.60360 0.62158 Alpha virt. eigenvalues -- 0.62590 0.66140 0.67262 0.67971 0.68698 Alpha virt. eigenvalues -- 0.69567 0.71008 0.72406 0.72564 0.74148 Alpha virt. eigenvalues -- 0.74532 0.75225 0.76873 0.77332 0.77519 Alpha virt. eigenvalues -- 0.78232 0.78749 0.79200 0.80342 0.82065 Alpha virt. eigenvalues -- 0.83672 0.84519 0.85097 0.87548 0.87776 Alpha virt. eigenvalues -- 0.88864 0.90301 0.90508 0.91743 0.93389 Alpha virt. eigenvalues -- 0.93879 0.94102 0.95251 0.95880 0.96139 Alpha virt. eigenvalues -- 0.99201 1.00466 1.00971 1.01808 1.02698 Alpha virt. eigenvalues -- 1.03144 1.04801 1.05520 1.06626 1.07219 Alpha virt. eigenvalues -- 1.07374 1.08204 1.08646 1.09256 1.09950 Alpha virt. eigenvalues -- 1.10657 1.10948 1.12005 1.12905 1.13126 Alpha virt. eigenvalues -- 1.14296 1.14671 1.15175 1.15696 1.16393 Alpha virt. eigenvalues -- 1.16603 1.17513 1.18217 1.18567 1.19709 Alpha virt. eigenvalues -- 1.20145 1.20466 1.20759 1.22029 1.22147 Alpha virt. eigenvalues -- 1.22950 1.23404 1.23790 1.24229 1.25103 Alpha virt. eigenvalues -- 1.26048 1.26628 1.27356 1.27756 1.29765 Alpha virt. eigenvalues -- 1.30483 1.31413 1.34030 1.34152 1.36750 Alpha virt. eigenvalues -- 1.37910 1.38873 1.41862 1.43294 1.44886 Alpha virt. eigenvalues -- 1.48742 1.49168 1.50746 1.52859 1.55568 Alpha virt. eigenvalues -- 1.56139 1.57865 1.58779 1.59482 1.61003 Alpha virt. eigenvalues -- 1.61847 1.62701 1.63329 1.64513 1.65697 Alpha virt. eigenvalues -- 1.66886 1.68068 1.68728 1.71136 1.72037 Alpha virt. eigenvalues -- 1.72640 1.73613 1.75624 1.77111 1.79147 Alpha virt. eigenvalues -- 1.80709 1.81319 1.83620 1.87286 1.88289 Alpha virt. eigenvalues -- 1.88994 1.92110 1.93884 1.95774 1.96139 Alpha virt. eigenvalues -- 1.99549 2.02897 2.04328 2.08595 2.10965 Alpha virt. eigenvalues -- 2.11200 2.12576 2.13144 2.14208 2.16632 Alpha virt. eigenvalues -- 2.17184 2.17964 2.18155 2.20804 2.22156 Alpha virt. eigenvalues -- 2.24100 2.27059 2.27337 2.28089 2.29247 Alpha virt. eigenvalues -- 2.29643 2.29875 2.31258 2.33285 2.36045 Alpha virt. eigenvalues -- 2.37061 2.38016 2.39149 2.39303 2.41030 Alpha virt. eigenvalues -- 2.42051 2.43529 2.44919 2.48036 2.49112 Alpha virt. eigenvalues -- 2.50653 2.52639 2.54240 2.54945 2.55292 Alpha virt. eigenvalues -- 2.56476 2.57327 2.58329 2.58679 2.59400 Alpha virt. eigenvalues -- 2.60581 2.61216 2.62693 2.63600 2.64496 Alpha virt. eigenvalues -- 2.66469 2.68693 2.69959 2.70421 2.71552 Alpha virt. eigenvalues -- 2.74112 2.74737 2.77574 2.78600 2.79690 Alpha virt. eigenvalues -- 2.81460 2.83557 2.85737 2.86438 2.87325 Alpha virt. eigenvalues -- 2.90167 2.91213 2.93103 2.94425 2.94792 Alpha virt. eigenvalues -- 2.97290 2.97591 2.98261 3.00327 3.03184 Alpha virt. eigenvalues -- 3.04328 3.06163 3.08970 3.12658 3.13277 Alpha virt. eigenvalues -- 3.13744 3.16983 3.20151 3.20998 3.24533 Alpha virt. eigenvalues -- 3.26636 3.28063 3.30783 3.38121 3.43055 Alpha virt. eigenvalues -- 3.43898 3.51262 3.61026 3.69149 3.73889 Alpha virt. eigenvalues -- 3.79027 3.94247 4.22757 4.40178 4.41133 Alpha virt. eigenvalues -- 4.47759 4.54625 4.57662 4.61628 4.62923 Alpha virt. eigenvalues -- 4.66214 4.67010 4.69007 4.72690 4.74911 Alpha virt. eigenvalues -- 4.77341 4.78827 4.80199 4.86293 4.88581 Alpha virt. eigenvalues -- 4.98045 5.03486 5.10134 5.20650 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.549957 0.370285 0.228537 0.000001 -0.000023 0.005354 2 C 0.370285 5.191714 -0.057622 -0.000000 0.000001 -0.000244 3 O 0.228537 -0.057622 8.400348 -0.000000 -0.000000 -0.000176 4 N 0.000001 -0.000000 -0.000000 7.004501 0.404160 -0.124670 5 C -0.000023 0.000001 -0.000000 0.404160 4.342290 0.433844 6 C 0.005354 -0.000244 -0.000176 -0.124670 0.433844 5.080930 7 N 0.002809 -0.000162 -0.000062 -0.000464 -0.040097 0.338744 8 C -0.021733 -0.004988 0.001517 -0.000086 -0.000533 -0.096733 9 N 0.202389 -0.058751 -0.070143 -0.000065 0.004299 -0.076225 10 C -0.030519 0.003125 0.003630 0.004409 -0.034862 0.513285 11 N -0.004857 0.000185 0.000041 -0.000403 -0.022964 -0.067604 12 C -0.000062 0.000001 -0.000001 0.002242 -0.069003 -0.016321 13 N 0.000003 0.000000 -0.000000 -0.088025 0.499246 -0.103422 14 H 0.438115 -0.056900 -0.036831 0.000000 0.000010 0.000937 15 H 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0.003449 0.398537 0.401154 0.402260 37 H 0.523852 -0.041117 -0.023457 0.003238 0.000208 -0.000645 38 H -0.041117 0.544779 -0.027961 -0.001241 -0.000216 0.003112 39 H -0.023457 -0.027961 0.501852 0.000154 -0.000098 -0.000157 40 H 0.003238 -0.001241 0.000154 0.529456 -0.022532 -0.035588 41 H 0.000208 -0.000216 -0.000098 -0.022532 0.463991 -0.028996 42 H -0.000645 0.003112 -0.000157 -0.035588 -0.028996 0.531143 Mulliken charges: 1 1 C 0.375092 2 C -0.516126 3 O -0.735467 4 N -0.647685 5 C 0.531230 6 C 0.111146 7 N -0.698327 8 C 0.903813 9 N -0.840513 10 C 0.686118 11 N -0.632507 12 C 0.255351 13 N -0.593187 14 H 0.209671 15 H 0.147105 16 H 0.175676 17 N -0.712062 18 H 0.212842 19 H 0.441177 20 C 0.434919 21 H 0.199289 22 C 0.417509 23 H 0.220413 24 N -0.615984 25 C -0.285901 26 C -0.277662 27 H 0.162421 28 H 0.237440 29 H 0.166046 30 H 0.176458 31 H 0.169286 32 H 0.175729 33 N -0.615283 34 H 0.220055 35 C -0.284517 36 C -0.281828 37 H 0.182978 38 H 0.177201 39 H 0.182214 40 H 0.170432 41 H 0.216705 42 H 0.178734 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.584763 2 C 0.019497 3 O -0.294290 4 N -0.647685 5 C 0.531230 6 C 0.111146 7 N -0.698327 8 C 0.903813 9 N -0.840513 10 C 0.686118 11 N -0.632507 12 C 0.454639 13 N -0.593187 17 N -0.712062 20 C 0.654974 22 C 0.637922 24 N -0.615984 25 C 0.280007 26 C 0.243811 33 N -0.615283 35 C 0.257875 36 C 0.284043 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147131859 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 35.86 SMaxX= 20.81 Shift= 11.561645 8.508621 3.657489 Box 1 Number 0 centers from 1 to 128: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.59D+01 RnKept= 2.10D+01 NSMCal= 8256 NSMKep= 5903 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 59. PRISM was handed 2146620525 working-precision words and 5903 shell-pairs IPart= 0 NShTot= 5903 NBatch= 65 AvBLen= 90.8 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 60. Electronic moments (au): -162.00000000 1.85953827 2.86156257 0.30608122 -4999.94398164 -3074.29775873 -275.12989197 -9.70092294 -0.90253684 2.16654983 6679.89284169 -2308.36521011 -27.99644135 -2621.11066958 -8206.34620261 1090.63462033 -568.23270099 80.37340836 -739.09026124 164.33849810 -284882.11604217 -116333.84219186 -1892.32857146 29207.82916430 -2366.13856349 -23267.70735633 -3322.02593303 -435.70651682 83.99821929 -95130.62862802 -11347.56260409 -5564.42044553 1609.91759681 952.15366550 2195.82875659 Electronic spatial extent (au): = 8349.3716 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 162.00000000 0.00000000 0.00000000 -0.00000000 4916.89717288 2992.08170323 176.90908147 0.00000000 -0.00000000 -0.00000000 -6560.66162131 2421.06490849 33.44387698 2703.15412480 8308.98611787 -1083.83587372 578.71986507 -74.24068315 761.40050702 -170.64637452 268787.92010576 106160.40998826 971.36785507 -30097.59991991 2577.97770906 23304.48398812 3318.84057044 493.95569781 -107.32437028 91194.28617657 8286.00227027 3606.59254498 -1754.00502911 -883.21450766 -2247.56064828 Total moments (au): -0.00000000 1.85953827 2.86156257 0.30608122 -83.04680876 -82.21605550 -98.22081050 -9.70092294 -0.90253684 2.16654983 119.23122037 112.69969838 5.44743563 82.04345522 102.63991527 6.79874661 10.48716408 6.13272521 22.31024578 -6.30787642 -16094.19593642 -10173.43220360 -920.96071638 -889.77075561 211.83914557 36.77663179 -3.18536259 58.24918099 -23.32615098 -3936.34245145 -3061.56033382 -1957.82790055 -144.08743230 68.93915784 -51.73189169 Traceless Quadrup. (au): 4.78108282 5.61183609 -10.39291891 -9.70092294 -0.90253684 2.16654983 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 4.7265 Y= 7.2734 Z= 0.7780 Tot= 8.7090 Quadrupole moment (field-independent basis, Debye-Ang): XX= -111.7008 YY= -110.5834 ZZ= -132.1104 XY= -13.0481 XZ= -1.2139 YZ= 2.9141 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.4307 YY= 7.5481 ZZ= -13.9788 XY= -13.0481 XZ= -1.2139 YZ= 2.9141 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 84.8642 YYY= 80.2153 ZZZ= 3.8773 XYY= 58.3954 XXY= 73.0551 XXZ= 4.8391 XZZ= 7.4644 YZZ= 4.3650 YYZ= 15.8796 XYZ= -4.4897 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -6061.8459 YYYY= -3831.8024 ZZZZ= -346.8780 XXXY= -335.1303 XXXZ= 79.7888 YYYX= 13.8518 YYYZ= -1.1998 ZZZX= 21.9394 ZZZY= -8.7857 XXYY= -1482.6153 XXZZ= -1153.1304 YYZZ= -737.4119 XXYZ= -54.2702 YYXZ= 25.9658 ZZXY= -19.4847 N-N= 1.830319599345D+03 E-N=-6.033421898780D+03 KE= 1.013115763488D+03 Entering OneElI... OneElI was handed 2147199032 working-precision words. Calculate electrostatic properties NBasis = 370 MinDer = 0 MaxDer = 0 NGrid = 42 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 20.81 Shift= 11.561645 8.508621 3.657489 Box 1 Number 0 centers from 1 to 128: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.82D+01 NSMCal= 8256 NSMKep= 5061 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 177. PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs PRISM was handed 178762929 working-precision words and 5061 shell-pairs IPart= 5 NShTot= 17808 NBatch= 424 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 0 NShTot= 18606 NBatch= 443 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 17556 NBatch= 418 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 2 NShTot= 18144 NBatch= 432 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 8 NShTot= 17430 NBatch= 415 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 4 NShTot= 17850 NBatch= 425 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 16968 NBatch= 404 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 3 NShTot= 17934 NBatch= 427 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 1 NShTot= 18312 NBatch= 436 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 6 NShTot= 17682 NBatch= 421 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 9 NShTot= 17304 NBatch= 412 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 11 NShTot= 16968 NBatch= 404 AvBLen= 42.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 2125. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.078708 0.164128 -0.085421 2 Atom -0.034899 0.056376 -0.021477 3 Atom -0.302739 0.712843 -0.410103 4 Atom 0.429359 -0.377830 -0.051529 5 Atom 0.227067 0.209352 -0.436419 6 Atom 0.121809 -0.036266 -0.085543 7 Atom -0.349746 0.529141 -0.179396 8 Atom 0.282899 0.019287 -0.302187 9 Atom -0.402363 -0.411907 0.814270 10 Atom 0.042711 0.278189 -0.320900 11 Atom 0.154537 0.253600 -0.408137 12 Atom 0.142531 0.271789 -0.414320 13 Atom 0.895692 -0.380489 -0.515204 14 Atom 0.105599 -0.255176 0.149577 15 Atom -0.129317 -0.007497 0.136814 16 Atom 0.065097 0.124301 -0.189398 17 Atom 0.441354 -0.388689 -0.052664 18 Atom 0.104843 -0.258491 0.153647 19 Atom -0.231687 0.016659 0.215028 20 Atom 0.149341 0.237918 -0.387259 21 Atom 0.105961 -0.270594 0.164632 22 Atom 0.085759 0.214535 -0.300293 23 Atom -0.149694 0.090248 0.059445 24 Atom -0.266260 -0.485308 0.751568 25 Atom -0.197677 0.185547 0.012130 26 Atom 0.110497 -0.210567 0.100070 27 Atom -0.114288 0.040796 0.073492 28 Atom 0.131117 -0.288831 0.157713 29 Atom 0.142994 0.125440 -0.268434 30 Atom -0.103595 0.077735 0.025861 31 Atom 0.154793 0.007228 -0.162021 32 Atom -0.173817 0.140186 0.033632 33 Atom -0.334027 -0.375243 0.709270 34 Atom -0.185781 0.088510 0.097271 35 Atom 0.124440 -0.192025 0.067585 36 Atom -0.228640 0.134144 0.094496 37 Atom 0.127388 -0.087717 -0.039672 38 Atom 0.013213 0.141665 -0.154878 39 Atom -0.272706 0.134682 0.138023 40 Atom 0.059975 -0.154680 0.094705 41 Atom 0.144144 -0.067004 -0.077140 42 Atom -0.004290 0.106902 -0.102612 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.186399 -0.241042 -0.100058 2 Atom 0.026147 0.024768 0.008927 3 Atom 0.961875 -1.402500 -0.483502 4 Atom 0.450568 0.351812 0.102313 5 Atom 0.054753 -0.023085 -0.038365 6 Atom -0.059305 0.012441 -0.006428 7 Atom -0.451162 0.053457 -0.095834 8 Atom 0.020608 0.026093 -0.022064 9 Atom 0.016625 -0.027288 0.150204 10 Atom -0.117809 0.019594 -0.052692 11 Atom -0.661929 0.054475 -0.069668 12 Atom 0.031398 0.002969 -0.067084 13 Atom 0.341110 -0.001290 -0.009403 14 Atom -0.115475 0.001664 0.028769 15 Atom 0.222053 -0.056384 0.050179 16 Atom -0.059618 -0.171525 -0.115108 17 Atom -0.515253 -0.211116 0.085733 18 Atom -0.150306 0.017154 0.041932 19 Atom 0.367905 -0.139003 0.063892 20 Atom -0.028751 -0.232254 0.195615 21 Atom -0.142365 0.012739 0.039690 22 Atom -0.001760 0.267957 0.236500 23 Atom -0.114354 -0.182255 -0.072922 24 Atom 0.107352 -0.555470 -0.272502 25 Atom -0.050666 -0.163702 -0.037745 26 Atom -0.076171 -0.021318 -0.084171 27 Atom 0.175452 0.140959 -0.108480 28 Atom -0.099771 -0.006596 0.018351 29 Atom -0.014851 0.026598 0.124147 30 Atom 0.128549 0.188608 -0.102544 31 Atom -0.030157 0.036715 0.204152 32 Atom -0.026177 -0.216346 -0.021007 33 Atom -0.146582 0.447624 -0.422006 34 Atom 0.133195 0.148702 -0.058859 35 Atom 0.052613 0.020778 -0.149557 36 Atom 0.085373 0.141301 -0.001495 37 Atom -0.087094 0.087772 0.208718 38 Atom -0.017793 -0.212763 -0.039321 39 Atom 0.062819 0.113324 -0.025817 40 Atom -0.158961 0.087716 0.146894 41 Atom -0.018862 -0.019418 -0.241465 42 Atom 0.096613 -0.190422 0.118912 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5850 2.810 1.003 0.937 -0.4367 0.8920 0.1169 4 N(14) Bbb -0.2029 0.974 0.348 0.325 -0.3124 -0.2723 0.9101 Bcc 0.7879 -3.784 -1.350 -1.262 0.8436 0.3609 0.3975 Baa -0.5405 2.596 0.926 0.866 0.9219 0.3858 -0.0341 7 N(14) Bbb -0.1920 0.922 0.329 0.308 -0.0147 0.1227 0.9923 Bcc 0.7326 -3.518 -1.255 -1.174 -0.3870 0.9144 -0.1188 Baa -0.4404 2.115 0.755 0.706 -0.4656 0.8775 -0.1152 9 N(14) Bbb -0.3925 1.885 0.673 0.629 0.8848 0.4645 -0.0378 Bcc 0.8329 -4.000 -1.427 -1.334 -0.0203 0.1195 0.9926 Baa -0.4609 2.214 0.790 0.738 0.7168 0.6794 0.1570 11 N(14) Bbb -0.4130 1.984 0.708 0.662 -0.1614 -0.0573 0.9852 Bcc 0.8739 -4.197 -1.498 -1.400 -0.6783 0.7315 -0.0686 Baa -0.5167 2.482 0.886 0.828 -0.0393 0.1663 0.9853 13 N(14) Bbb -0.4644 2.230 0.796 0.744 -0.2398 0.9557 -0.1708 Bcc 0.9812 -4.712 -1.681 -1.572 0.9700 0.2430 -0.0024 Baa -0.6356 3.053 1.089 1.018 0.4355 0.8998 0.0254 17 N(14) Bbb -0.1166 0.560 0.200 0.187 0.2343 -0.1405 0.9620 Bcc 0.7522 -3.613 -1.289 -1.205 0.8692 -0.4130 -0.2720 Baa -0.5448 2.616 0.934 0.873 0.2167 0.9325 0.2889 24 N(14) Bbb -0.5070 2.435 0.869 0.812 0.8930 -0.3089 0.3273 Bcc 1.0517 -5.051 -1.802 -1.685 -0.3944 -0.1871 0.8997 Baa -0.5218 2.506 0.894 0.836 -0.2434 0.8869 0.3926 33 N(14) Bbb -0.4964 2.384 0.851 0.795 0.9124 0.3467 -0.2174 Bcc 1.0182 -4.890 -1.745 -1.631 0.3289 -0.3053 0.8937 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat May 4 00:33:51 2024, MaxMem= 2147483648 cpu: 4.7 elap: 0.5 FitSet: NAtFit= 42 NAtPot= 42 NAtFrz= 0 MDM= 46 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 7 1.50 5 6 1.50 6 6 1.50 7 7 1.50 8 6 1.50 9 7 1.50 10 6 1.50 11 7 1.50 12 6 1.50 13 7 1.50 14 1 1.20 15 1 1.20 16 1 1.20 17 7 1.50 18 1 1.20 19 1 1.20 20 6 1.50 21 1 1.20 22 6 1.50 23 1 1.20 24 7 1.50 25 6 1.50 26 6 1.50 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 7 1.50 34 1 1.20 35 6 1.50 36 6 1.50 37 1 1.20 38 1 1.20 39 1 1.20 40 1 1.20 41 1 1.20 42 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at 2.487908 -2.267152 0.147298 Atomic Center 2 is at 3.469182 -2.134880 -1.007782 Atomic Center 3 is at 3.046709 -1.861784 1.365577 Atomic Center 4 is at -3.258701 -0.389446 -0.200099 Atomic Center 5 is at -2.223591 -1.288576 -0.056548 Atomic Center 6 is at -0.861938 -0.977708 -0.069541 Atomic Center 7 is at -0.148180 0.204289 -0.192300 Atomic Center 8 is at 1.093330 -0.146057 -0.161418 Atomic Center 9 is at 1.272995 -1.508674 -0.046352 Atomic Center 10 is at 0.012858 -2.045211 0.028066 Atomic Center 11 is at -0.315753 -3.315196 0.142363 Atomic Center 12 is at -1.624737 -3.487187 0.147888 Atomic Center 13 is at -2.566560 -2.571061 0.050124 Atomic Center 14 is at 2.153207 -3.292502 0.218224 Atomic Center 15 is at 4.321620 -2.786755 -0.833697 Atomic Center 16 is at 2.999211 -2.441650 -1.935460 Atomic Center 17 is at 2.190157 0.672608 -0.259497 Atomic Center 18 is at 3.817922 -1.117651 -1.100641 Atomic Center 19 is at 3.804650 -2.398499 1.553059 Atomic Center 20 is at 2.010975 1.897243 0.041604 Atomic Center 21 is at -1.966592 -4.502569 0.239512 Atomic Center 22 is at -3.115630 0.799379 0.223043 Atomic Center 23 is at -2.225494 1.143866 0.723969 Atomic Center 24 is at -4.078168 1.732827 0.115971 Atomic Center 25 is at -5.303127 1.451382 -0.602126 Atomic Center 26 is at -3.802732 3.114376 0.427876 Atomic Center 27 is at -6.118159 1.999269 -0.142947 Atomic Center 28 is at -5.508317 0.394721 -0.558313 Atomic Center 29 is at -5.227880 1.750777 -1.644808 Atomic Center 30 is at -4.611625 3.534446 1.015871 Atomic Center 31 is at -3.690606 3.713580 -0.473041 Atomic Center 32 is at -2.890184 3.191389 1.003913 Atomic Center 33 is at 2.953171 2.835826 -0.105675 Atomic Center 34 is at 1.070319 2.255115 0.430245 Atomic Center 35 is at 2.795410 4.140538 0.497688 Atomic Center 36 is at 4.273979 2.476705 -0.580787 Atomic Center 37 is at 3.088999 4.913149 -0.203383 Atomic Center 38 is at 3.402405 4.241320 1.393673 Atomic Center 39 is at 1.760187 4.301688 0.766049 Atomic Center 40 is at 4.745309 3.355641 -1.002244 Atomic Center 41 is at 4.191431 1.717768 -1.342229 Atomic Center 42 is at 4.895885 2.095835 0.224313 ESP Fit Center 43 is at 1.238711 -3.069963 1.632222 ESP Fit Center 44 is at 3.906938 -3.759971 0.556988 ESP Fit Center 45 is at 1.515490 -3.389383 -1.337626 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Fit Center 178 is at -4.954049 -0.807312 0.966599 ESP Fit Center 179 is at -4.804783 -1.200893 0.966599 ESP Fit Center 180 is at -4.565665 -1.547315 0.966599 ESP Fit Center 181 is at -5.097287 -1.008938 0.603537 ESP Fit Center 182 is at -4.921130 -1.389696 0.603537 ESP Fit Center 183 is at -4.667239 -1.723684 0.603537 ESP Fit Center 184 is at -5.059548 -1.388998 0.209591 ESP Fit Center 185 is at -4.821476 -1.731045 0.209591 ESP Fit Center 186 is at -5.004787 -1.556144 -0.200099 ESP Fit Center 187 is at -4.743625 -1.874370 -0.200099 ESP Fit Center 188 is at -5.059548 -1.388998 -0.609788 ESP Fit Center 189 is at -4.821476 -1.731045 -0.609788 ESP Fit Center 190 is at -4.519424 -2.018167 -0.609788 ESP Fit Center 191 is at -4.921130 -1.389696 -1.003734 ESP Fit Center 192 is at -4.667239 -1.723684 -1.003734 ESP Fit Center 193 is at -4.347486 -1.995284 -1.003734 ESP Fit Center 194 is at -4.804783 -1.200893 -1.366796 ESP Fit Center 195 is at -4.565665 -1.547315 -1.366796 ESP Fit Center 196 is 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251 is at -2.919560 -1.690393 -1.996695 ESP Fit Center 252 is at -2.625409 -1.984544 -1.996695 ESP Fit Center 253 is at -2.223591 -2.092211 -1.996695 ESP Fit Center 254 is at -1.821774 -1.984544 -1.996695 ESP Fit Center 255 is at -1.527623 -1.690393 -1.996695 ESP Fit Center 256 is at -1.813902 -1.288576 -2.116197 ESP Fit Center 257 is at -2.018747 -0.933774 -2.116197 ESP Fit Center 258 is at -2.428436 -0.933774 -2.116197 ESP Fit Center 259 is at -2.633281 -1.288576 -2.116197 ESP Fit Center 260 is at -2.428436 -1.643377 -2.116197 ESP Fit Center 261 is at -2.018747 -1.643377 -2.116197 ESP Fit Center 262 is at -2.223591 -1.288576 -2.156548 ESP Fit Center 263 is at -0.861938 -0.977708 2.030459 ESP Fit Center 264 is at -0.452248 -0.977708 1.990108 ESP Fit Center 265 is at -0.657093 -0.622906 1.990108 ESP Fit Center 266 is at -1.066783 -0.622906 1.990108 ESP Fit Center 267 is at -1.271628 -0.977708 1.990108 ESP Fit Center 268 is at -1.066783 -1.332509 1.990108 ESP Fit Center 269 is at 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ESP Fit Center 658 is at -3.991335 -2.989413 -1.434800 ESP Fit Center 659 is at -3.815758 -3.373872 -1.434800 ESP Fit Center 660 is at -3.538979 -3.693292 -1.434800 ESP Fit Center 661 is at -3.183420 -3.921796 -1.434800 ESP Fit Center 662 is at -3.558507 -1.956874 -1.695962 ESP Fit Center 663 is at -3.713393 -2.356681 -1.695962 ESP Fit Center 664 is at -3.713393 -2.785441 -1.695962 ESP Fit Center 665 is at -3.558507 -3.185248 -1.695962 ESP Fit Center 666 is at -3.269653 -3.502106 -1.695962 ESP Fit Center 667 is at -2.885842 -3.693221 -1.695962 ESP Fit Center 668 is at -1.762925 -2.571061 -1.890023 ESP Fit Center 669 is at -3.262529 -2.169244 -1.890023 ESP Fit Center 670 is at -3.370196 -2.571061 -1.890023 ESP Fit Center 671 is at -3.262529 -2.972879 -1.890023 ESP Fit Center 672 is at -2.968378 -3.267030 -1.890023 ESP Fit Center 673 is at -2.566560 -3.374696 -1.890023 ESP Fit Center 674 is at -2.164743 -3.267030 -1.890023 ESP Fit Center 675 is at -1.870592 -2.972879 -1.890023 ESP Fit Center 676 is at -2.156871 -2.571061 -2.009525 ESP Fit Center 677 is at -2.361715 -2.216259 -2.009525 ESP Fit Center 678 is at -2.771405 -2.216259 -2.009525 ESP Fit Center 679 is at -2.976250 -2.571061 -2.009525 ESP Fit Center 680 is at -2.771405 -2.925863 -2.009525 ESP Fit Center 681 is at -2.361715 -2.925863 -2.009525 ESP Fit Center 682 is at -2.566560 -2.571061 -2.049876 ESP Fit Center 683 is at 1.718391 -3.292502 1.840979 ESP Fit Center 684 is at 1.935799 -3.669064 1.840979 ESP Fit Center 685 is at 2.370615 -3.669064 1.840979 ESP Fit Center 686 is at 1.313207 -3.292502 1.673147 ESP Fit Center 687 is at 1.425746 -3.712502 1.673147 ESP Fit Center 688 is at 1.733207 -4.019964 1.673147 ESP Fit Center 689 is at 2.153207 -4.132502 1.673147 ESP Fit Center 690 is at 2.573207 -4.019964 1.673147 ESP Fit Center 691 is at 1.437314 -4.240499 1.406163 ESP Fit Center 692 is at 1.828112 -4.435093 1.406163 ESP Fit Center 693 is at 2.262816 -4.475374 1.406163 ESP Fit Center 694 is at 2.682717 -4.355902 1.406163 ESP Fit Center 695 is at 3.031105 -4.092812 1.406163 ESP Fit Center 696 is at 1.425746 -4.552502 1.058224 ESP Fit Center 697 is at 1.829456 -4.710947 1.058224 ESP Fit Center 698 is at 2.261934 -4.743357 1.058224 ESP Fit Center 699 is at 2.684750 -4.646852 1.058224 ESP Fit Center 700 is at 3.060337 -4.430007 1.058224 ESP Fit Center 701 is at 3.355321 -4.112090 1.058224 ESP Fit Center 702 is at 1.341829 -4.697850 0.653040 ESP Fit Center 703 is at 1.733207 -4.859964 0.653040 ESP Fit Center 704 is at 2.153207 -4.915258 0.653040 ESP Fit Center 705 is at 2.573207 -4.859964 0.653040 ESP Fit Center 706 is at 2.964585 -4.697850 0.653040 ESP Fit Center 707 is at 3.300669 -4.439964 0.653040 ESP Fit Center 708 is at 3.558555 -4.103880 0.653040 ESP Fit Center 709 is at 1.437898 -4.812612 0.218224 ESP Fit Center 710 is at 1.838407 -4.942745 0.218224 ESP Fit Center 711 is at 2.258695 -4.969187 0.218224 ESP Fit Center 712 is at 2.672356 -4.890277 0.218224 ESP Fit Center 713 is at 3.053396 -4.710973 0.218224 ESP Fit Center 714 is at 3.377874 -4.442542 0.218224 ESP Fit Center 715 is at 3.625402 -4.101849 0.218224 ESP Fit Center 716 is at 1.341829 -4.697850 -0.216592 ESP Fit Center 717 is at 1.733207 -4.859964 -0.216592 ESP Fit Center 718 is at 2.153207 -4.915258 -0.216592 ESP Fit Center 719 is at 2.573207 -4.859964 -0.216592 ESP Fit Center 720 is at 2.964585 -4.697850 -0.216592 ESP Fit Center 721 is at 3.300669 -4.439964 -0.216592 ESP Fit Center 722 is at 1.425746 -4.552502 -0.621776 ESP Fit Center 723 is at 1.829456 -4.710947 -0.621776 ESP Fit Center 724 is at 2.261934 -4.743357 -0.621776 ESP Fit Center 725 is at 2.684750 -4.646852 -0.621776 ESP Fit Center 726 is at 3.060337 -4.430007 -0.621776 ESP Fit Center 727 is at 1.437314 -4.240499 -0.969715 ESP Fit Center 728 is at 1.828112 -4.435093 -0.969715 ESP Fit Center 729 is at 2.262816 -4.475374 -0.969715 ESP Fit Center 730 is at 2.682717 -4.355902 -0.969715 ESP Fit Center 731 is at 1.425746 -3.712502 -1.236699 ESP Fit Center 732 is at 1.733207 -4.019964 -1.236699 ESP Fit Center 733 is at 2.153207 -4.132502 -1.236699 ESP Fit Center 734 is at 1.935799 -3.669064 -1.404531 ESP Fit Center 735 is at 5.161620 -2.786755 0.621226 ESP Fit Center 736 is at 4.741620 -3.514217 0.621226 ESP Fit Center 737 is at 5.049082 -3.206755 0.621226 ESP Fit Center 738 is at 5.509560 -2.786755 0.354242 ESP Fit Center 739 is at 5.429341 -2.357622 0.354242 ESP Fit Center 740 is at 5.199518 -1.986446 0.354242 ESP Fit Center 741 is at 3.996525 -3.929346 0.354242 ESP Fit Center 742 is at 4.431229 -3.969627 0.354242 ESP Fit Center 743 is at 4.851130 -3.850155 0.354242 ESP Fit Center 744 is at 5.199518 -3.587065 0.354242 ESP Fit Center 745 is at 5.429341 -3.215889 0.354242 ESP Fit Center 746 is at 5.776543 -2.786755 0.006303 ESP Fit Center 747 is at 5.711905 -2.357909 0.006303 ESP Fit Center 748 is at 5.523734 -1.967168 0.006303 ESP Fit Center 749 is at 3.997869 -4.205200 0.006303 ESP Fit Center 750 is at 4.430347 -4.237610 0.006303 ESP Fit Center 751 is at 4.853163 -4.141105 0.006303 ESP Fit Center 752 is at 5.228750 -3.924260 0.006303 ESP Fit Center 753 is at 5.523734 -3.606342 0.006303 ESP Fit Center 754 is at 5.711905 -3.215601 0.006303 ESP Fit Center 755 is at 5.944376 -2.786755 -0.398881 ESP Fit Center 756 is at 5.889082 -2.366755 -0.398881 ESP Fit Center 757 is at 5.726968 -1.975378 -0.398881 ESP Fit Center 758 is at 5.469082 -1.639294 -0.398881 ESP Fit Center 759 is at 3.510243 -4.192103 -0.398881 ESP Fit Center 760 is at 3.901620 -4.354217 -0.398881 ESP Fit Center 761 is at 4.321620 -4.409511 -0.398881 ESP Fit Center 762 is at 4.741620 -4.354217 -0.398881 ESP Fit Center 763 is at 5.132998 -4.192103 -0.398881 ESP Fit Center 764 is at 5.469082 -3.934217 -0.398881 ESP Fit Center 765 is at 5.726968 -3.598133 -0.398881 ESP Fit Center 766 is at 5.889082 -3.206755 -0.398881 ESP Fit Center 767 is at 6.001620 -2.786755 -0.833697 ESP Fit Center 768 is at 5.948840 -2.368956 -0.833697 ESP Fit Center 769 is at 5.793815 -1.977409 -0.833697 ESP Fit Center 770 is at 5.546288 -1.636716 -0.833697 ESP Fit Center 771 is at 3.606311 -4.306865 -0.833697 ESP Fit Center 772 is at 4.006820 -4.436998 -0.833697 ESP Fit Center 773 is at 4.427108 -4.463440 -0.833697 ESP Fit Center 774 is at 4.840769 -4.384530 -0.833697 ESP Fit Center 775 is at 5.221809 -4.205226 -0.833697 ESP Fit Center 776 is at 5.546288 -3.936794 -0.833697 ESP Fit Center 777 is at 5.793815 -3.596102 -0.833697 ESP Fit Center 778 is at 5.948840 -3.204554 -0.833697 ESP Fit Center 779 is at 5.944376 -2.786755 -1.268513 ESP Fit Center 780 is at 5.889082 -2.366755 -1.268513 ESP Fit Center 781 is at 5.726968 -1.975378 -1.268513 ESP Fit Center 782 is at 3.901620 -4.354217 -1.268513 ESP Fit Center 783 is at 4.321620 -4.409511 -1.268513 ESP Fit Center 784 is at 4.741620 -4.354217 -1.268513 ESP Fit Center 785 is at 5.132998 -4.192103 -1.268513 ESP Fit Center 786 is at 5.469082 -3.934217 -1.268513 ESP Fit Center 787 is at 5.726968 -3.598133 -1.268513 ESP Fit Center 788 is at 5.889082 -3.206755 -1.268513 ESP Fit Center 789 is at 5.776543 -2.786755 -1.673697 ESP Fit Center 790 is at 5.711905 -2.357909 -1.673697 ESP Fit Center 791 is at 5.523734 -1.967168 -1.673697 ESP Fit Center 792 is at 3.997869 -4.205200 -1.673697 ESP Fit Center 793 is at 4.430347 -4.237610 -1.673697 ESP Fit Center 794 is at 4.853163 -4.141105 -1.673697 ESP Fit Center 795 is at 5.228750 -3.924260 -1.673697 ESP Fit Center 796 is at 5.523734 -3.606342 -1.673697 ESP Fit Center 797 is at 5.711905 -3.215601 -1.673697 ESP Fit Center 798 is at 5.509560 -2.786755 -2.021637 ESP Fit Center 799 is at 5.429341 -2.357622 -2.021637 ESP Fit Center 800 is at 3.996525 -3.929346 -2.021637 ESP Fit Center 801 is at 4.431229 -3.969627 -2.021637 ESP Fit Center 802 is at 4.851130 -3.850155 -2.021637 ESP Fit Center 803 is at 5.199518 -3.587065 -2.021637 ESP Fit Center 804 is at 5.429341 -3.215889 -2.021637 ESP Fit Center 805 is at 5.161620 -2.786755 -2.288620 ESP Fit Center 806 is at 4.321620 -3.626755 -2.288620 ESP Fit Center 807 is at 4.741620 -3.514217 -2.288620 ESP Fit Center 808 is at 5.049082 -3.206755 -2.288620 ESP Fit Center 809 is at 1.593863 -3.253027 -1.500644 ESP Fit Center 810 is at 1.851749 -3.589111 -1.500644 ESP Fit Center 811 is at 2.187833 -3.846997 -1.500644 ESP Fit Center 812 is at 2.579211 -4.009111 -1.500644 ESP Fit Center 813 is at 1.332458 -2.652209 -1.935460 ESP Fit Center 814 is at 1.437186 -3.060099 -1.935460 ESP Fit Center 815 is at 1.640062 -3.429129 -1.935460 ESP Fit Center 816 is at 1.928338 -3.736112 -1.935460 ESP Fit Center 817 is at 2.283902 -3.961759 -1.935460 ESP Fit Center 818 is at 2.684410 -4.091892 -1.935460 ESP Fit Center 819 is at 3.104699 -4.118334 -1.935460 ESP Fit Center 820 is at 3.518359 -4.039425 -1.935460 ESP Fit Center 821 is at 2.187833 -1.036302 -2.370276 ESP Fit Center 822 is at 1.851749 -1.294188 -2.370276 ESP Fit Center 823 is at 1.593863 -1.630272 -2.370276 ESP Fit Center 824 is at 1.431749 -2.021650 -2.370276 ESP Fit Center 825 is at 1.376455 -2.441650 -2.370276 ESP Fit Center 826 is at 1.431749 -2.861650 -2.370276 ESP Fit Center 827 is at 1.593863 -3.253027 -2.370276 ESP Fit Center 828 is at 1.851749 -3.589111 -2.370276 ESP Fit Center 829 is at 2.187833 -3.846997 -2.370276 ESP Fit Center 830 is at 2.579211 -4.009111 -2.370276 ESP Fit Center 831 is at 2.999211 -4.064405 -2.370276 ESP Fit Center 832 is at 3.419211 -4.009111 -2.370276 ESP Fit Center 833 is at 3.810588 -3.846997 -2.370276 ESP Fit Center 834 is at 4.146672 -3.589111 -2.370276 ESP Fit Center 835 is at 3.107937 -0.990795 -2.775460 ESP Fit Center 836 is at 2.675460 -1.023205 -2.775460 ESP Fit Center 837 is at 2.271749 -1.181650 -2.775460 ESP Fit Center 838 is at 1.932677 -1.452051 -2.775460 ESP Fit Center 839 is at 1.688371 -1.810382 -2.775460 ESP Fit Center 840 is at 1.560538 -2.224805 -2.775460 ESP Fit Center 841 is at 1.560538 -2.658495 -2.775460 ESP Fit Center 842 is at 1.688371 -3.072917 -2.775460 ESP Fit Center 843 is at 1.932677 -3.431248 -2.775460 ESP Fit Center 844 is at 2.271749 -3.701650 -2.775460 ESP Fit Center 845 is at 2.675460 -3.860094 -2.775460 ESP Fit Center 846 is at 3.107937 -3.892504 -2.775460 ESP Fit Center 847 is at 3.530754 -3.795999 -2.775460 ESP Fit Center 848 is at 3.906340 -3.579154 -2.775460 ESP Fit Center 849 is at 4.201324 -3.261237 -2.775460 ESP Fit Center 850 is at 4.389495 -2.870496 -2.775460 ESP Fit Center 851 is at 4.187150 -2.441650 -3.123399 ESP Fit Center 852 is at 4.106931 -2.012516 -3.123399 ESP Fit Center 853 is at 3.877109 -1.641340 -3.123399 ESP Fit Center 854 is at 3.528721 -1.378250 -3.123399 ESP Fit Center 855 is at 3.108820 -1.258778 -3.123399 ESP Fit Center 856 is at 2.674116 -1.299059 -3.123399 ESP Fit Center 857 is at 2.283317 -1.493653 -3.123399 ESP Fit Center 858 is at 1.989204 -1.816280 -3.123399 ESP Fit Center 859 is at 1.831498 -2.223366 -3.123399 ESP Fit Center 860 is at 1.831498 -2.659933 -3.123399 ESP Fit Center 861 is at 1.989204 -3.067019 -3.123399 ESP Fit Center 862 is at 2.283317 -3.389646 -3.123399 ESP Fit Center 863 is at 2.674116 -3.584240 -3.123399 ESP Fit Center 864 is at 3.108820 -3.624521 -3.123399 ESP Fit Center 865 is at 3.528721 -3.505049 -3.123399 ESP Fit Center 866 is at 3.877109 -3.241959 -3.123399 ESP Fit Center 867 is at 4.106931 -2.870783 -3.123399 ESP Fit Center 868 is at 3.839211 -2.441650 -3.390382 ESP Fit Center 869 is at 3.726672 -2.021650 -3.390382 ESP Fit Center 870 is at 3.419211 -1.714188 -3.390382 ESP Fit Center 871 is at 2.999211 -1.601650 -3.390382 ESP Fit Center 872 is at 2.579211 -1.714188 -3.390382 ESP Fit Center 873 is at 2.271749 -2.021650 -3.390382 ESP Fit Center 874 is at 2.159211 -2.441650 -3.390382 ESP Fit Center 875 is at 2.271749 -2.861650 -3.390382 ESP Fit Center 876 is at 2.579211 -3.169111 -3.390382 ESP Fit Center 877 is at 2.999211 -3.281650 -3.390382 ESP Fit Center 878 is at 3.419211 -3.169111 -3.390382 ESP Fit Center 879 is at 3.726672 -2.861650 -3.390382 ESP Fit Center 880 is at 3.434027 -2.441650 -3.558215 ESP Fit Center 881 is at 3.216619 -2.065088 -3.558215 ESP Fit Center 882 is at 2.781803 -2.065088 -3.558215 ESP Fit Center 883 is at 2.564395 -2.441650 -3.558215 ESP Fit Center 884 is at 2.781803 -2.818211 -3.558215 ESP Fit Center 885 is at 3.216619 -2.818211 -3.558215 ESP Fit Center 886 is at 2.999211 -2.441650 -3.615460 ESP Fit Center 887 is at 2.190157 0.672608 1.840503 ESP Fit Center 888 is at 2.599846 0.672608 1.800152 ESP Fit Center 889 is at 1.780467 0.672608 1.800152 ESP Fit Center 890 is at 1.985312 0.317807 1.800152 ESP Fit Center 891 is at 2.395002 0.317807 1.800152 ESP Fit Center 892 is at 2.993792 0.672608 1.680650 ESP Fit Center 893 is at 2.886125 0.270791 1.680650 ESP Fit Center 894 is at 3.356854 0.672608 1.486589 ESP Fit Center 895 is at 3.278070 0.251149 1.486589 ESP Fit Center 896 is at 3.675081 0.672608 1.225428 ESP Fit Center 897 is at 3.614931 1.090960 1.225428 ESP Fit Center 898 is at 3.614931 0.254257 1.225428 ESP Fit Center 899 is at 3.936243 0.672608 0.907201 ESP Fit Center 900 is at 3.885505 0.254743 0.907201 ESP Fit Center 901 is at 3.950986 -0.142038 0.544139 ESP Fit Center 902 is at 4.084944 0.255534 0.544139 ESP Fit Center 903 is at 4.207645 0.258004 0.150193 ESP Fit Center 904 is at 0.940959 1.475419 -1.744421 ESP Fit Center 905 is at 1.487064 1.603653 -2.005583 ESP Fit Center 906 is at 1.198211 1.286796 -2.005583 ESP Fit Center 907 is at 1.043324 0.886989 -2.005583 ESP Fit Center 908 is at 2.297806 -0.489112 -2.005583 ESP Fit Center 909 is at 3.278070 0.251149 -2.005583 ESP Fit Center 910 is at 2.993792 0.672608 -2.199644 ESP Fit Center 911 is at 2.886125 1.074426 -2.199644 ESP Fit Center 912 is at 2.591974 1.368577 -2.199644 ESP Fit Center 913 is at 2.190157 1.476244 -2.199644 ESP Fit Center 914 is at 1.788339 1.368577 -2.199644 ESP Fit Center 915 is at 1.494188 1.074426 -2.199644 ESP Fit Center 916 is at 1.386522 0.672608 -2.199644 ESP Fit Center 917 is at 1.494188 0.270791 -2.199644 ESP Fit Center 918 is at 1.788339 -0.023360 -2.199644 ESP Fit Center 919 is at 2.190157 -0.131027 -2.199644 ESP Fit Center 920 is at 2.591974 -0.023360 -2.199644 ESP Fit Center 921 is at 2.886125 0.270791 -2.199644 ESP Fit Center 922 is at 2.599846 0.672608 -2.319146 ESP Fit Center 923 is at 2.395002 1.027410 -2.319146 ESP Fit Center 924 is at 1.985312 1.027410 -2.319146 ESP Fit Center 925 is at 1.780467 0.672608 -2.319146 ESP Fit Center 926 is at 1.985312 0.317807 -2.319146 ESP Fit Center 927 is at 2.395002 0.317807 -2.319146 ESP Fit Center 928 is at 2.190157 0.672608 -2.359497 ESP Fit Center 929 is at 4.545383 -0.697651 0.354282 ESP Fit Center 930 is at 4.237922 -0.390190 0.354282 ESP Fit Center 931 is at 5.005861 -1.117651 0.087299 ESP Fit Center 932 is at 4.925642 -0.688518 0.087299 ESP Fit Center 933 is at 4.695820 -0.317342 0.087299 ESP Fit Center 934 is at 4.347432 -0.054252 0.087299 ESP Fit Center 935 is at 5.272845 -1.117651 -0.260641 ESP Fit Center 936 is at 5.208206 -0.688805 -0.260641 ESP Fit Center 937 is at 5.020035 -0.298064 -0.260641 ESP Fit Center 938 is at 4.725051 0.019853 -0.260641 ESP Fit Center 939 is at 4.349465 0.236698 -0.260641 ESP Fit Center 940 is at 5.440677 -1.117651 -0.665825 ESP Fit Center 941 is at 5.385383 -0.697651 -0.665825 ESP Fit Center 942 is at 5.223269 -0.306274 -0.665825 ESP Fit Center 943 is at 4.965383 0.029810 -0.665825 ESP Fit Center 944 is at 5.497922 -1.117651 -1.100641 ESP Fit Center 945 is at 5.445142 -0.699852 -1.100641 ESP Fit Center 946 is at 5.290117 -0.308305 -1.100641 ESP Fit Center 947 is at 5.042589 0.032388 -1.100641 ESP Fit Center 948 is at 5.440677 -1.117651 -1.535457 ESP Fit Center 949 is at 5.385383 -0.697651 -1.535457 ESP Fit Center 950 is at 5.223269 -0.306274 -1.535457 ESP Fit Center 951 is at 4.965383 0.029810 -1.535457 ESP Fit Center 952 is at 5.272845 -1.117651 -1.940641 ESP Fit Center 953 is at 5.208206 -0.688805 -1.940641 ESP Fit Center 954 is at 5.020035 -0.298064 -1.940641 ESP Fit Center 955 is at 4.725051 0.019853 -1.940641 ESP Fit Center 956 is at 3.494171 0.300793 -1.940641 ESP Fit Center 957 is at 5.005861 -1.117651 -2.288580 ESP Fit Center 958 is at 4.925642 -0.688518 -2.288580 ESP Fit Center 959 is at 4.695820 -0.317342 -2.288580 ESP Fit Center 960 is at 4.347432 -0.054252 -2.288580 ESP Fit Center 961 is at 3.927531 0.065220 -2.288580 ESP Fit Center 962 is at 3.492827 0.024939 -2.288580 ESP Fit Center 963 is at 3.102028 -0.169655 -2.288580 ESP Fit Center 964 is at 2.807915 -0.492282 -2.288580 ESP Fit Center 965 is at 4.657922 -1.117651 -2.555563 ESP Fit Center 966 is at 4.545383 -0.697651 -2.555563 ESP Fit Center 967 is at 4.237922 -0.390190 -2.555563 ESP Fit Center 968 is at 3.817922 -0.277651 -2.555563 ESP Fit Center 969 is at 3.397922 -0.390190 -2.555563 ESP Fit Center 970 is at 3.090461 -0.697651 -2.555563 ESP Fit Center 971 is at 4.252738 -1.117651 -2.723396 ESP Fit Center 972 is at 4.035330 -0.741090 -2.723396 ESP Fit Center 973 is at 3.600514 -0.741090 -2.723396 ESP Fit Center 974 is at 3.804650 -2.398499 3.233059 ESP Fit Center 975 is at 4.239466 -2.398499 3.175814 ESP Fit Center 976 is at 4.022058 -2.021937 3.175814 ESP Fit Center 977 is at 3.587242 -2.775060 3.175814 ESP Fit Center 978 is at 4.022058 -2.775060 3.175814 ESP Fit Center 979 is at 4.644650 -2.398499 3.007982 ESP Fit Center 980 is at 4.532111 -1.978499 3.007982 ESP Fit Center 981 is at 4.224650 -1.671037 3.007982 ESP Fit Center 982 is at 3.384650 -3.125960 3.007982 ESP Fit Center 983 is at 3.804650 -3.238499 3.007982 ESP Fit Center 984 is at 4.224650 -3.125960 3.007982 ESP Fit Center 985 is at 4.532111 -2.818499 3.007982 ESP Fit Center 986 is at 4.992589 -2.398499 2.740998 ESP Fit Center 987 is at 4.912370 -1.969366 2.740998 ESP Fit Center 988 is at 4.682548 -1.598189 2.740998 ESP Fit Center 989 is at 3.088756 -3.346495 2.740998 ESP Fit Center 990 is at 3.479555 -3.541089 2.740998 ESP Fit Center 991 is at 3.914259 -3.581371 2.740998 ESP Fit Center 992 is at 4.334160 -3.461899 2.740998 ESP Fit Center 993 is at 4.682548 -3.198808 2.740998 ESP Fit Center 994 is at 4.912370 -2.827632 2.740998 ESP Fit Center 995 is at 5.259572 -2.398499 2.393059 ESP Fit Center 996 is at 5.194934 -1.969653 2.393059 ESP Fit Center 997 is at 5.006763 -1.578912 2.393059 ESP Fit Center 998 is at 4.711779 -1.260994 2.393059 ESP Fit Center 999 is at 3.077188 -3.658499 2.393059 ESP Fit Center 1000 is at 3.480899 -3.816944 2.393059 ESP Fit Center 1001 is at 3.913376 -3.849353 2.393059 ESP Fit Center 1002 is at 4.336193 -3.752848 2.393059 ESP Fit Center 1003 is at 4.711779 -3.536003 2.393059 ESP Fit Center 1004 is at 5.006763 -3.218086 2.393059 ESP Fit Center 1005 is at 5.194934 -2.827345 2.393059 ESP Fit Center 1006 is at 5.427405 -2.398499 1.987875 ESP Fit Center 1007 is at 5.372111 -1.978499 1.987875 ESP Fit Center 1008 is at 5.209997 -1.587121 1.987875 ESP Fit Center 1009 is at 4.952111 -1.251037 1.987875 ESP Fit Center 1010 is at 2.993272 -3.803846 1.987875 ESP Fit Center 1011 is at 3.384650 -3.965960 1.987875 ESP Fit Center 1012 is at 3.804650 -4.021254 1.987875 ESP Fit Center 1013 is at 4.224650 -3.965960 1.987875 ESP Fit Center 1014 is at 4.616027 -3.803846 1.987875 ESP Fit Center 1015 is at 4.952111 -3.545960 1.987875 ESP Fit Center 1016 is at 5.209997 -3.209876 1.987875 ESP Fit Center 1017 is at 5.372111 -2.818499 1.987875 ESP Fit Center 1018 is at 5.484650 -2.398499 1.553059 ESP Fit Center 1019 is at 5.431869 -1.980700 1.553059 ESP Fit Center 1020 is at 5.276845 -1.589153 1.553059 ESP Fit Center 1021 is at 5.029317 -1.248460 1.553059 ESP Fit Center 1022 is at 3.089341 -3.918608 1.553059 ESP Fit Center 1023 is at 3.489849 -4.048741 1.553059 ESP Fit Center 1024 is at 3.910138 -4.075184 1.553059 ESP Fit Center 1025 is at 4.323798 -3.996274 1.553059 ESP Fit Center 1026 is at 4.704839 -3.816970 1.553059 ESP Fit Center 1027 is at 5.029317 -3.548538 1.553059 ESP Fit Center 1028 is at 5.276845 -3.207845 1.553059 ESP Fit Center 1029 is at 5.431869 -2.816298 1.553059 ESP Fit Center 1030 is at 5.427405 -2.398499 1.118243 ESP Fit Center 1031 is at 5.372111 -1.978499 1.118243 ESP Fit Center 1032 is at 5.209997 -1.587121 1.118243 ESP Fit Center 1033 is at 4.952111 -1.251037 1.118243 ESP Fit Center 1034 is at 3.804650 -4.021254 1.118243 ESP Fit Center 1035 is at 4.224650 -3.965960 1.118243 ESP Fit Center 1036 is at 4.616027 -3.803846 1.118243 ESP Fit Center 1037 is at 4.952111 -3.545960 1.118243 ESP Fit Center 1038 is at 5.209997 -3.209876 1.118243 ESP Fit Center 1039 is at 5.372111 -2.818499 1.118243 ESP Fit Center 1040 is at 5.259572 -2.398499 0.713059 ESP Fit Center 1041 is at 5.194934 -1.969653 0.713059 ESP Fit Center 1042 is at 5.006763 -1.578912 0.713059 ESP Fit Center 1043 is at 3.913376 -3.849353 0.713059 ESP Fit Center 1044 is at 4.336193 -3.752848 0.713059 ESP Fit Center 1045 is at 4.711779 -3.536003 0.713059 ESP Fit Center 1046 is at 5.006763 -3.218086 0.713059 ESP Fit Center 1047 is at 5.194934 -2.827345 0.713059 ESP Fit Center 1048 is at 2.010975 1.897243 2.141604 ESP Fit Center 1049 is at 2.420664 1.897243 2.101253 ESP Fit Center 1050 is at 2.215820 2.252044 2.101253 ESP Fit Center 1051 is at 1.806130 2.252044 2.101253 ESP Fit Center 1052 is at 1.601285 1.897243 2.101253 ESP Fit Center 1053 is at 1.806130 1.542441 2.101253 ESP Fit Center 1054 is at 2.215820 1.542441 2.101253 ESP Fit Center 1055 is at 2.814610 1.897243 1.981751 ESP Fit Center 1056 is at 2.706943 2.299060 1.981751 ESP Fit Center 1057 is at 2.412792 2.593211 1.981751 ESP Fit Center 1058 is at 2.010975 2.700878 1.981751 ESP Fit Center 1059 is at 1.315006 1.495425 1.981751 ESP Fit Center 1060 is at 1.609157 1.201274 1.981751 ESP Fit Center 1061 is at 2.010975 1.093607 1.981751 ESP Fit Center 1062 is at 2.412792 1.201274 1.981751 ESP Fit Center 1063 is at 2.706943 1.495425 1.981751 ESP Fit Center 1064 is at 3.177672 1.897243 1.787690 ESP Fit Center 1065 is at 1.307882 0.966198 1.787690 ESP Fit Center 1066 is at 1.691693 0.775083 1.787690 ESP Fit Center 1067 is at 2.873175 1.111244 1.787690 ESP Fit Center 1068 is at 3.098888 1.475783 1.787690 ESP Fit Center 1069 is at 3.260173 1.094432 1.526528 ESP Fit Center 1070 is at 3.435749 1.478891 1.526528 ESP Fit Center 1071 is at 0.922189 3.503081 -0.762032 ESP Fit Center 1072 is at 1.019085 3.334243 -1.125094 ESP Fit Center 1073 is at 0.704010 3.055112 -1.125094 ESP Fit Center 1074 is at 0.464892 2.708689 -1.125094 ESP Fit Center 1075 is at 0.315627 2.315108 -1.125094 ESP Fit Center 1076 is at 1.038556 3.019473 -1.443321 ESP Fit Center 1077 is at 0.761777 2.700053 -1.443321 ESP Fit Center 1078 is at 0.586200 2.315594 -1.443321 ESP Fit Center 1079 is at 0.526051 1.897243 -1.443321 ESP Fit Center 1080 is at 1.307882 2.828287 -1.704483 ESP Fit Center 1081 is at 1.019029 2.511430 -1.704483 ESP Fit Center 1082 is at 0.864143 2.111623 -1.704483 ESP Fit Center 1083 is at 0.864143 1.682862 -1.704483 ESP Fit Center 1084 is at 1.609157 2.593211 -1.898543 ESP Fit Center 1085 is at 1.315006 2.299060 -1.898543 ESP Fit Center 1086 is at 1.207340 1.897243 -1.898543 ESP Fit Center 1087 is at 2.420664 1.897243 -2.018045 ESP Fit Center 1088 is at 2.215820 2.252044 -2.018045 ESP Fit Center 1089 is at 1.806130 2.252044 -2.018045 ESP Fit Center 1090 is at 1.601285 1.897243 -2.018045 ESP Fit Center 1091 is at 2.010975 1.897243 -2.058396 ESP Fit Center 1092 is at -2.401408 -4.502569 1.862267 ESP Fit Center 1093 is at -2.184000 -4.879130 1.862267 ESP Fit Center 1094 is at -1.749184 -4.879130 1.862267 ESP Fit Center 1095 is at -2.806592 -4.502569 1.694435 ESP Fit Center 1096 is at -2.694053 -4.922569 1.694435 ESP Fit Center 1097 is at -2.386592 -5.230030 1.694435 ESP Fit Center 1098 is at -1.966592 -5.342569 1.694435 ESP Fit Center 1099 is at -1.546592 -5.230030 1.694435 ESP Fit Center 1100 is at -1.239130 -4.922569 1.694435 ESP Fit Center 1101 is at -3.134304 -4.284285 1.427451 ESP Fit Center 1102 is at -3.134304 -4.720852 1.427451 ESP Fit Center 1103 is at -2.976598 -5.127938 1.427451 ESP Fit Center 1104 is at -2.682485 -5.450565 1.427451 ESP Fit Center 1105 is at -2.291687 -5.645159 1.427451 ESP Fit Center 1106 is at -1.856982 -5.685440 1.427451 ESP Fit Center 1107 is at -1.437081 -5.565968 1.427451 ESP Fit Center 1108 is at -1.088694 -5.302878 1.427451 ESP Fit Center 1109 is at -3.405264 -4.285724 1.079512 ESP Fit Center 1110 is at -3.405264 -4.719413 1.079512 ESP Fit Center 1111 is at -3.277432 -5.133836 1.079512 ESP Fit Center 1112 is at -3.033125 -5.492167 1.079512 ESP Fit Center 1113 is at -2.694053 -5.762569 1.079512 ESP Fit Center 1114 is at -2.290342 -5.921013 1.079512 ESP Fit Center 1115 is at -1.857865 -5.953423 1.079512 ESP Fit Center 1116 is at -1.435049 -5.856918 1.079512 ESP Fit Center 1117 is at -1.059462 -5.640073 1.079512 ESP Fit Center 1118 is at -0.764478 -5.322156 1.079512 ESP Fit Center 1119 is at -3.589347 -4.502569 0.674328 ESP Fit Center 1120 is at -3.534053 -4.922569 0.674328 ESP Fit Center 1121 is at -3.371939 -5.313946 0.674328 ESP Fit Center 1122 is at -3.114053 -5.650030 0.674328 ESP Fit Center 1123 is at -2.777969 -5.907916 0.674328 ESP Fit Center 1124 is at -2.386592 -6.070030 0.674328 ESP Fit Center 1125 is at -1.966592 -6.125324 0.674328 ESP Fit Center 1126 is at -1.546592 -6.070030 0.674328 ESP Fit Center 1127 is at -1.155214 -5.907916 0.674328 ESP Fit Center 1128 is at -0.819130 -5.650030 0.674328 ESP Fit Center 1129 is at -3.633344 -4.713128 0.239512 ESP Fit Center 1130 is at -3.528616 -5.121018 0.239512 ESP Fit Center 1131 is at -3.325740 -5.490048 0.239512 ESP Fit Center 1132 is at -3.037464 -5.797031 0.239512 ESP Fit Center 1133 is at -2.681901 -6.022678 0.239512 ESP Fit Center 1134 is at -2.281392 -6.152811 0.239512 ESP Fit Center 1135 is at -1.861103 -6.179253 0.239512 ESP Fit Center 1136 is at -1.447443 -6.100343 0.239512 ESP Fit Center 1137 is at -1.066403 -5.921039 0.239512 ESP Fit Center 1138 is at -0.741924 -5.652608 0.239512 ESP Fit Center 1139 is at -3.589347 -4.502569 -0.195304 ESP Fit Center 1140 is at -3.534053 -4.922569 -0.195304 ESP Fit Center 1141 is at -3.371939 -5.313946 -0.195304 ESP Fit Center 1142 is at -3.114053 -5.650030 -0.195304 ESP Fit Center 1143 is at -2.777969 -5.907916 -0.195304 ESP Fit Center 1144 is at -2.386592 -6.070030 -0.195304 ESP Fit Center 1145 is at -1.966592 -6.125324 -0.195304 ESP Fit Center 1146 is at -1.546592 -6.070030 -0.195304 ESP Fit Center 1147 is at -1.155214 -5.907916 -0.195304 ESP Fit Center 1148 is at -0.819130 -5.650030 -0.195304 ESP Fit Center 1149 is at -3.405264 -4.719413 -0.600488 ESP Fit Center 1150 is at -3.277432 -5.133836 -0.600488 ESP Fit Center 1151 is at -3.033125 -5.492167 -0.600488 ESP Fit Center 1152 is at -2.694053 -5.762569 -0.600488 ESP Fit Center 1153 is at -2.290342 -5.921013 -0.600488 ESP Fit Center 1154 is at -1.857865 -5.953423 -0.600488 ESP Fit Center 1155 is at -1.435049 -5.856918 -0.600488 ESP Fit Center 1156 is at -1.059462 -5.640073 -0.600488 ESP Fit Center 1157 is at -0.764478 -5.322156 -0.600488 ESP Fit Center 1158 is at -3.134304 -4.720852 -0.948427 ESP Fit Center 1159 is at -2.976598 -5.127938 -0.948427 ESP Fit Center 1160 is at -2.682485 -5.450565 -0.948427 ESP Fit Center 1161 is at -2.291687 -5.645159 -0.948427 ESP Fit Center 1162 is at -1.856982 -5.685440 -0.948427 ESP Fit Center 1163 is at -1.437081 -5.565968 -0.948427 ESP Fit Center 1164 is at -1.088694 -5.302878 -0.948427 ESP Fit Center 1165 is at -2.694053 -4.922569 -1.215411 ESP Fit Center 1166 is at -2.386592 -5.230030 -1.215411 ESP Fit Center 1167 is at -1.966592 -5.342569 -1.215411 ESP Fit Center 1168 is at -1.546592 -5.230030 -1.215411 ESP Fit Center 1169 is at -2.184000 -4.879130 -1.383243 ESP Fit Center 1170 is at -3.115630 0.799379 2.323043 ESP Fit Center 1171 is at -2.910785 1.154181 2.282692 ESP Fit Center 1172 is at -3.320475 1.154181 2.282692 ESP Fit Center 1173 is at -3.525320 0.799379 2.282692 ESP Fit Center 1174 is at -3.320475 0.444577 2.282692 ESP Fit Center 1175 is at -2.910785 0.444577 2.282692 ESP Fit Center 1176 is at -3.115630 1.603014 2.163190 ESP Fit Center 1177 is at -3.517448 1.495348 2.163190 ESP Fit Center 1178 is at -3.811599 1.201197 2.163190 ESP Fit Center 1179 is at -3.919265 0.799379 2.163190 ESP Fit Center 1180 is at -3.811599 0.397561 2.163190 ESP Fit Center 1181 is at -3.517448 0.103411 2.163190 ESP Fit Center 1182 is at -3.115630 -0.004256 2.163190 ESP Fit Center 1183 is at -2.713813 0.103411 2.163190 ESP Fit Center 1184 is at -4.262462 0.584999 1.969129 ESP Fit Center 1185 is at -4.107576 0.185192 1.969129 ESP Fit Center 1186 is at -3.818723 -0.131666 1.969129 ESP Fit Center 1187 is at -3.434912 -0.322781 1.969129 ESP Fit Center 1188 is at -3.007981 -0.362342 1.969129 ESP Fit Center 1189 is at -2.595588 -0.245006 1.969129 ESP Fit Center 1190 is at -2.253430 0.013380 1.969129 ESP Fit Center 1191 is at -4.540405 0.381028 1.707967 ESP Fit Center 1192 is at -4.364828 -0.003432 1.707967 ESP Fit Center 1193 is at -4.661713 -0.012068 1.389740 ESP Fit Center 1194 is at -1.859606 2.278085 -0.580592 ESP Fit Center 1195 is at -1.569548 1.610826 -0.943655 ESP Fit Center 1196 is at -1.808666 1.957248 -0.943655 ESP Fit Center 1197 is at -2.123740 2.236380 -0.943655 ESP Fit Center 1198 is at -1.690856 1.217731 -1.261881 ESP Fit Center 1199 is at -1.866432 1.602190 -1.261881 ESP Fit Center 1200 is at -2.143212 1.921610 -1.261881 ESP Fit Center 1201 is at -2.498770 2.150114 -1.261881 ESP Fit Center 1202 is at -1.948933 0.799379 -1.523043 ESP Fit Center 1203 is at -2.027717 1.220839 -1.523043 ESP Fit Center 1204 is at -2.253430 1.585378 -1.523043 ESP Fit Center 1205 is at -2.595588 1.843764 -1.523043 ESP Fit Center 1206 is at -2.311995 0.799379 -1.717104 ESP Fit Center 1207 is at -2.419662 1.201197 -1.717104 ESP Fit Center 1208 is at -2.713813 1.495348 -1.717104 ESP Fit Center 1209 is at -2.910785 1.154181 -1.836606 ESP Fit Center 1210 is at -3.320475 1.154181 -1.836606 ESP Fit Center 1211 is at -2.225494 1.143866 2.403969 ESP Fit Center 1212 is at -1.790678 1.143866 2.346724 ESP Fit Center 1213 is at -2.008086 1.520428 2.346724 ESP Fit Center 1214 is at -2.442902 1.520428 2.346724 ESP Fit Center 1215 is at -2.660310 1.143866 2.346724 ESP Fit Center 1216 is at -2.442902 0.767304 2.346724 ESP Fit Center 1217 is at -2.008086 0.767304 2.346724 ESP Fit Center 1218 is at -1.385494 1.143866 2.178891 ESP Fit Center 1219 is at -1.498033 1.563866 2.178891 ESP Fit Center 1220 is at -1.805494 1.871327 2.178891 ESP Fit Center 1221 is at -2.225494 1.983866 2.178891 ESP Fit Center 1222 is at -2.645494 1.871327 2.178891 ESP Fit Center 1223 is at -2.952956 1.563866 2.178891 ESP Fit Center 1224 is at -2.225494 0.303866 2.178891 ESP Fit Center 1225 is at -1.805494 0.416405 2.178891 ESP Fit Center 1226 is at -1.498033 0.723866 2.178891 ESP Fit Center 1227 is at -1.037555 1.143866 1.911908 ESP Fit Center 1228 is at -1.117774 1.572999 1.911908 ESP Fit Center 1229 is at -1.347597 1.944176 1.911908 ESP Fit Center 1230 is at -1.695984 2.207266 1.911908 ESP Fit Center 1231 is at -2.115885 -0.039006 1.911908 ESP Fit Center 1232 is at -1.695984 0.080466 1.911908 ESP Fit Center 1233 is at -1.347597 0.343556 1.911908 ESP Fit Center 1234 is at -1.117774 0.714733 1.911908 ESP Fit Center 1235 is at -0.835210 1.572712 1.563969 ESP Fit Center 1236 is at -1.023381 1.963453 1.563969 ESP Fit Center 1237 is at -1.318365 2.281370 1.563969 ESP Fit Center 1238 is at -0.820147 1.955244 1.158785 ESP Fit Center 1239 is at -1.078033 2.291327 1.158785 ESP Fit Center 1240 is at -1.000827 2.293905 0.723969 ESP Fit Center 1241 is at -1.325305 2.562337 0.723969 ESP Fit Center 1242 is at -1.078033 2.291327 0.289153 ESP Fit Center 1243 is at -1.414117 2.549213 0.289153 ESP Fit Center 1244 is at -1.318365 2.281370 -0.116031 ESP Fit Center 1245 is at -1.693951 2.498215 -0.116031 ESP Fit Center 1246 is at -1.347597 1.944176 -0.463971 ESP Fit Center 1247 is at -1.695984 2.207266 -0.463971 ESP Fit Center 1248 is at -4.078168 1.732827 2.215971 ESP Fit Center 1249 is at -3.668479 1.732827 2.175620 ESP Fit Center 1250 is at -4.487858 1.732827 2.175620 ESP Fit Center 1251 is at -4.283013 1.378025 2.175620 ESP Fit Center 1252 is at -3.873324 1.378025 2.175620 ESP Fit Center 1253 is at -4.774137 2.134644 2.056118 ESP Fit Center 1254 is at -4.881804 1.732827 2.056118 ESP Fit Center 1255 is at -4.774137 1.331009 2.056118 ESP Fit Center 1256 is at -4.479986 1.036858 2.056118 ESP Fit Center 1257 is at -5.225001 1.947207 1.862057 ESP Fit Center 1258 is at -5.225001 1.518446 1.862057 ESP Fit Center 1259 is at -5.070115 1.118639 1.862057 ESP Fit Center 1260 is at -4.781261 0.801782 1.862057 ESP Fit Center 1261 is at -5.502943 2.151178 1.600896 ESP Fit Center 1262 is at -5.563093 1.732827 1.600896 ESP Fit Center 1263 is at -5.502943 1.314475 1.600896 ESP Fit Center 1264 is at -5.327366 0.930016 1.600896 ESP Fit Center 1265 is at -5.050587 0.610596 1.600896 ESP Fit Center 1266 is at -4.695028 0.382092 1.600896 ESP Fit Center 1267 is at -5.070058 0.295826 1.282669 ESP Fit Center 1268 is at -2.653394 2.151178 -1.368953 ESP Fit Center 1269 is at -2.828971 2.535637 -1.368953 ESP Fit Center 1270 is at -2.990255 2.154286 -1.630115 ESP Fit Center 1271 is at -3.215969 2.518826 -1.630115 ESP Fit Center 1272 is at -3.274533 1.732827 -1.824176 ESP Fit Center 1273 is at -3.382200 2.134644 -1.824176 ESP Fit Center 1274 is at -3.676351 2.428795 -1.824176 ESP Fit Center 1275 is at -3.382200 1.331009 -1.824176 ESP Fit Center 1276 is at -5.712817 1.451382 1.457523 ESP Fit Center 1277 is at -5.999096 1.049565 1.338021 ESP Fit Center 1278 is at -5.704945 0.755414 1.338021 ESP Fit Center 1279 is at -6.295073 0.837195 1.143961 ESP Fit Center 1280 is at -6.006220 0.520338 1.143961 ESP Fit Center 1281 is at -5.622409 0.329223 1.143961 ESP Fit Center 1282 is at -6.552325 0.648572 0.882799 ESP Fit Center 1283 is at -6.849210 0.639936 0.564572 ESP Fit Center 1284 is at -7.243274 0.647747 -0.602126 ESP Fit Center 1285 is at -5.407447 3.508388 -1.011815 ESP Fit Center 1286 is at 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3.114376 2.527876 ESP Fit Center 1305 is at -4.007577 2.759574 2.487525 ESP Fit Center 1306 is at -3.597887 2.759574 2.487525 ESP Fit Center 1307 is at -4.204550 2.418407 2.368023 ESP Fit Center 1308 is at -3.802732 2.310741 2.368023 ESP Fit Center 1309 is at -4.505824 2.183331 2.173962 ESP Fit Center 1310 is at -3.695083 1.952655 2.173962 ESP Fit Center 1311 is at -3.591405 4.584186 1.912800 ESP Fit Center 1312 is at -3.183561 4.746995 1.594573 ESP Fit Center 1313 is at -3.592265 4.847731 1.594573 ESP Fit Center 1314 is at -3.283688 4.983804 1.231511 ESP Fit Center 1315 is at -3.697695 5.051677 1.231511 ESP Fit Center 1316 is at -2.713252 4.862285 0.837565 ESP Fit Center 1317 is at -3.087405 5.045816 0.837565 ESP Fit Center 1318 is at -3.490844 5.150274 0.837565 ESP Fit Center 1319 is at -3.907052 5.171381 0.837565 ESP Fit Center 1320 is at -2.636035 4.860462 0.427876 ESP Fit Center 1321 is at -2.999097 5.054523 0.427876 ESP Fit Center 1322 is at -3.393042 5.174025 0.427876 ESP Fit 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Center 1541 is at -5.662696 1.750777 -3.267563 ESP Fit Center 1542 is at -5.445288 1.374216 -3.267563 ESP Fit Center 1543 is at -5.010472 1.374216 -3.267563 ESP Fit Center 1544 is at -5.227880 1.750777 -3.324808 ESP Fit Center 1545 is at -4.611625 3.534446 2.695871 ESP Fit Center 1546 is at -4.176809 3.534446 2.638626 ESP Fit Center 1547 is at -4.394217 3.911008 2.638626 ESP Fit Center 1548 is at -4.829033 3.911008 2.638626 ESP Fit Center 1549 is at -5.046441 3.534446 2.638626 ESP Fit Center 1550 is at -4.829033 3.157884 2.638626 ESP Fit Center 1551 is at -4.394217 3.157884 2.638626 ESP Fit Center 1552 is at -3.884163 3.954446 2.470794 ESP Fit Center 1553 is at -4.191625 4.261907 2.470794 ESP Fit Center 1554 is at -4.611625 4.374446 2.470794 ESP Fit Center 1555 is at -5.031625 4.261907 2.470794 ESP Fit Center 1556 is at -5.339086 3.954446 2.470794 ESP Fit Center 1557 is at -5.451625 3.534446 2.470794 ESP Fit Center 1558 is at -5.339086 3.114446 2.470794 ESP Fit Center 1559 is at 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ESP Fit Center 1578 is at -5.678158 4.524045 1.855871 ESP Fit Center 1579 is at -5.922465 4.165713 1.855871 ESP Fit Center 1580 is at -6.050297 3.751291 1.855871 ESP Fit Center 1581 is at -6.050297 3.317601 1.855871 ESP Fit Center 1582 is at -5.922465 2.903179 1.855871 ESP Fit Center 1583 is at -5.678158 2.544847 1.855871 ESP Fit Center 1584 is at -5.339086 2.274446 1.855871 ESP Fit Center 1585 is at -4.191625 5.101907 1.450687 ESP Fit Center 1586 is at -4.611625 5.157201 1.450687 ESP Fit Center 1587 is at -5.031625 5.101907 1.450687 ESP Fit Center 1588 is at -5.423002 4.939793 1.450687 ESP Fit Center 1589 is at -5.759086 4.681907 1.450687 ESP Fit Center 1590 is at -6.016972 4.345824 1.450687 ESP Fit Center 1591 is at -6.179086 3.954446 1.450687 ESP Fit Center 1592 is at -6.234380 3.534446 1.450687 ESP Fit Center 1593 is at -6.179086 3.114446 1.450687 ESP Fit Center 1594 is at -6.016972 2.723068 1.450687 ESP Fit Center 1595 is at -4.092476 5.132221 1.015871 ESP Fit Center 1596 is at -4.506137 5.211131 1.015871 ESP Fit Center 1597 is at -4.926425 5.184689 1.015871 ESP Fit Center 1598 is at -5.326934 5.054555 1.015871 ESP Fit Center 1599 is at -5.682497 4.828908 1.015871 ESP Fit Center 1600 is at -5.970773 4.521925 1.015871 ESP Fit Center 1601 is at -6.173649 4.152895 1.015871 ESP Fit Center 1602 is at -6.278377 3.745006 1.015871 ESP Fit Center 1603 is at -6.278377 3.323886 1.015871 ESP Fit Center 1604 is at -4.611625 5.157201 0.581055 ESP Fit Center 1605 is at -5.031625 5.101907 0.581055 ESP Fit Center 1606 is at -5.423002 4.939793 0.581055 ESP Fit Center 1607 is at -5.759086 4.681907 0.581055 ESP Fit Center 1608 is at -6.016972 4.345824 0.581055 ESP Fit Center 1609 is at -6.179086 3.954446 0.581055 ESP Fit Center 1610 is at -6.234380 3.534446 0.581055 ESP Fit Center 1611 is at -4.935375 4.952891 0.175871 ESP Fit Center 1612 is at -5.339086 4.794446 0.175871 ESP Fit Center 1613 is at -5.678158 4.524045 0.175871 ESP Fit Center 1614 is at -5.922465 4.165713 0.175871 ESP Fit Center 1615 is at -6.050297 3.751291 0.175871 ESP Fit Center 1616 is at -5.327518 4.482442 -0.172068 ESP Fit Center 1617 is at -5.621631 4.159816 -0.172068 ESP Fit Center 1618 is at -5.779337 3.752729 -0.172068 ESP Fit Center 1619 is at -2.285259 4.524957 -0.038225 ESP Fit Center 1620 is at -2.543145 4.861041 -0.038225 ESP Fit Center 1621 is at -2.879229 5.118927 -0.038225 ESP Fit Center 1622 is at -3.270606 5.281041 -0.038225 ESP Fit Center 1623 is at -3.690606 5.336335 -0.038225 ESP Fit Center 1624 is at -4.110606 5.281041 -0.038225 ESP Fit Center 1625 is at -4.501984 5.118927 -0.038225 ESP Fit Center 1626 is at -2.063387 4.131379 -0.473041 ESP Fit Center 1627 is at -2.218411 4.522926 -0.473041 ESP Fit Center 1628 is at -2.465939 4.863619 -0.473041 ESP Fit Center 1629 is at -2.790417 5.132051 -0.473041 ESP Fit Center 1630 is at -3.171458 5.311355 -0.473041 ESP Fit Center 1631 is at -3.585118 5.390265 -0.473041 ESP Fit Center 1632 is at -4.005407 5.363822 -0.473041 ESP Fit Center 1633 is at -4.405915 5.233689 -0.473041 ESP Fit Center 1634 is at -4.761479 5.008042 -0.473041 ESP Fit Center 1635 is at -5.049755 4.701059 -0.473041 ESP Fit Center 1636 is at -2.067851 3.713580 -0.907857 ESP Fit Center 1637 is at -2.123145 4.133580 -0.907857 ESP Fit Center 1638 is at -2.285259 4.524957 -0.907857 ESP Fit Center 1639 is at -2.543145 4.861041 -0.907857 ESP Fit Center 1640 is at -2.879229 5.118927 -0.907857 ESP Fit Center 1641 is at -3.270606 5.281041 -0.907857 ESP Fit Center 1642 is at -3.690606 5.336335 -0.907857 ESP Fit Center 1643 is at -4.110606 5.281041 -0.907857 ESP Fit Center 1644 is at -4.501984 5.118927 -0.907857 ESP Fit Center 1645 is at -4.838068 4.861041 -0.907857 ESP Fit Center 1646 is at -5.095954 4.524957 -0.907857 ESP Fit Center 1647 is at -5.258068 4.133580 -0.907857 ESP Fit Center 1648 is at -5.313362 3.713580 -0.907857 ESP Fit Center 1649 is at -2.123145 3.293580 -0.907857 ESP Fit Center 1650 is at -2.235684 3.713580 -1.313041 ESP Fit Center 1651 is at -2.300322 4.142426 -1.313041 ESP Fit Center 1652 is at -2.488493 4.533167 -1.313041 ESP Fit Center 1653 is at -2.783477 4.851084 -1.313041 ESP Fit Center 1654 is at -3.159063 5.067929 -1.313041 ESP Fit Center 1655 is at -3.581880 5.164434 -1.313041 ESP Fit Center 1656 is at -4.014357 5.132024 -1.313041 ESP Fit Center 1657 is at -4.418068 4.973580 -1.313041 ESP Fit Center 1658 is at -4.757140 4.703178 -1.313041 ESP Fit Center 1659 is at -5.001446 4.344847 -1.313041 ESP Fit Center 1660 is at -5.129279 3.930425 -1.313041 ESP Fit Center 1661 is at -5.129279 3.496735 -1.313041 ESP Fit Center 1662 is at -2.488493 2.893993 -1.313041 ESP Fit Center 1663 is at -2.300322 3.284734 -1.313041 ESP Fit Center 1664 is at -2.502667 3.713580 -1.660981 ESP Fit Center 1665 is at -2.582886 4.142713 -1.660981 ESP Fit Center 1666 is at -2.812708 4.513889 -1.660981 ESP Fit Center 1667 is at -3.161096 4.776979 -1.660981 ESP Fit Center 1668 is at -3.580997 4.896452 -1.660981 ESP Fit Center 1669 is at -4.015701 4.856170 -1.660981 ESP Fit Center 1670 is at -4.406500 4.661576 -1.660981 ESP Fit Center 1671 is at -4.700613 4.338949 -1.660981 ESP Fit Center 1672 is at -4.858319 3.931863 -1.660981 ESP Fit Center 1673 is at -4.858319 3.495296 -1.660981 ESP Fit Center 1674 is at -3.161096 2.650180 -1.660981 ESP Fit Center 1675 is at -2.812708 2.913270 -1.660981 ESP Fit Center 1676 is at -2.582886 3.284447 -1.660981 ESP Fit Center 1677 is at -2.850606 3.713580 -1.927964 ESP Fit Center 1678 is at -2.963145 4.133580 -1.927964 ESP Fit Center 1679 is at -3.270606 4.441041 -1.927964 ESP Fit Center 1680 is at -3.690606 4.553580 -1.927964 ESP Fit Center 1681 is at -4.110606 4.441041 -1.927964 ESP Fit Center 1682 is at -4.418068 4.133580 -1.927964 ESP Fit Center 1683 is at -4.530606 3.713580 -1.927964 ESP Fit Center 1684 is at -4.418068 3.293580 -1.927964 ESP Fit Center 1685 is at -4.110606 2.986118 -1.927964 ESP Fit Center 1686 is at -3.690606 2.873580 -1.927964 ESP Fit Center 1687 is at -3.270606 2.986118 -1.927964 ESP Fit Center 1688 is at -2.963145 3.293580 -1.927964 ESP Fit Center 1689 is at -3.255790 3.713580 -2.095797 ESP Fit Center 1690 is at -3.473198 4.090141 -2.095797 ESP Fit Center 1691 is at -3.908014 4.090141 -2.095797 ESP Fit Center 1692 is at -4.125422 3.713580 -2.095797 ESP Fit Center 1693 is at -3.908014 3.337018 -2.095797 ESP Fit Center 1694 is at -3.473198 3.337018 -2.095797 ESP Fit Center 1695 is at -3.690606 3.713580 -2.153041 ESP Fit Center 1696 is at -2.890184 3.191389 2.683913 ESP Fit Center 1697 is at -2.455368 3.191389 2.626668 ESP Fit Center 1698 is at -2.672776 3.567950 2.626668 ESP Fit Center 1699 is at -3.107592 3.567950 2.626668 ESP Fit Center 1700 is at -3.325000 3.191389 2.626668 ESP Fit Center 1701 is at -3.107592 2.814827 2.626668 ESP Fit Center 1702 is at -2.672776 2.814827 2.626668 ESP Fit Center 1703 is at -2.050184 3.191389 2.458836 ESP Fit Center 1704 is at -2.162723 3.611389 2.458836 ESP Fit Center 1705 is at -2.470184 3.918850 2.458836 ESP Fit Center 1706 is at -2.890184 4.031389 2.458836 ESP Fit Center 1707 is at -3.310184 3.918850 2.458836 ESP Fit Center 1708 is at -3.310184 2.463927 2.458836 ESP Fit Center 1709 is at -2.890184 2.351389 2.458836 ESP Fit Center 1710 is at -2.470184 2.463927 2.458836 ESP Fit Center 1711 is at -2.162723 2.771389 2.458836 ESP Fit Center 1712 is at -1.702245 3.191389 2.191852 ESP Fit Center 1713 is at -1.782464 3.620522 2.191852 ESP Fit Center 1714 is at -2.012286 3.991698 2.191852 ESP Fit Center 1715 is at -2.360674 4.254788 2.191852 ESP Fit Center 1716 is at -2.780575 4.374261 2.191852 ESP Fit Center 1717 is at -3.215279 4.333979 2.191852 ESP Fit Center 1718 is at -3.215279 2.048798 2.191852 ESP Fit Center 1719 is at -2.780575 2.008517 2.191852 ESP Fit Center 1720 is at -2.360674 2.127989 2.191852 ESP Fit Center 1721 is at -2.012286 2.391079 2.191852 ESP Fit Center 1722 is at -1.782464 2.762255 2.191852 ESP Fit Center 1723 is at -1.435262 3.191389 1.843913 ESP Fit Center 1724 is at -1.499900 3.620235 1.843913 ESP Fit Center 1725 is at -1.688071 4.010976 1.843913 ESP Fit Center 1726 is at -1.983055 4.328893 1.843913 ESP Fit Center 1727 is at -2.358641 4.545738 1.843913 ESP Fit Center 1728 is at -2.781458 4.642243 1.843913 ESP Fit Center 1729 is at -3.213935 4.609833 1.843913 ESP Fit Center 1730 is at -1.688071 2.371802 1.843913 ESP Fit Center 1731 is at -1.499900 2.762543 1.843913 ESP Fit Center 1732 is at -1.267429 3.191389 1.438729 ESP Fit Center 1733 is at -1.322723 3.611389 1.438729 ESP Fit Center 1734 is at -1.484837 4.002766 1.438729 ESP Fit Center 1735 is at -1.742723 4.338850 1.438729 ESP Fit Center 1736 is at -2.078807 4.596736 1.438729 ESP Fit Center 1737 is at -2.470184 4.758850 1.438729 ESP Fit Center 1738 is at -2.890184 4.814144 1.438729 ESP Fit Center 1739 is at -1.322723 2.771389 1.438729 ESP Fit Center 1740 is at -1.210184 3.191389 1.003913 ESP Fit Center 1741 is at -1.262965 3.609188 1.003913 ESP Fit Center 1742 is at -1.417989 4.000735 1.003913 ESP Fit Center 1743 is at -1.665517 4.341428 1.003913 ESP Fit Center 1744 is at -1.989995 4.609860 1.003913 ESP Fit Center 1745 is at -2.371036 4.789164 1.003913 ESP Fit Center 1746 is at -2.784696 4.868074 1.003913 ESP Fit Center 1747 is at -1.262965 2.773590 1.003913 ESP Fit Center 1748 is at -1.267429 3.191389 0.569097 ESP Fit Center 1749 is at -1.322723 3.611389 0.569097 ESP Fit Center 1750 is at -1.484837 4.002766 0.569097 ESP Fit Center 1751 is at -1.742723 4.338850 0.569097 ESP Fit Center 1752 is at -2.078807 4.596736 0.569097 ESP Fit Center 1753 is at -2.470184 4.758850 0.569097 ESP Fit Center 1754 is at -1.322723 2.771389 0.569097 ESP Fit Center 1755 is at -1.435262 3.191389 0.163913 ESP Fit Center 1756 is at -1.499900 3.620235 0.163913 ESP Fit Center 1757 is at -1.688071 4.010976 0.163913 ESP Fit Center 1758 is at -1.983055 4.328893 0.163913 ESP Fit Center 1759 is at -1.499900 2.762543 0.163913 ESP Fit Center 1760 is at -1.702245 3.191389 -0.184026 ESP Fit Center 1761 is at -1.782464 3.620522 -0.184026 ESP Fit Center 1762 is at -1.782464 2.762255 -0.184026 ESP Fit Center 1763 is at 2.748326 2.481024 1.953975 ESP Fit Center 1764 is at 3.158015 2.481024 1.953975 ESP Fit Center 1765 is at 3.354988 2.139857 1.834472 ESP Fit Center 1766 is at 3.649139 2.434008 1.834472 ESP Fit Center 1767 is at 3.473212 1.791441 1.640412 ESP Fit Center 1768 is at 3.815370 2.049827 1.640412 ESP Fit Center 1769 is at 4.041084 2.414366 1.640412 ESP Fit Center 1770 is at 1.646206 3.993695 -1.272372 ESP Fit Center 1771 is at 1.407088 3.647273 -1.272372 ESP Fit Center 1772 is at 2.336311 4.186560 -1.590599 ESP Fit Center 1773 is at 1.980752 3.958057 -1.590599 ESP Fit Center 1774 is at 1.703973 3.638637 -1.590599 ESP Fit Center 1775 is at 1.528396 3.254177 -1.590599 ESP Fit Center 1776 is at 3.060820 3.997546 -1.851761 ESP Fit Center 1777 is at 2.633889 3.957985 -1.851761 ESP Fit Center 1778 is at 2.250078 3.766871 -1.851761 ESP Fit Center 1779 is at 1.961224 3.450013 -1.851761 ESP Fit Center 1780 is at 1.806338 3.050206 -1.851761 ESP Fit Center 1781 is at 2.953171 3.639461 -2.045822 ESP Fit Center 1782 is at 2.551353 3.531794 -2.045822 ESP Fit Center 1783 is at 2.257202 3.237644 -2.045822 ESP Fit Center 1784 is at 2.149535 2.835826 -2.045822 ESP Fit Center 1785 is at 2.257202 2.434008 -2.045822 ESP Fit Center 1786 is at 2.551353 2.139857 -2.045822 ESP Fit Center 1787 is at 2.748326 3.190628 -2.165324 ESP Fit Center 1788 is at 2.543481 2.835826 -2.165324 ESP Fit Center 1789 is at 2.748326 2.481024 -2.165324 ESP Fit Center 1790 is at 2.953171 2.835826 -2.205675 ESP Fit Center 1791 is at 1.070319 2.255115 2.110245 ESP Fit Center 1792 is at 1.505135 2.255115 2.053000 ESP Fit Center 1793 is at 1.287727 2.631677 2.053000 ESP Fit Center 1794 is at 0.852911 2.631677 2.053000 ESP Fit Center 1795 is at 0.635503 2.255115 2.053000 ESP Fit Center 1796 is at 0.852911 1.878554 2.053000 ESP Fit Center 1797 is at 1.287727 1.878554 2.053000 ESP Fit Center 1798 is at 1.490319 2.982577 1.885167 ESP Fit Center 1799 is at 1.070319 3.095115 1.885167 ESP Fit Center 1800 is at 0.650319 2.982577 1.885167 ESP Fit Center 1801 is at 0.342858 2.675115 1.885167 ESP Fit Center 1802 is at 0.230319 2.255115 1.885167 ESP Fit Center 1803 is at 0.342858 1.835115 1.885167 ESP Fit Center 1804 is at 0.650319 1.527654 1.885167 ESP Fit Center 1805 is at 1.070319 1.415115 1.885167 ESP Fit Center 1806 is at 0.354426 3.203112 1.618184 ESP Fit Center 1807 is at 0.060313 2.880485 1.618184 ESP Fit Center 1808 is at -0.097393 2.473399 1.618184 ESP Fit Center 1809 is at -0.097393 2.036832 1.618184 ESP Fit Center 1810 is at 0.060313 1.629746 1.618184 ESP Fit Center 1811 is at 0.354426 1.307119 1.618184 ESP Fit Center 1812 is at 0.745224 1.112525 1.618184 ESP Fit Center 1813 is at 0.342858 3.515115 1.270245 ESP Fit Center 1814 is at 0.003785 3.244714 1.270245 ESP Fit Center 1815 is at -0.240521 2.886383 1.270245 ESP Fit Center 1816 is at -0.368353 2.471960 1.270245 ESP Fit Center 1817 is at -0.368353 2.038270 1.270245 ESP Fit Center 1818 is at -0.077142 3.402577 0.865061 ESP Fit Center 1819 is at -0.335028 3.066493 0.865061 ESP Fit Center 1820 is at -0.497142 2.675115 0.865061 ESP Fit Center 1821 is at -0.552436 2.255115 0.865061 ESP Fit Center 1822 is at -0.000553 3.549578 0.430245 ESP Fit Center 1823 is at -0.288829 3.242595 0.430245 ESP Fit Center 1824 is at -0.491705 2.873565 0.430245 ESP Fit Center 1825 is at -0.596434 2.465675 0.430245 ESP Fit Center 1826 is at 0.258941 3.660463 -0.004571 ESP Fit Center 1827 is at -0.077142 3.402577 -0.004571 ESP Fit Center 1828 is at -0.335028 3.066493 -0.004571 ESP Fit Center 1829 is at -0.497142 2.675115 -0.004571 ESP Fit Center 1830 is at 0.342858 3.515115 -0.409755 ESP Fit Center 1831 is at 0.003785 3.244714 -0.409755 ESP Fit Center 1832 is at -0.240521 2.886383 -0.409755 ESP Fit Center 1833 is at -0.368353 2.471960 -0.409755 ESP Fit Center 1834 is at 0.745224 3.397706 -0.757695 ESP Fit Center 1835 is at 0.354426 3.203112 -0.757695 ESP Fit Center 1836 is at 0.060313 2.880485 -0.757695 ESP Fit Center 1837 is at -0.097393 2.473399 -0.757695 ESP Fit Center 1838 is at 0.342858 2.675115 -1.024678 ESP Fit Center 1839 is at 0.230319 2.255115 -1.024678 ESP Fit Center 1840 is at 2.099442 4.542356 2.437835 ESP Fit Center 1841 is at 1.991775 4.140538 2.437835 ESP Fit Center 1842 is at 2.099442 3.738721 2.437835 ESP Fit Center 1843 is at 2.092318 5.071583 2.243775 ESP Fit Center 1844 is at 2.092318 3.209494 2.243775 ESP Fit Center 1845 is at 2.476128 3.018379 2.243775 ESP Fit Center 1846 is at 2.584083 5.610348 1.982613 ESP Fit Center 1847 is at 2.178550 5.491273 1.982613 ESP Fit Center 1848 is at 1.822992 3.018308 1.982613 ESP Fit Center 1849 is at 2.178550 2.789804 1.982613 ESP Fit Center 1850 is at 2.584083 2.670729 1.982613 ESP Fit Center 1851 is at 3.005878 5.873894 1.664386 ESP Fit Center 1852 is at 2.584943 5.873894 1.664386 ESP Fit Center 1853 is at 2.176239 5.773157 1.664386 ESP Fit Center 1854 is at 3.314454 6.009967 1.301324 ESP Fit Center 1855 is at 2.900448 6.077840 1.301324 ESP Fit Center 1856 is at 2.481529 6.055127 1.301324 ESP Fit Center 1857 is at 2.077288 5.942890 1.301324 ESP Fit Center 1858 is at 4.214440 5.633357 0.907378 ESP Fit Center 1859 is at 3.107298 6.176436 0.907378 ESP Fit Center 1860 is at 2.691091 6.197544 0.907378 ESP Fit Center 1861 is at 2.279154 6.134438 0.907378 ESP Fit Center 1862 is at 1.888353 5.989701 0.907378 ESP Fit Center 1863 is at 4.855059 4.550228 0.497688 ESP Fit Center 1864 is at 4.735557 4.944174 0.497688 ESP Fit Center 1865 is at 1.991775 6.080685 0.497688 ESP Fit Center 1866 is at 1.488446 5.298408 -0.669009 ESP Fit Center 1867 is at 1.100062 3.722673 -0.669009 ESP Fit Center 1868 is at 1.546212 4.943349 -0.987236 ESP Fit Center 1869 is at 1.370636 4.558890 -0.987236 ESP Fit Center 1870 is at 1.310486 4.140538 -0.987236 ESP Fit Center 1871 is at 1.648578 4.354919 -1.248398 ESP Fit Center 1872 is at 1.991775 4.140538 -1.442459 ESP Fit Center 1873 is at 5.246398 3.598936 0.904137 ESP Fit Center 1874 is at 5.580944 3.634575 0.585911 ESP Fit Center 1875 is at 5.265869 3.913706 0.585911 ESP Fit Center 1876 is at 4.585867 0.440807 -0.171097 ESP Fit Center 1877 is at 6.373979 2.476705 -0.580787 ESP Fit Center 1878 is at 6.333628 2.886395 -0.580787 ESP Fit Center 1879 is at 6.333628 2.476705 -0.990477 ESP Fit Center 1880 is at 5.693009 0.983886 -0.990477 ESP Fit Center 1881 is at 5.964464 1.300093 -0.990477 ESP Fit Center 1882 is at 6.166710 1.664471 -0.990477 ESP Fit Center 1883 is at 6.291467 2.062101 -0.990477 ESP Fit Center 1884 is at 6.214126 2.476705 -1.384422 ESP Fit Center 1885 is at 6.034809 1.662059 -1.384422 ESP Fit Center 1886 is at 6.168767 2.059631 -1.384422 ESP Fit Center 1887 is at 6.020066 2.476705 -1.747484 ESP Fit Center 1888 is at 5.969328 2.058840 -1.747484 ESP Fit Center 1889 is at 5.758904 2.476705 -2.065711 ESP Fit Center 1890 is at 3.301561 3.598936 -2.065711 ESP Fit Center 1891 is at 5.698754 2.058354 -2.065711 ESP Fit Center 1892 is at 5.440677 2.476705 -2.326873 ESP Fit Center 1893 is at 3.570887 3.407750 -2.326873 ESP Fit Center 1894 is at 3.282033 3.090892 -2.326873 ESP Fit Center 1895 is at 3.127147 2.691085 -2.326873 ESP Fit Center 1896 is at 3.872162 3.172674 -2.520934 ESP Fit Center 1897 is at 3.578011 2.878523 -2.520934 ESP Fit Center 1898 is at 4.478824 2.831507 -2.640436 ESP Fit Center 1899 is at 4.069135 2.831507 -2.640436 ESP Fit Center 1900 is at 4.291113 5.732736 0.636617 ESP Fit Center 1901 is at 3.996129 6.050653 0.636617 ESP Fit Center 1902 is at 3.620542 6.267498 0.636617 ESP Fit Center 1903 is at 3.197726 6.364004 0.636617 ESP Fit Center 1904 is at 2.765248 6.331594 0.636617 ESP Fit Center 1905 is at 4.656461 5.333149 0.231433 ESP Fit Center 1906 is at 4.494347 5.724527 0.231433 ESP Fit Center 1907 is at 4.236461 6.060610 0.231433 ESP Fit Center 1908 is at 3.900377 6.318497 0.231433 ESP Fit Center 1909 is at 3.508999 6.480610 0.231433 ESP Fit Center 1910 is at 3.088999 6.535905 0.231433 ESP Fit Center 1911 is at 2.668999 6.480610 0.231433 ESP Fit Center 1912 is at 2.277621 6.318497 0.231433 ESP Fit Center 1913 is at 1.941538 6.060610 0.231433 ESP Fit Center 1914 is at 4.768999 4.913149 -0.203383 ESP Fit Center 1915 is at 4.716219 5.330948 -0.203383 ESP Fit Center 1916 is at 4.561194 5.722495 -0.203383 ESP Fit Center 1917 is at 4.313666 6.063188 -0.203383 ESP Fit Center 1918 is at 3.989188 6.331620 -0.203383 ESP Fit Center 1919 is at 3.608148 6.510924 -0.203383 ESP Fit Center 1920 is at 3.194487 6.589834 -0.203383 ESP Fit Center 1921 is at 2.774199 6.563392 -0.203383 ESP Fit Center 1922 is at 2.373690 6.433259 -0.203383 ESP Fit Center 1923 is at 2.018127 6.207611 -0.203383 ESP Fit Center 1924 is at 1.729851 5.900628 -0.203383 ESP Fit Center 1925 is at 4.656461 5.333149 -0.638199 ESP Fit Center 1926 is at 4.494347 5.724527 -0.638199 ESP Fit Center 1927 is at 4.236461 6.060610 -0.638199 ESP Fit Center 1928 is at 3.900377 6.318497 -0.638199 ESP Fit Center 1929 is at 3.508999 6.480610 -0.638199 ESP Fit Center 1930 is at 3.088999 6.535905 -0.638199 ESP Fit Center 1931 is at 2.668999 6.480610 -0.638199 ESP Fit Center 1932 is at 2.277621 6.318497 -0.638199 ESP Fit Center 1933 is at 1.941538 6.060610 -0.638199 ESP Fit Center 1934 is at 1.683652 5.724527 -0.638199 ESP Fit Center 1935 is at 4.479284 5.341995 -1.043383 ESP Fit Center 1936 is at 4.291113 5.732736 -1.043383 ESP Fit Center 1937 is at 3.996129 6.050653 -1.043383 ESP Fit Center 1938 is at 3.620542 6.267498 -1.043383 ESP Fit Center 1939 is at 3.197726 6.364004 -1.043383 ESP Fit Center 1940 is at 2.765248 6.331594 -1.043383 ESP Fit Center 1941 is at 2.361538 6.173149 -1.043383 ESP Fit Center 1942 is at 2.022465 5.902748 -1.043383 ESP Fit Center 1943 is at 1.778159 5.544416 -1.043383 ESP Fit Center 1944 is at 1.650327 5.129994 -1.043383 ESP Fit Center 1945 is at 4.196720 5.342282 -1.391322 ESP Fit Center 1946 is at 3.966897 5.713459 -1.391322 ESP Fit Center 1947 is at 3.618509 5.976549 -1.391322 ESP Fit Center 1948 is at 3.198608 6.096021 -1.391322 ESP Fit Center 1949 is at 2.763904 6.055740 -1.391322 ESP Fit Center 1950 is at 2.373106 5.861145 -1.391322 ESP Fit Center 1951 is at 2.078993 5.538519 -1.391322 ESP Fit Center 1952 is at 1.921287 5.131432 -1.391322 ESP Fit Center 1953 is at 1.921287 4.694866 -1.391322 ESP Fit Center 1954 is at 3.928999 4.913149 -1.658306 ESP Fit Center 1955 is at 3.816461 5.333149 -1.658306 ESP Fit Center 1956 is at 3.508999 5.640610 -1.658306 ESP Fit Center 1957 is at 3.088999 5.753149 -1.658306 ESP Fit Center 1958 is at 2.668999 5.640610 -1.658306 ESP Fit Center 1959 is at 2.361538 5.333149 -1.658306 ESP Fit Center 1960 is at 2.248999 4.913149 -1.658306 ESP Fit Center 1961 is at 2.361538 4.493149 -1.658306 ESP Fit Center 1962 is at 3.523815 4.913149 -1.826138 ESP Fit Center 1963 is at 3.306407 5.289711 -1.826138 ESP Fit Center 1964 is at 2.871591 5.289711 -1.826138 ESP Fit Center 1965 is at 2.654183 4.913149 -1.826138 ESP Fit Center 1966 is at 2.871591 4.536587 -1.826138 ESP Fit Center 1967 is at 3.306407 4.536587 -1.826138 ESP Fit Center 1968 is at 3.088999 4.913149 -1.883383 ESP Fit Center 1969 is at 3.402405 4.241320 3.073673 ESP Fit Center 1970 is at 3.837221 4.241320 3.016429 ESP Fit Center 1971 is at 3.619813 4.617881 3.016429 ESP Fit Center 1972 is at 3.184997 4.617881 3.016429 ESP Fit Center 1973 is at 2.967589 4.241320 3.016429 ESP Fit Center 1974 is at 3.184997 3.864758 3.016429 ESP Fit Center 1975 is at 3.619813 3.864758 3.016429 ESP Fit Center 1976 is at 4.242405 4.241320 2.848596 ESP Fit Center 1977 is at 4.129867 4.661320 2.848596 ESP Fit Center 1978 is at 3.822405 4.968781 2.848596 ESP Fit Center 1979 is at 3.402405 5.081320 2.848596 ESP Fit Center 1980 is at 2.982405 4.968781 2.848596 ESP Fit Center 1981 is at 2.674944 4.661320 2.848596 ESP Fit Center 1982 is at 2.562405 4.241320 2.848596 ESP Fit Center 1983 is at 2.674944 3.821320 2.848596 ESP Fit Center 1984 is at 2.982405 3.513858 2.848596 ESP Fit Center 1985 is at 3.402405 3.401320 2.848596 ESP Fit Center 1986 is at 3.822405 3.513858 2.848596 ESP Fit Center 1987 is at 4.129867 3.821320 2.848596 ESP Fit Center 1988 is at 4.590345 4.241320 2.581613 ESP Fit Center 1989 is at 4.510126 4.670453 2.581613 ESP Fit Center 1990 is at 4.280303 5.041629 2.581613 ESP Fit Center 1991 is at 3.931915 5.304719 2.581613 ESP Fit Center 1992 is at 3.512015 5.424191 2.581613 ESP Fit Center 1993 is at 3.077310 5.383910 2.581613 ESP Fit Center 1994 is at 2.686512 5.189316 2.581613 ESP Fit Center 1995 is at 2.392399 4.866689 2.581613 ESP Fit Center 1996 is at 2.234693 4.459603 2.581613 ESP Fit Center 1997 is at 2.234693 4.023036 2.581613 ESP Fit Center 1998 is at 2.392399 3.615950 2.581613 ESP Fit Center 1999 is at 2.686512 3.293324 2.581613 ESP Fit Center 2000 is at 3.077310 3.098729 2.581613 ESP Fit Center 2001 is at 3.512015 3.058448 2.581613 ESP Fit Center 2002 is at 3.931915 3.177920 2.581613 ESP Fit Center 2003 is at 4.280303 3.441010 2.581613 ESP Fit Center 2004 is at 4.510126 3.812186 2.581613 ESP Fit Center 2005 is at 4.857328 4.241320 2.233673 ESP Fit Center 2006 is at 4.792690 4.670166 2.233673 ESP Fit Center 2007 is at 4.604519 5.060907 2.233673 ESP Fit Center 2008 is at 4.309535 5.378824 2.233673 ESP Fit Center 2009 is at 3.933948 5.595669 2.233673 ESP Fit Center 2010 is at 3.511132 5.692174 2.233673 ESP Fit Center 2011 is at 3.078655 5.659764 2.233673 ESP Fit Center 2012 is at 2.674944 5.501320 2.233673 ESP Fit Center 2013 is at 2.335872 5.230918 2.233673 ESP Fit Center 2014 is at 3.078655 2.822875 2.233673 ESP Fit Center 2015 is at 3.511132 2.790465 2.233673 ESP Fit Center 2016 is at 3.933948 2.886970 2.233673 ESP Fit Center 2017 is at 4.309535 3.103815 2.233673 ESP Fit Center 2018 is at 4.604519 3.421733 2.233673 ESP Fit Center 2019 is at 4.792690 3.812474 2.233673 ESP Fit Center 2020 is at 5.025161 4.241320 1.828489 ESP Fit Center 2021 is at 4.969867 4.661320 1.828489 ESP Fit Center 2022 is at 4.807753 5.052697 1.828489 ESP Fit Center 2023 is at 4.549867 5.388781 1.828489 ESP Fit Center 2024 is at 4.213783 5.646667 1.828489 ESP Fit Center 2025 is at 3.822405 5.808781 1.828489 ESP Fit Center 2026 is at 3.402405 5.864075 1.828489 ESP Fit Center 2027 is at 2.982405 5.808781 1.828489 ESP Fit Center 2028 is at 3.822405 2.673858 1.828489 ESP Fit Center 2029 is at 4.213783 2.835972 1.828489 ESP Fit Center 2030 is at 4.549867 3.093858 1.828489 ESP Fit Center 2031 is at 4.807753 3.429942 1.828489 ESP Fit Center 2032 is at 4.969867 3.821320 1.828489 ESP Fit Center 2033 is at 5.082405 4.241320 1.393673 ESP Fit Center 2034 is at 5.029625 4.659119 1.393673 ESP Fit Center 2035 is at 4.874601 5.050666 1.393673 ESP Fit Center 2036 is at 4.627073 5.391359 1.393673 ESP Fit Center 2037 is at 4.302594 5.659791 1.393673 ESP Fit Center 2038 is at 3.921554 5.839095 1.393673 ESP Fit Center 2039 is at 3.507893 5.918005 1.393673 ESP Fit Center 2040 is at 4.874601 3.431973 1.393673 ESP Fit Center 2041 is at 5.029625 3.823521 1.393673 ESP Fit Center 2042 is at 5.025161 4.241320 0.958857 ESP Fit Center 2043 is at 4.969867 4.661320 0.958857 ESP Fit Center 2044 is at 4.807753 5.052697 0.958857 ESP Fit Center 2045 is at 4.549867 5.388781 0.958857 ESP Fit Center 2046 is at 4.213783 5.646667 0.958857 ESP Fit Center 2047 is at 4.969867 3.821320 0.958857 ESP Fit Center 2048 is at 1.760187 4.301688 2.446049 ESP Fit Center 2049 is at 1.977595 4.678250 2.388805 ESP Fit Center 2050 is at 1.542779 4.678250 2.388805 ESP Fit Center 2051 is at 1.325371 4.301688 2.388805 ESP Fit Center 2052 is at 1.542779 3.925126 2.388805 ESP Fit Center 2053 is at 1.760187 5.141688 2.220972 ESP Fit Center 2054 is at 1.340187 5.029149 2.220972 ESP Fit Center 2055 is at 1.032726 4.721688 2.220972 ESP Fit Center 2056 is at 0.920187 4.301688 2.220972 ESP Fit Center 2057 is at 1.032726 3.881688 2.220972 ESP Fit Center 2058 is at 1.340187 3.574227 2.220972 ESP Fit Center 2059 is at 1.760187 3.461688 2.220972 ESP Fit Center 2060 is at 1.869796 5.484560 1.953989 ESP Fit Center 2061 is at 1.435092 5.444279 1.953989 ESP Fit Center 2062 is at 1.044294 5.249684 1.953989 ESP Fit Center 2063 is at 0.750181 4.927057 1.953989 ESP Fit Center 2064 is at 0.592475 4.519971 1.953989 ESP Fit Center 2065 is at 0.592475 4.083405 1.953989 ESP Fit Center 2066 is at 0.750181 3.676318 1.953989 ESP Fit Center 2067 is at 1.044294 3.353692 1.953989 ESP Fit Center 2068 is at 1.435092 3.159097 1.953989 ESP Fit Center 2069 is at 1.868914 5.752542 1.606049 ESP Fit Center 2070 is at 1.436437 5.720133 1.606049 ESP Fit Center 2071 is at 1.032726 5.561688 1.606049 ESP Fit Center 2072 is at 0.693653 5.291287 1.606049 ESP Fit Center 2073 is at 0.449347 4.932955 1.606049 ESP Fit Center 2074 is at 0.321515 4.518533 1.606049 ESP Fit Center 2075 is at 0.321515 4.084843 1.606049 ESP Fit Center 2076 is at 0.449347 3.670421 1.606049 ESP Fit Center 2077 is at 1.760187 5.924443 1.200865 ESP Fit Center 2078 is at 1.340187 5.869149 1.200865 ESP Fit Center 2079 is at 0.948810 5.707035 1.200865 ESP Fit Center 2080 is at 0.612726 5.449149 1.200865 ESP Fit Center 2081 is at 0.354840 5.113066 1.200865 ESP Fit Center 2082 is at 0.192726 4.721688 1.200865 ESP Fit Center 2083 is at 0.137432 4.301688 1.200865 ESP Fit Center 2084 is at 0.192726 3.881688 1.200865 ESP Fit Center 2085 is at 1.445387 5.951931 0.766049 ESP Fit Center 2086 is at 1.044878 5.821797 0.766049 ESP Fit Center 2087 is at 0.689315 5.596150 0.766049 ESP Fit Center 2088 is at 0.401039 5.289167 0.766049 ESP Fit Center 2089 is at 0.198163 4.920137 0.766049 ESP Fit Center 2090 is at 0.093435 4.512248 0.766049 ESP Fit Center 2091 is at 0.093435 4.091128 0.766049 ESP Fit Center 2092 is at 0.198163 3.683239 0.766049 ESP Fit Center 2093 is at 1.340187 5.869149 0.331233 ESP Fit Center 2094 is at 0.948810 5.707035 0.331233 ESP Fit Center 2095 is at 0.612726 5.449149 0.331233 ESP Fit Center 2096 is at 0.354840 5.113066 0.331233 ESP Fit Center 2097 is at 0.192726 4.721688 0.331233 ESP Fit Center 2098 is at 0.137432 4.301688 0.331233 ESP Fit Center 2099 is at 0.192726 3.881688 0.331233 ESP Fit Center 2100 is at 1.436437 5.720133 -0.073951 ESP Fit Center 2101 is at 1.032726 5.561688 -0.073951 ESP Fit Center 2102 is at 0.693653 5.291287 -0.073951 ESP Fit Center 2103 is at 0.449347 4.932955 -0.073951 ESP Fit Center 2104 is at 0.321515 4.518533 -0.073951 ESP Fit Center 2105 is at 0.321515 4.084843 -0.073951 ESP Fit Center 2106 is at 1.044294 5.249684 -0.421890 ESP Fit Center 2107 is at 0.750181 4.927057 -0.421890 ESP Fit Center 2108 is at 0.592475 4.519971 -0.421890 ESP Fit Center 2109 is at 0.592475 4.083405 -0.421890 ESP Fit Center 2110 is at 0.750181 3.676318 -0.421890 ESP Fit Center 2111 is at 1.032726 4.721688 -0.688873 ESP Fit Center 2112 is at 0.920187 4.301688 -0.688873 ESP Fit Center 2113 is at 1.032726 3.881688 -0.688873 ESP Fit Center 2114 is at 5.165309 4.083102 0.452678 ESP Fit Center 2115 is at 5.853029 3.784774 0.185695 ESP Fit Center 2116 is at 5.623206 4.155951 0.185695 ESP Fit Center 2117 is at 5.274819 4.419041 0.185695 ESP Fit Center 2118 is at 4.854918 4.538513 0.185695 ESP Fit Center 2119 is at 6.200231 3.355641 -0.162244 ESP Fit Center 2120 is at 6.135593 3.784487 -0.162244 ESP Fit Center 2121 is at 5.947422 4.175228 -0.162244 ESP Fit Center 2122 is at 5.652438 4.493145 -0.162244 ESP Fit Center 2123 is at 5.276852 4.709990 -0.162244 ESP Fit Center 2124 is at 4.854035 4.806495 -0.162244 ESP Fit Center 2125 is at 6.368064 3.355641 -0.567428 ESP Fit Center 2126 is at 6.312770 3.775641 -0.567428 ESP Fit Center 2127 is at 6.150656 4.167019 -0.567428 ESP Fit Center 2128 is at 5.892770 4.503102 -0.567428 ESP Fit Center 2129 is at 5.556686 4.760988 -0.567428 ESP Fit Center 2130 is at 5.165309 4.923102 -0.567428 ESP Fit Center 2131 is at 4.745309 4.978396 -0.567428 ESP Fit Center 2132 is at 6.425309 3.355641 -1.002244 ESP Fit Center 2133 is at 6.372528 3.773440 -1.002244 ESP Fit Center 2134 is at 6.217504 4.164987 -1.002244 ESP Fit Center 2135 is at 5.969976 4.505680 -1.002244 ESP Fit Center 2136 is at 5.645498 4.774112 -1.002244 ESP Fit Center 2137 is at 5.264457 4.953416 -1.002244 ESP Fit Center 2138 is at 4.850797 5.032326 -1.002244 ESP Fit Center 2139 is at 6.372528 2.937842 -1.002244 ESP Fit Center 2140 is at 6.368064 3.355641 -1.437060 ESP Fit Center 2141 is at 6.312770 3.775641 -1.437060 ESP Fit Center 2142 is at 6.150656 4.167019 -1.437060 ESP Fit Center 2143 is at 5.892770 4.503102 -1.437060 ESP Fit Center 2144 is at 5.556686 4.760988 -1.437060 ESP Fit Center 2145 is at 5.165309 4.923102 -1.437060 ESP Fit Center 2146 is at 4.745309 4.978396 -1.437060 ESP Fit Center 2147 is at 4.325309 4.923102 -1.437060 ESP Fit Center 2148 is at 6.312770 2.935641 -1.437060 ESP Fit Center 2149 is at 6.200231 3.355641 -1.842244 ESP Fit Center 2150 is at 6.135593 3.784487 -1.842244 ESP Fit Center 2151 is at 5.947422 4.175228 -1.842244 ESP Fit Center 2152 is at 5.652438 4.493145 -1.842244 ESP Fit Center 2153 is at 5.276852 4.709990 -1.842244 ESP Fit Center 2154 is at 4.854035 4.806495 -1.842244 ESP Fit Center 2155 is at 4.421558 4.774086 -1.842244 ESP Fit Center 2156 is at 4.017847 4.615641 -1.842244 ESP Fit Center 2157 is at 3.678775 4.345240 -1.842244 ESP Fit Center 2158 is at 3.434469 3.986908 -1.842244 ESP Fit Center 2159 is at 6.135593 2.926795 -1.842244 ESP Fit Center 2160 is at 5.933248 3.355641 -2.190184 ESP Fit Center 2161 is at 5.853029 3.784774 -2.190184 ESP Fit Center 2162 is at 5.623206 4.155951 -2.190184 ESP Fit Center 2163 is at 5.274819 4.419041 -2.190184 ESP Fit Center 2164 is at 4.854918 4.538513 -2.190184 ESP Fit Center 2165 is at 4.420214 4.498232 -2.190184 ESP Fit Center 2166 is at 4.029415 4.303637 -2.190184 ESP Fit Center 2167 is at 3.735302 3.981011 -2.190184 ESP Fit Center 2168 is at 5.623206 2.555331 -2.190184 ESP Fit Center 2169 is at 5.853029 2.926508 -2.190184 ESP Fit Center 2170 is at 5.585309 3.355641 -2.457167 ESP Fit Center 2171 is at 5.472770 3.775641 -2.457167 ESP Fit Center 2172 is at 5.165309 4.083102 -2.457167 ESP Fit Center 2173 is at 4.745309 4.195641 -2.457167 ESP Fit Center 2174 is at 4.325309 4.083102 -2.457167 ESP Fit Center 2175 is at 4.017847 3.775641 -2.457167 ESP Fit Center 2176 is at 3.905309 3.355641 -2.457167 ESP Fit Center 2177 is at 5.472770 2.935641 -2.457167 ESP Fit Center 2178 is at 5.180125 3.355641 -2.625000 ESP Fit Center 2179 is at 4.962717 3.732203 -2.625000 ESP Fit Center 2180 is at 4.527901 3.732203 -2.625000 ESP Fit Center 2181 is at 4.310493 3.355641 -2.625000 ESP Fit Center 2182 is at 4.527901 2.979079 -2.625000 ESP Fit Center 2183 is at 4.962717 2.979079 -2.625000 ESP Fit Center 2184 is at 4.745309 3.355641 -2.682244 ESP Fit Center 2185 is at 4.722973 0.363419 -0.502229 ESP Fit Center 2186 is at 5.002808 0.312421 -0.907413 ESP Fit Center 2187 is at 5.338892 0.570307 -0.907413 ESP Fit Center 2188 is at 5.091620 0.299297 -1.342229 ESP Fit Center 2189 is at 5.416098 0.567729 -1.342229 ESP Fit Center 2190 is at 5.663626 0.908422 -1.342229 ESP Fit Center 2191 is at 5.002808 0.312421 -1.777045 ESP Fit Center 2192 is at 5.338892 0.570307 -1.777045 ESP Fit Center 2193 is at 5.596778 0.906390 -1.777045 ESP Fit Center 2194 is at 5.758892 1.297768 -1.777045 ESP Fit Center 2195 is at 5.646353 1.717768 -2.182229 ESP Fit Center 2196 is at 2.880590 2.349035 -2.182229 ESP Fit Center 2197 is at 2.752758 1.934613 -2.182229 ESP Fit Center 2198 is at 2.752758 1.500923 -2.182229 ESP Fit Center 2199 is at 3.124897 0.728169 -2.182229 ESP Fit Center 2200 is at 3.463969 0.457768 -2.182229 ESP Fit Center 2201 is at 3.867680 0.299323 -2.182229 ESP Fit Center 2202 is at 4.300157 0.266914 -2.182229 ESP Fit Center 2203 is at 4.722973 0.363419 -2.182229 ESP Fit Center 2204 is at 5.098560 0.580264 -2.182229 ESP Fit Center 2205 is at 5.393544 0.898181 -2.182229 ESP Fit Center 2206 is at 5.581715 1.288922 -2.182229 ESP Fit Center 2207 is at 5.379370 1.717768 -2.530168 ESP Fit Center 2208 is at 5.299151 2.146901 -2.530168 ESP Fit Center 2209 is at 5.069328 2.518078 -2.530168 ESP Fit Center 2210 is at 3.475537 2.665764 -2.530168 ESP Fit Center 2211 is at 3.181424 2.343138 -2.530168 ESP Fit Center 2212 is at 3.023718 1.936051 -2.530168 ESP Fit Center 2213 is at 3.023718 1.499485 -2.530168 ESP Fit Center 2214 is at 3.181424 1.092399 -2.530168 ESP Fit Center 2215 is at 3.475537 0.769772 -2.530168 ESP Fit Center 2216 is at 3.866335 0.575177 -2.530168 ESP Fit Center 2217 is at 4.301040 0.534896 -2.530168 ESP Fit Center 2218 is at 4.720941 0.654368 -2.530168 ESP Fit Center 2219 is at 5.069328 0.917458 -2.530168 ESP Fit Center 2220 is at 5.299151 1.288635 -2.530168 ESP Fit Center 2221 is at 5.031431 1.717768 -2.797152 ESP Fit Center 2222 is at 4.918892 2.137768 -2.797152 ESP Fit Center 2223 is at 4.611431 2.445229 -2.797152 ESP Fit Center 2224 is at 4.191431 2.557768 -2.797152 ESP Fit Center 2225 is at 3.771431 2.445229 -2.797152 ESP Fit Center 2226 is at 3.463969 2.137768 -2.797152 ESP Fit Center 2227 is at 3.351431 1.717768 -2.797152 ESP Fit Center 2228 is at 3.463969 1.297768 -2.797152 ESP Fit Center 2229 is at 3.771431 0.990307 -2.797152 ESP Fit Center 2230 is at 4.191431 0.877768 -2.797152 ESP Fit Center 2231 is at 4.611431 0.990307 -2.797152 ESP Fit Center 2232 is at 4.918892 1.297768 -2.797152 ESP Fit Center 2233 is at 4.626247 1.717768 -2.964984 ESP Fit Center 2234 is at 4.408839 2.094330 -2.964984 ESP Fit Center 2235 is at 3.974023 2.094330 -2.964984 ESP Fit Center 2236 is at 3.756615 1.717768 -2.964984 ESP Fit Center 2237 is at 3.974023 1.341206 -2.964984 ESP Fit Center 2238 is at 4.408839 1.341206 -2.964984 ESP Fit Center 2239 is at 4.191431 1.717768 -3.022229 ESP Fit Center 2240 is at 4.895885 2.095835 1.904313 ESP Fit Center 2241 is at 5.330701 2.095835 1.847068 ESP Fit Center 2242 is at 5.113293 2.472397 1.847068 ESP Fit Center 2243 is at 4.678477 2.472397 1.847068 ESP Fit Center 2244 is at 4.461069 2.095835 1.847068 ESP Fit Center 2245 is at 4.678477 1.719274 1.847068 ESP Fit Center 2246 is at 5.113293 1.719274 1.847068 ESP Fit Center 2247 is at 5.735885 2.095835 1.679236 ESP Fit Center 2248 is at 5.623346 2.515835 1.679236 ESP Fit Center 2249 is at 5.315885 2.823297 1.679236 ESP Fit Center 2250 is at 4.895885 2.935835 1.679236 ESP Fit Center 2251 is at 4.475885 2.823297 1.679236 ESP Fit Center 2252 is at 4.168424 2.515835 1.679236 ESP Fit Center 2253 is at 4.055885 2.095835 1.679236 ESP Fit Center 2254 is at 4.168424 1.675835 1.679236 ESP Fit Center 2255 is at 4.475885 1.368374 1.679236 ESP Fit Center 2256 is at 4.895885 1.255835 1.679236 ESP Fit Center 2257 is at 5.315885 1.368374 1.679236 ESP Fit Center 2258 is at 5.623346 1.675835 1.679236 ESP Fit Center 2259 is at 6.083824 2.095835 1.412252 ESP Fit Center 2260 is at 6.003606 2.524969 1.412252 ESP Fit Center 2261 is at 5.773783 2.896145 1.412252 ESP Fit Center 2262 is at 5.425395 3.159235 1.412252 ESP Fit Center 2263 is at 5.005494 3.278707 1.412252 ESP Fit Center 2264 is at 3.885879 1.470466 1.412252 ESP Fit Center 2265 is at 4.179992 1.147839 1.412252 ESP Fit Center 2266 is at 4.570790 0.953245 1.412252 ESP Fit Center 2267 is at 5.005494 0.912964 1.412252 ESP Fit Center 2268 is at 5.425395 1.032436 1.412252 ESP Fit Center 2269 is at 5.773783 1.295526 1.412252 ESP Fit Center 2270 is at 6.003606 1.666702 1.412252 ESP Fit Center 2271 is at 6.350808 2.095835 1.064313 ESP Fit Center 2272 is at 6.286170 2.524681 1.064313 ESP Fit Center 2273 is at 6.097999 2.915423 1.064313 ESP Fit Center 2274 is at 5.803015 3.233340 1.064313 ESP Fit Center 2275 is at 5.427428 3.450185 1.064313 ESP Fit Center 2276 is at 3.829351 1.106237 1.064313 ESP Fit Center 2277 is at 4.168424 0.835835 1.064313 ESP Fit Center 2278 is at 4.572134 0.677391 1.064313 ESP Fit Center 2279 is at 5.004612 0.644981 1.064313 ESP Fit Center 2280 is at 5.427428 0.741486 1.064313 ESP Fit Center 2281 is at 5.803015 0.958331 1.064313 ESP Fit Center 2282 is at 6.097999 1.276248 1.064313 ESP Fit Center 2283 is at 6.286170 1.666989 1.064313 ESP Fit Center 2284 is at 6.518640 2.095835 0.659129 ESP Fit Center 2285 is at 6.463346 2.515835 0.659129 ESP Fit Center 2286 is at 6.301232 2.907213 0.659129 ESP Fit Center 2287 is at 6.043346 3.243297 0.659129 ESP Fit Center 2288 is at 5.707263 3.501183 0.659129 ESP Fit Center 2289 is at 4.084507 0.690488 0.659129 ESP Fit Center 2290 is at 4.475885 0.528374 0.659129 ESP Fit Center 2291 is at 4.895885 0.473080 0.659129 ESP Fit Center 2292 is at 5.315885 0.528374 0.659129 ESP Fit Center 2293 is at 5.707263 0.690488 0.659129 ESP Fit Center 2294 is at 6.043346 0.948374 0.659129 ESP Fit Center 2295 is at 6.301232 1.284458 0.659129 ESP Fit Center 2296 is at 6.463346 1.675835 0.659129 ESP Fit Center 2297 is at 6.575885 2.095835 0.224313 ESP Fit Center 2298 is at 6.523105 2.513634 0.224313 ESP Fit Center 2299 is at 6.368080 2.905182 0.224313 ESP Fit Center 2300 is at 6.120552 3.245875 0.224313 ESP Fit Center 2301 is at 4.581084 0.445593 0.224313 ESP Fit Center 2302 is at 5.001373 0.419151 0.224313 ESP Fit Center 2303 is at 5.415034 0.498061 0.224313 ESP Fit Center 2304 is at 5.796074 0.677365 0.224313 ESP Fit Center 2305 is at 6.120552 0.945796 0.224313 ESP Fit Center 2306 is at 6.368080 1.286489 0.224313 ESP Fit Center 2307 is at 6.523105 1.678036 0.224313 ESP Fit Center 2308 is at 6.518640 2.095835 -0.210503 ESP Fit Center 2309 is at 6.463346 2.515835 -0.210503 ESP Fit Center 2310 is at 6.301232 2.907213 -0.210503 ESP Fit Center 2311 is at 4.895885 0.473080 -0.210503 ESP Fit Center 2312 is at 5.315885 0.528374 -0.210503 ESP Fit Center 2313 is at 5.707263 0.690488 -0.210503 ESP Fit Center 2314 is at 6.043346 0.948374 -0.210503 ESP Fit Center 2315 is at 6.301232 1.284458 -0.210503 ESP Fit Center 2316 is at 6.463346 1.675835 -0.210503 ESP Fit Center 2317 is at 6.350808 2.095835 -0.615687 ESP Fit Center 2318 is at 5.803015 0.958331 -0.615687 ESP Fit Center 2319 is at 6.097999 1.276248 -0.615687 ESP Fit Center 2320 is at 6.286170 1.666989 -0.615687 ESP Fit Center 2321 is at 1.291226 -3.240725 1.985805 ESP Fit Center 2322 is at 3.961551 -4.115041 0.564054 ESP Fit Center 2323 is at 5.112131 -1.309760 0.534908 ESP Fit Center 2324 is at 5.379200 -1.315227 0.192218 ESP Fit Center 2325 is at 5.562895 -1.296684 -0.186934 ESP Fit Center 2326 is at 5.682009 -1.304392 -0.591026 ESP Fit Center 2327 is at 3.052426 -4.498419 -1.007782 ESP Fit Center 2328 is at 3.469182 -4.534880 -1.007782 ESP Fit Center 2329 is at 2.540252 -4.308220 -1.424538 ESP Fit Center 2330 is at 2.943245 -4.439160 -1.424538 ESP Fit Center 2331 is at 3.363142 -4.496039 -1.424538 ESP Fit Center 2332 is at 5.683688 -1.708069 -1.828630 ESP Fit Center 2333 is at 3.148224 -4.367187 -1.828630 ESP Fit Center 2334 is at 3.576491 -4.387588 -1.828630 ESP Fit Center 2335 is at 5.547643 -2.134880 -2.207782 ESP Fit Center 2336 is at 5.505096 -1.716489 -2.207782 ESP Fit Center 2337 is at 5.379200 -1.315227 -2.207782 ESP Fit Center 2338 is at 3.783918 -4.189373 -2.207782 ESP Fit Center 2339 is at 5.307688 -2.134880 -2.550472 ESP Fit Center 2340 is at 5.258131 -1.710891 -2.550472 ESP Fit Center 2341 is at 5.112131 -1.309760 -2.550472 ESP Fit Center 2342 is at 2.549928 -0.542687 -2.550472 ESP Fit Center 2343 is at 2.207522 -0.797599 -2.550472 ESP Fit Center 2344 is at 4.197377 -3.823027 -2.550472 ESP Fit Center 2345 is at 5.258131 -2.558869 -2.550472 ESP Fit Center 2346 is at 5.011872 -2.134880 -2.846289 ESP Fit Center 2347 is at 4.954665 -1.718667 -2.846289 ESP Fit Center 2348 is at 4.787286 -1.333323 -2.846289 ESP Fit Center 2349 is at 2.952566 -0.681263 -2.846289 ESP Fit Center 2350 is at 4.522150 -3.262334 -2.846289 ESP Fit Center 2351 is at 4.787286 -2.936437 -2.846289 ESP Fit Center 2352 is at 4.954665 -2.551093 -2.846289 ESP Fit Center 2353 is at 4.669182 -2.134880 -3.086243 ESP Fit Center 2354 is at 4.596813 -1.724456 -3.086243 ESP Fit Center 2355 is at 4.388435 -1.363535 -3.086243 ESP Fit Center 2356 is at 4.069182 -1.095650 -3.086243 ESP Fit Center 2357 is at 3.677559 -0.953111 -3.086243 ESP Fit Center 2358 is at 4.596813 -2.545304 -3.086243 ESP Fit Center 2359 is at 3.046709 -1.861784 3.605577 ESP Fit Center 2360 is at 3.458308 -1.861784 3.567437 ESP Fit Center 2361 is at 3.252509 -1.505329 3.567437 ESP Fit Center 2362 is at 2.840910 -1.505329 3.567437 ESP Fit Center 2363 is at 2.635110 -1.861784 3.567437 ESP Fit Center 2364 is at 2.840910 -2.218239 3.567437 ESP Fit Center 2365 is at 3.252509 -2.218239 3.567437 ESP Fit Center 2366 is at 3.855890 -1.861784 3.454315 ESP Fit Center 2367 is at 3.747481 -1.457193 3.454315 ESP Fit Center 2368 is at 3.451300 -1.161012 3.454315 ESP Fit Center 2369 is at 3.046709 -1.052603 3.454315 ESP Fit Center 2370 is at 2.642118 -1.161012 3.454315 ESP Fit Center 2371 is at 2.345937 -1.457193 3.454315 ESP Fit Center 2372 is at 2.237528 -1.861784 3.454315 ESP Fit Center 2373 is at 2.345937 -2.266375 3.454315 ESP Fit Center 2374 is at 2.642118 -2.562556 3.454315 ESP Fit Center 2375 is at 3.046709 -2.670965 3.454315 ESP Fit Center 2376 is at 3.451300 -2.562556 3.454315 ESP Fit Center 2377 is at 4.146288 -1.435805 3.270064 ESP Fit Center 2378 is at 3.918154 -1.067357 3.270064 ESP Fit Center 2379 is at 3.572327 -0.806200 3.270064 ESP Fit Center 2380 is at 3.155513 -0.687606 3.270064 ESP Fit Center 2381 is at 2.724003 -0.727591 3.270064 ESP Fit Center 2382 is at 2.336077 -0.920756 3.270064 ESP Fit Center 2383 is at 2.044126 -1.241011 3.270064 ESP Fit Center 2384 is at 1.887579 -1.645105 3.270064 ESP Fit Center 2385 is at 1.887579 -2.078463 3.270064 ESP Fit Center 2386 is at 2.044126 -2.482557 3.270064 ESP Fit Center 2387 is at 2.336077 -2.802812 3.270064 ESP Fit Center 2388 is at 2.724003 -2.995976 3.270064 ESP Fit Center 2389 is at 3.155513 -3.035962 3.270064 ESP Fit Center 2390 is at 4.316226 -1.045915 3.020957 ESP Fit Center 2391 is at 4.034945 -0.721299 3.020957 ESP Fit Center 2392 is at 3.673603 -0.489078 3.020957 ESP Fit Center 2393 is at 3.261473 -0.368066 3.020957 ESP Fit Center 2394 is at 2.831945 -0.368066 3.020957 ESP Fit Center 2395 is at 2.419815 -0.489078 3.020957 ESP Fit Center 2396 is at 2.058473 -0.721299 3.020957 ESP Fit Center 2397 is at 1.777192 -1.045915 3.020957 ESP Fit Center 2398 is at 1.598759 -1.436627 3.020957 ESP Fit Center 2399 is at 1.537631 -1.861784 3.020957 ESP Fit Center 2400 is at 1.598759 -2.286940 3.020957 ESP Fit Center 2401 is at 1.777192 -2.677653 3.020957 ESP Fit Center 2402 is at 2.058473 -3.002269 3.020957 ESP Fit Center 2403 is at 2.419815 -3.234490 3.020957 ESP Fit Center 2404 is at 2.831945 -3.355502 3.020957 ESP Fit Center 2405 is at 4.644130 -1.059529 2.715479 ESP Fit Center 2406 is at 4.416058 -0.712763 2.715479 ESP Fit Center 2407 is at 4.114165 -0.427942 2.715479 ESP Fit Center 2408 is at 3.754725 -0.220419 2.715479 ESP Fit Center 2409 is at 3.357115 -0.101382 2.715479 ESP Fit Center 2410 is at 2.942772 -0.077250 2.715479 ESP Fit Center 2411 is at 2.534031 -0.149322 2.715479 ESP Fit Center 2412 is at 2.152930 -0.313713 2.715479 ESP Fit Center 2413 is at 1.820012 -0.561561 2.715479 ESP Fit Center 2414 is at 1.553226 -0.879504 2.715479 ESP Fit Center 2415 is at 1.366953 -1.250403 2.715479 ESP Fit Center 2416 is at 1.271237 -1.654261 2.715479 ESP Fit Center 2417 is at 1.271237 -2.069307 2.715479 ESP Fit Center 2418 is at 1.366953 -2.473165 2.715479 ESP Fit Center 2419 is at 1.553226 -2.844063 2.715479 ESP Fit Center 2420 is at 1.820012 -3.162007 2.715479 ESP Fit Center 2421 is at 2.152930 -3.409855 2.715479 ESP Fit Center 2422 is at 2.534031 -3.574246 2.715479 ESP Fit Center 2423 is at 4.668922 -0.683177 2.364031 ESP Fit Center 2424 is at 4.388427 -0.371655 2.364031 ESP Fit Center 2425 is at 4.049292 -0.125259 2.364031 ESP Fit Center 2426 is at 3.666339 0.045242 2.364031 ESP Fit Center 2427 is at 3.256306 0.132397 2.364031 ESP Fit Center 2428 is at 2.837112 0.132397 2.364031 ESP Fit Center 2429 is at 2.427079 0.045242 2.364031 ESP Fit Center 2430 is at 2.044126 -0.125259 2.364031 ESP Fit Center 2431 is at 1.704991 -0.371655 2.364031 ESP Fit Center 2432 is at 1.424496 -0.683177 2.364031 ESP Fit Center 2433 is at 1.214899 -1.046210 2.364031 ESP Fit Center 2434 is at 1.085361 -1.444887 2.364031 ESP Fit Center 2435 is at 1.041543 -1.861784 2.364031 ESP Fit Center 2436 is at 1.085361 -2.278681 2.364031 ESP Fit Center 2437 is at 1.214899 -2.677358 2.364031 ESP Fit Center 2438 is at 1.424496 -3.040391 2.364031 ESP Fit Center 2439 is at 1.704991 -3.351913 2.364031 ESP Fit Center 2440 is at 2.044126 -3.598308 2.364031 ESP Fit Center 2441 is at 2.427079 -3.768810 2.364031 ESP Fit Center 2442 is at 2.837112 -3.855965 2.364031 ESP Fit Center 2443 is at 4.838102 -0.664814 1.978582 ESP Fit Center 2444 is at 4.570163 -0.338330 1.978582 ESP Fit Center 2445 is at 4.243679 -0.070391 1.978582 ESP Fit Center 2446 is at 3.871196 0.128705 1.978582 ESP Fit Center 2447 is at 3.467029 0.251308 1.978582 ESP Fit Center 2448 is at 3.046709 0.292706 1.978582 ESP Fit Center 2449 is at 2.626389 -3.974875 1.978582 ESP Fit Center 2450 is at 4.923078 -0.655915 1.572258 ESP Fit Center 2451 is at 4.660958 -0.322601 1.572258 ESP Fit Center 2452 is at 4.340494 -0.044917 1.572258 ESP Fit Center 2453 is at 3.973269 0.167100 1.572258 ESP Fit Center 2454 is at 5.117382 -1.032811 1.158896 ESP Fit Center 2455 is at 4.923078 -0.655915 1.158896 ESP Fit Center 2456 is at 4.660958 -0.322601 1.158896 ESP Fit Center 2457 is at 4.340494 -0.044917 1.158896 ESP Fit Center 2458 is at 5.037198 -1.037297 0.752572 ESP Fit Center 2459 is at 4.838102 -0.664814 0.752572 ESP Fit Center 2460 is at 4.570163 -0.338330 0.752572 ESP Fit Center 2461 is at 4.243679 -0.070391 0.752572 ESP Fit Center 2462 is at -3.467079 -0.750367 2.163440 ESP Fit Center 2463 is at -3.050323 -0.750367 2.163440 ESP Fit Center 2464 is at -3.969576 -0.799870 2.055164 ESP Fit Center 2465 is at -3.669125 -1.100322 2.055164 ESP Fit Center 2466 is at -4.458701 -0.389446 1.878362 ESP Fit Center 2467 is at -4.386332 -0.799870 1.878362 ESP Fit Center 2468 is at -4.177954 -1.160791 1.878362 ESP Fit Center 2469 is at -3.858701 -1.428677 1.878362 ESP Fit Center 2470 is at -4.787022 -0.599509 1.638408 ESP Fit Center 2471 is at -4.673674 -1.004056 1.638408 ESP Fit Center 2472 is at -4.455383 -1.363019 1.638408 ESP Fit Center 2473 is at -4.148340 -1.649778 1.638408 ESP Fit Center 2474 is at -5.084776 -0.176008 1.342592 ESP Fit Center 2475 is at -5.084776 -0.602884 1.342592 ESP Fit Center 2476 is at -4.986332 -1.018252 1.342592 ESP Fit Center 2477 is at -4.794751 -1.399722 1.342592 ESP Fit Center 2478 is at -4.520361 -1.726727 1.342592 ESP Fit Center 2479 is at -5.241842 -1.011661 0.999901 ESP Fit Center 2480 is at -5.075996 -1.398127 0.999901 ESP Fit Center 2481 is at -4.835750 -1.743298 0.999901 ESP Fit Center 2482 is at -5.263258 -1.422867 0.620750 ESP Fit Center 2483 is at -5.031457 -1.783557 0.620750 ESP Fit Center 2484 is at -5.388176 -1.414947 0.216657 ESP Fit Center 2485 is at -5.170844 -1.778699 0.216657 ESP Fit Center 2486 is at -5.337162 -1.589446 -0.200099 ESP Fit Center 2487 is at -5.097208 -1.932136 -0.200099 ESP Fit Center 2488 is at -5.170844 -1.778699 -0.616854 ESP Fit Center 2489 is at -4.892054 -2.097800 -0.616854 ESP Fit Center 2490 is at -5.031457 -1.783557 -1.020947 ESP Fit Center 2491 is at -4.735584 -2.093860 -1.020947 ESP Fit Center 2492 is at -5.075996 -1.398127 -1.400099 ESP Fit Center 2493 is at -4.835750 -1.743298 -1.400099 ESP Fit Center 2494 is at -4.530939 -2.033043 -1.400099 ESP Fit Center 2495 is at -4.794751 -1.399722 -1.742789 ESP Fit Center 2496 is at -4.520361 -1.726727 -1.742789 ESP Fit Center 2497 is at -4.177954 -1.981640 -1.742789 ESP Fit Center 2498 is at -1.940596 0.412111 -2.038605 ESP Fit Center 2499 is at -2.205733 0.738007 -2.038605 ESP Fit Center 2500 is at -4.787022 -0.599509 -2.038605 ESP Fit Center 2501 is at -4.673674 -1.004056 -2.038605 ESP Fit Center 2502 is at -4.455383 -1.363019 -2.038605 ESP Fit Center 2503 is at -4.148340 -1.649778 -2.038605 ESP Fit Center 2504 is at -3.775316 -1.843063 -2.038605 ESP Fit Center 2505 is at -2.058701 -0.389446 -2.278560 ESP Fit Center 2506 is at -2.131070 0.020978 -2.278560 ESP Fit Center 2507 is at -2.339448 0.381899 -2.278560 ESP Fit Center 2508 is at -2.658701 0.649784 -2.278560 ESP Fit Center 2509 is at -3.050323 0.792323 -2.278560 ESP Fit Center 2510 is at -3.467079 0.792323 -2.278560 ESP Fit Center 2511 is at -4.458701 -0.389446 -2.278560 ESP Fit Center 2512 is at -4.386332 -0.799870 -2.278560 ESP Fit Center 2513 is at -4.177954 -1.160791 -2.278560 ESP Fit Center 2514 is at -3.858701 -1.428677 -2.278560 ESP Fit Center 2515 is at -3.467079 -1.571215 -2.278560 ESP Fit Center 2516 is at -2.437852 -0.389446 -2.455361 ESP Fit Center 2517 is at -2.547825 0.020978 -2.455361 ESP Fit Center 2518 is at -2.848277 0.321429 -2.455361 ESP Fit Center 2519 is at -3.258701 0.431402 -2.455361 ESP Fit Center 2520 is at -3.669125 0.321429 -2.455361 ESP Fit Center 2521 is at -3.969576 0.020978 -2.455361 ESP Fit Center 2522 is at -4.079549 -0.389446 -2.455361 ESP Fit Center 2523 is at -3.969576 -0.799870 -2.455361 ESP Fit Center 2524 is at -3.669125 -1.100322 -2.455361 ESP Fit Center 2525 is at -3.258701 -1.210294 -2.455361 ESP Fit Center 2526 is at -2.848277 -1.100322 -2.455361 ESP Fit Center 2527 is at -2.547825 -0.799870 -2.455361 ESP Fit Center 2528 is at -2.841945 -0.389446 -2.563637 ESP Fit Center 2529 is at -3.050323 -0.028525 -2.563637 ESP Fit Center 2530 is at -3.467079 -0.028525 -2.563637 ESP Fit Center 2531 is at -3.675456 -0.389446 -2.563637 ESP Fit Center 2532 is at -3.467079 -0.750367 -2.563637 ESP Fit Center 2533 is at -3.050323 -0.750367 -2.563637 ESP Fit Center 2534 is at -3.258701 -0.389446 -2.600099 ESP Fit Center 2535 is at -2.223591 -1.288576 2.343452 ESP Fit Center 2536 is at -1.806836 -1.288576 2.306990 ESP Fit Center 2537 is at -2.015214 -0.927655 2.306990 ESP Fit Center 2538 is at -2.431969 -0.927655 2.306990 ESP Fit Center 2539 is at -2.640347 -1.288576 2.306990 ESP Fit Center 2540 is at -2.431969 -1.649497 2.306990 ESP Fit Center 2541 is at -2.015214 -1.649497 2.306990 ESP Fit Center 2542 is at -1.813167 -0.577700 2.198714 ESP Fit Center 2543 is at -2.223591 -0.467727 2.198714 ESP Fit Center 2544 is at -2.634016 -0.577700 2.198714 ESP Fit Center 2545 is at -2.934467 -0.878151 2.198714 ESP Fit Center 2546 is at -3.044440 -1.288576 2.198714 ESP Fit Center 2547 is at -1.512716 -1.699000 2.198714 ESP Fit Center 2548 is at -3.423591 -1.288576 2.021913 ESP Fit Center 2549 is at -1.813167 -0.577700 -2.311811 ESP Fit Center 2550 is at -2.934467 -1.699000 -2.311811 ESP Fit Center 2551 is at -2.634016 -1.999451 -2.311811 ESP Fit Center 2552 is at -2.223591 -2.109424 -2.311811 ESP Fit Center 2553 is at -1.813167 -1.999451 -2.311811 ESP Fit Center 2554 is at -1.512716 -1.699000 -2.311811 ESP Fit Center 2555 is at -1.806836 -1.288576 -2.420087 ESP Fit Center 2556 is at -2.015214 -0.927655 -2.420087 ESP Fit Center 2557 is at -2.431969 -0.927655 -2.420087 ESP Fit Center 2558 is at -2.640347 -1.288576 -2.420087 ESP Fit Center 2559 is at -2.431969 -1.649497 -2.420087 ESP Fit Center 2560 is at -2.015214 -1.649497 -2.420087 ESP Fit Center 2561 is at -2.223591 -1.288576 -2.456548 ESP Fit Center 2562 is at -0.861938 -0.977708 2.330459 ESP Fit Center 2563 is at -0.445182 -0.977708 2.293997 ESP Fit Center 2564 is at -0.653560 -0.616787 2.293997 ESP Fit Center 2565 is at -1.070316 -0.616787 2.293997 ESP Fit Center 2566 is at -1.278694 -0.977708 2.293997 ESP Fit Center 2567 is at -1.070316 -1.338629 2.293997 ESP Fit Center 2568 is at -0.653560 -1.338629 2.293997 ESP Fit Center 2569 is at -0.041090 -0.977708 2.185721 ESP Fit Center 2570 is at -0.151063 -0.567283 2.185721 ESP Fit Center 2571 is at -0.451514 -0.266832 2.185721 ESP Fit Center 2572 is at -0.861938 -0.156859 2.185721 ESP Fit Center 2573 is at -1.272362 -0.266832 2.185721 ESP Fit Center 2574 is at -1.572814 -0.567283 2.185721 ESP Fit Center 2575 is at -1.272362 -1.688583 2.185721 ESP Fit Center 2576 is at -1.070316 -2.159477 -2.148002 ESP Fit Center 2577 is at -0.041090 -0.977708 -2.324804 ESP Fit Center 2578 is at -1.272362 -0.266832 -2.324804 ESP Fit Center 2579 is at -1.572814 -0.567283 -2.324804 ESP Fit Center 2580 is at -1.272362 -1.688583 -2.324804 ESP Fit Center 2581 is at -0.861938 -1.798556 -2.324804 ESP Fit Center 2582 is at -0.451514 -1.688583 -2.324804 ESP Fit Center 2583 is at -0.151063 -1.388132 -2.324804 ESP Fit Center 2584 is at -0.445182 -0.977708 -2.433080 ESP Fit Center 2585 is at -0.653560 -0.616787 -2.433080 ESP Fit Center 2586 is at -1.070316 -0.616787 -2.433080 ESP Fit Center 2587 is at -1.278694 -0.977708 -2.433080 ESP Fit Center 2588 is at -1.070316 -1.338629 -2.433080 ESP Fit Center 2589 is at -0.653560 -1.338629 -2.433080 ESP Fit Center 2590 is at -0.861938 -0.977708 -2.469541 ESP Fit Center 2591 is at -0.148180 0.204289 2.207700 ESP Fit Center 2592 is at 0.268576 0.204289 2.171239 ESP Fit Center 2593 is at 0.060198 0.565210 2.171239 ESP Fit Center 2594 is at -0.356557 0.565210 2.171239 ESP Fit Center 2595 is at -0.564935 0.204289 2.171239 ESP Fit Center 2596 is at -0.356557 -0.156632 2.171239 ESP Fit Center 2597 is at 0.060198 -0.156632 2.171239 ESP Fit Center 2598 is at 0.562696 0.614713 2.062962 ESP Fit Center 2599 is at 0.262245 0.915165 2.062962 ESP Fit Center 2600 is at -0.148180 1.025138 2.062962 ESP Fit Center 2601 is at -0.558604 0.915165 2.062962 ESP Fit Center 2602 is at -0.859055 0.614713 2.062962 ESP Fit Center 2603 is at -0.969028 0.204289 2.062962 ESP Fit Center 2604 is at 0.262245 -0.506586 2.062962 ESP Fit Center 2605 is at 0.060198 1.386058 1.886161 ESP Fit Center 2606 is at -0.356557 1.386058 1.886161 ESP Fit Center 2607 is at -0.969028 2.459551 -0.192300 ESP Fit Center 2608 is at -0.674116 2.508569 -0.609055 ESP Fit Center 2609 is at -1.077109 2.377629 -0.609055 ESP Fit Center 2610 is at -0.469137 2.436596 -1.013148 ESP Fit Center 2611 is at -0.885804 2.335514 -1.013148 ESP Fit Center 2612 is at 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ESP Fit Center 2795 is at -0.001016 -5.369689 -1.057637 ESP Fit Center 2796 is at 0.406107 -5.264277 -1.057637 ESP Fit Center 2797 is at 0.783678 -5.079070 -1.057637 ESP Fit Center 2798 is at 1.116238 -4.821649 -1.057637 ESP Fit Center 2799 is at -0.422653 -5.150592 -1.400327 ESP Fit Center 2800 is at 0.003500 -5.125772 -1.400327 ESP Fit Center 2801 is at 0.412442 -5.003342 -1.400327 ESP Fit Center 2802 is at 0.782127 -4.789905 -1.400327 ESP Fit Center 2803 is at 1.092625 -4.496965 -1.400327 ESP Fit Center 2804 is at 1.327197 -4.140316 -1.400327 ESP Fit Center 2805 is at 1.226937 -3.315196 -1.696143 ESP Fit Center 2806 is at -0.421030 -4.854290 -1.696143 ESP Fit Center 2807 is at -0.001883 -4.825619 -1.696143 ESP Fit Center 2808 is at 0.393985 -4.684928 -1.696143 ESP Fit Center 2809 is at 0.737215 -4.442649 -1.696143 ESP Fit Center 2810 is at 1.002352 -4.116753 -1.696143 ESP Fit Center 2811 is at 1.169730 -3.731409 -1.696143 ESP Fit Center 2812 is at 0.884247 -3.315196 -1.936098 ESP Fit Center 2813 is at -0.524131 -4.496965 -1.936098 ESP Fit Center 2814 is at -0.107375 -4.496965 -1.936098 ESP Fit Center 2815 is at 0.284247 -4.354426 -1.936098 ESP Fit Center 2816 is at 0.603500 -4.086541 -1.936098 ESP Fit Center 2817 is at 0.811878 -3.725620 -1.936098 ESP Fit Center 2818 is at 0.505095 -3.315196 -2.112899 ESP Fit Center 2819 is at -1.026629 -2.904772 -2.112899 ESP Fit Center 2820 is at -0.726177 -4.026071 -2.112899 ESP Fit Center 2821 is at -0.315753 -4.136044 -2.112899 ESP Fit Center 2822 is at 0.094671 -4.026071 -2.112899 ESP Fit Center 2823 is at 0.395123 -3.725620 -2.112899 ESP Fit Center 2824 is at 0.101003 -3.315196 -2.221175 ESP Fit Center 2825 is at -0.107375 -2.954275 -2.221175 ESP Fit Center 2826 is at -0.524131 -2.954275 -2.221175 ESP Fit Center 2827 is at -0.732509 -3.315196 -2.221175 ESP Fit Center 2828 is at -0.524131 -3.676117 -2.221175 ESP Fit Center 2829 is at -0.107375 -3.676117 -2.221175 ESP Fit Center 2830 is at -0.315753 -3.315196 -2.257637 ESP Fit Center 2831 is at -1.624737 -3.487187 2.547888 ESP Fit Center 2832 is at -1.207981 -3.487187 2.511427 ESP Fit Center 2833 is at -1.416359 -3.126266 2.511427 ESP Fit Center 2834 is at -1.833115 -3.126266 2.511427 ESP Fit Center 2835 is at -2.041493 -3.487187 2.511427 ESP Fit Center 2836 is at -1.833115 -3.848108 2.511427 ESP Fit Center 2837 is at -1.416359 -3.848108 2.511427 ESP Fit Center 2838 is at -1.214313 -2.776312 2.403150 ESP Fit Center 2839 is at -1.624737 -2.666339 2.403150 ESP Fit Center 2840 is at -2.035161 -2.776312 2.403150 ESP Fit Center 2841 is at -2.335612 -3.076763 2.403150 ESP Fit Center 2842 is at -2.445585 -3.487187 2.403150 ESP Fit Center 2843 is at -2.335612 -3.897611 2.403150 ESP Fit Center 2844 is at -2.035161 -4.198063 2.403150 ESP Fit Center 2845 is at -1.624737 -4.308035 2.403150 ESP Fit Center 2846 is at -1.214313 -4.198063 2.403150 ESP Fit Center 2847 is at -0.913861 -3.897611 2.403150 ESP Fit Center 2848 is at -1.416359 -2.305418 2.226349 ESP Fit Center 2849 is at -2.752368 -3.897611 2.226349 ESP Fit Center 2850 is at -2.543990 -4.258532 2.226349 ESP Fit Center 2851 is at -2.224737 -4.526418 2.226349 ESP Fit Center 2852 is at -1.833115 -4.668956 2.226349 ESP Fit Center 2853 is at -1.416359 -4.668956 2.226349 ESP Fit Center 2854 is at -1.024737 -4.526418 2.226349 ESP Fit Center 2855 is at -3.039710 -4.101797 1.986395 ESP Fit Center 2856 is at -2.821419 -4.460760 1.986395 ESP Fit Center 2857 is at -1.310867 -4.997611 1.986395 ESP Fit Center 2858 is at -0.914999 -4.856919 1.986395 ESP Fit Center 2859 is at -0.896542 -5.175334 1.690578 ESP Fit Center 2860 is at -3.160787 -4.497463 -1.394802 ESP Fit Center 2861 is at -1.305484 -5.297763 -1.394802 ESP Fit Center 2862 is at -0.896542 -5.175334 -1.394802 ESP Fit Center 2863 is at -2.821419 -4.460760 -1.690619 ESP Fit Center 2864 is at -2.514376 -4.747519 -1.690619 ESP Fit Center 2865 is at -2.141352 -4.940804 -1.690619 ESP Fit Center 2866 is at -1.730014 -5.026281 -1.690619 ESP Fit Center 2867 is at -1.310867 -4.997611 -1.690619 ESP Fit Center 2868 is at -0.914999 -4.856919 -1.690619 ESP Fit Center 2869 is at -2.543990 -4.258532 -1.930573 ESP Fit Center 2870 is at -2.224737 -4.526418 -1.930573 ESP Fit Center 2871 is at -1.833115 -4.668956 -1.930573 ESP Fit Center 2872 is at -1.416359 -4.668956 -1.930573 ESP Fit Center 2873 is at -1.024737 -4.526418 -1.930573 ESP Fit Center 2874 is at -1.214313 -2.776312 -2.107374 ESP Fit Center 2875 is at -2.335612 -3.897611 -2.107374 ESP Fit Center 2876 is at -2.035161 -4.198063 -2.107374 ESP Fit Center 2877 is at -1.624737 -4.308035 -2.107374 ESP Fit Center 2878 is at -1.214313 -4.198063 -2.107374 ESP Fit Center 2879 is at -1.207981 -3.487187 -2.215651 ESP Fit Center 2880 is at -1.416359 -3.126266 -2.215651 ESP Fit Center 2881 is at -1.833115 -3.126266 -2.215651 ESP Fit Center 2882 is at -2.041493 -3.487187 -2.215651 ESP Fit Center 2883 is at -1.833115 -3.848108 -2.215651 ESP Fit Center 2884 is at -1.416359 -3.848108 -2.215651 ESP Fit Center 2885 is at -1.624737 -3.487187 -2.252112 ESP Fit Center 2886 is at -2.566560 -2.571061 2.450124 ESP Fit Center 2887 is at -2.149805 -2.571061 2.413663 ESP Fit Center 2888 is at -2.358182 -2.210140 2.413663 ESP Fit Center 2889 is at -2.774938 -2.210140 2.413663 ESP Fit Center 2890 is at -2.983316 -2.571061 2.413663 ESP Fit Center 2891 is at -2.774938 -2.931982 2.413663 ESP Fit Center 2892 is at -2.358182 -2.931982 2.413663 ESP Fit Center 2893 is at -1.855685 -2.160637 2.305387 ESP Fit Center 2894 is at -2.156136 -1.860186 2.305387 ESP Fit Center 2895 is at -2.566560 -1.750213 2.305387 ESP Fit Center 2896 is at -2.976984 -1.860186 2.305387 ESP Fit Center 2897 is at -3.277436 -2.160637 2.305387 ESP Fit Center 2898 is at -3.387409 -2.571061 2.305387 ESP Fit Center 2899 is at -3.277436 -2.981485 2.305387 ESP Fit Center 2900 is at -2.976984 -3.281937 2.305387 ESP Fit Center 2901 is at -3.485814 -1.799716 2.128585 ESP Fit Center 2902 is at -3.694191 -2.160637 2.128585 ESP Fit Center 2903 is at -3.766560 -2.571061 2.128585 ESP Fit Center 2904 is at -3.694191 -2.981485 2.128585 ESP Fit Center 2905 is at -3.485814 -3.342406 2.128585 ESP Fit Center 2906 is at -3.166560 -3.610292 2.128585 ESP Fit Center 2907 is at -3.763243 -1.597488 1.888631 ESP Fit Center 2908 is at -3.981533 -1.956452 1.888631 ESP Fit Center 2909 is at -4.094882 -2.360998 1.888631 ESP Fit Center 2910 is at -4.094882 -2.781124 1.888631 ESP Fit Center 2911 is at -3.981533 -3.185671 1.888631 ESP Fit Center 2912 is at -3.763243 -3.544634 1.888631 ESP Fit Center 2913 is at -3.456199 -3.831393 1.888631 ESP Fit Center 2914 is at -4.294191 -1.942255 1.592815 ESP Fit Center 2915 is at -4.392636 -2.357624 1.592815 ESP Fit Center 2916 is at -4.392636 -2.784499 1.592815 ESP Fit Center 2917 is at -4.294191 -3.199867 1.592815 ESP Fit Center 2918 is at -4.102610 -3.581337 1.592815 ESP Fit Center 2919 is at -3.828220 -3.908342 1.592815 ESP Fit Center 2920 is at -3.485814 -4.163255 1.592815 ESP Fit Center 2921 is at 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-4.279415 0.466880 ESP Fit Center 2940 is at -4.930099 -2.154306 0.050124 ESP Fit Center 2941 is at -4.966560 -2.571061 0.050124 ESP Fit Center 2942 is at -4.930099 -2.987817 0.050124 ESP Fit Center 2943 is at -4.821823 -3.391910 0.050124 ESP Fit Center 2944 is at -4.645021 -3.771061 0.050124 ESP Fit Center 2945 is at -4.405067 -4.113751 0.050124 ESP Fit Center 2946 is at -4.109251 -4.409568 0.050124 ESP Fit Center 2947 is at -4.920584 -2.359195 -0.366631 ESP Fit Center 2948 is at -4.920584 -2.782927 -0.366631 ESP Fit Center 2949 is at -4.844924 -3.199850 -0.366631 ESP Fit Center 2950 is at -4.696035 -3.596562 -0.366631 ESP Fit Center 2951 is at -4.478703 -3.960314 -0.366631 ESP Fit Center 2952 is at -4.199914 -4.279415 -0.366631 ESP Fit Center 2953 is at -3.868627 -4.543607 -0.366631 ESP Fit Center 2954 is at -4.811611 -2.356685 -0.770724 ESP Fit Center 2955 is at -4.811611 -2.785437 -0.770724 ESP Fit Center 2956 is at -4.730469 -3.206442 -0.770724 ESP Fit Center 2957 is at -4.571117 -3.604482 -0.770724 ESP Fit Center 2958 is at -4.339316 -3.965172 -0.770724 ESP Fit Center 2959 is at -4.043443 -4.275475 -0.770724 ESP Fit Center 2960 is at -3.694191 -4.524176 -0.770724 ESP Fit Center 2961 is at -4.634357 -2.360787 -1.149876 ESP Fit Center 2962 is at -4.634357 -2.781336 -1.149876 ESP Fit Center 2963 is at -4.549702 -3.193276 -1.149876 ESP Fit Center 2964 is at -4.383856 -3.579742 -1.149876 ESP Fit Center 2965 is at -4.143609 -3.924913 -1.149876 ESP Fit Center 2966 is at -3.838799 -4.214658 -1.149876 ESP Fit Center 2967 is at -3.481902 -4.437113 -1.149876 ESP Fit Center 2968 is at -4.392636 -2.357624 -1.492566 ESP Fit Center 2969 is at -4.392636 -2.784499 -1.492566 ESP Fit Center 2970 is at -4.294191 -3.199867 -1.492566 ESP Fit Center 2971 is at -4.102610 -3.581337 -1.492566 ESP Fit Center 2972 is at -3.828220 -3.908342 -1.492566 ESP Fit Center 2973 is at -3.485814 -4.163255 -1.492566 ESP Fit Center 2974 is at -4.094882 -2.360998 -1.788382 ESP Fit Center 2975 is at -4.094882 -2.781124 -1.788382 ESP Fit Center 2976 is at -3.981533 -3.185671 -1.788382 ESP Fit Center 2977 is at -3.763243 -3.544634 -1.788382 ESP Fit Center 2978 is at -3.456199 -3.831393 -1.788382 ESP Fit Center 2979 is at -3.083176 -4.024678 -1.788382 ESP Fit Center 2980 is at -3.694191 -2.160637 -2.028337 ESP Fit Center 2981 is at -3.766560 -2.571061 -2.028337 ESP Fit Center 2982 is at -3.694191 -2.981485 -2.028337 ESP Fit Center 2983 is at -3.485814 -3.342406 -2.028337 ESP Fit Center 2984 is at -3.166560 -3.610292 -2.028337 ESP Fit Center 2985 is at -2.774938 -3.752830 -2.028337 ESP Fit Center 2986 is at -1.745712 -2.571061 -2.205138 ESP Fit Center 2987 is at -3.277436 -2.160637 -2.205138 ESP Fit Center 2988 is at -3.387409 -2.571061 -2.205138 ESP Fit Center 2989 is at -3.277436 -2.981485 -2.205138 ESP Fit Center 2990 is at -2.976984 -3.281937 -2.205138 ESP Fit Center 2991 is at -2.566560 -3.391910 -2.205138 ESP Fit Center 2992 is at -2.156136 -3.281937 -2.205138 ESP Fit Center 2993 is at -1.855685 -2.981485 -2.205138 ESP Fit Center 2994 is at -2.149805 -2.571061 -2.313414 ESP Fit Center 2995 is at -2.358182 -2.210140 -2.313414 ESP Fit Center 2996 is at -2.774938 -2.210140 -2.313414 ESP Fit Center 2997 is at -2.983316 -2.571061 -2.313414 ESP Fit Center 2998 is at -2.774938 -2.931982 -2.313414 ESP Fit Center 2999 is at -2.358182 -2.931982 -2.313414 ESP Fit Center 3000 is at -2.566560 -2.571061 -2.349876 ESP Fit Center 3001 is at 1.431759 -3.709031 1.948084 ESP Fit Center 3002 is at 1.736679 -4.013951 1.948084 ESP Fit Center 3003 is at 2.153207 -4.125559 1.948084 ESP Fit Center 3004 is at 2.569736 -4.013951 1.948084 ESP Fit Center 3005 is at 1.554657 -4.329222 1.719340 ESP Fit Center 3006 is at 1.945333 -4.471416 1.719340 ESP Fit Center 3007 is at 2.361081 -4.471416 1.719340 ESP Fit Center 3008 is at 2.751757 -4.329222 1.719340 ESP Fit Center 3009 is at 1.529621 -4.657966 1.415324 ESP Fit Center 3010 is at 1.939576 -4.778340 1.415324 ESP Fit Center 3011 is at 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ESP Fit Center 3030 is at 2.666862 -5.142518 0.218224 ESP Fit Center 3031 is at 3.052551 -4.988846 0.218224 ESP Fit Center 3032 is at 3.396189 -4.755854 0.218224 ESP Fit Center 3033 is at 3.681706 -4.454437 0.218224 ESP Fit Center 3034 is at 1.736679 -5.117433 -0.209016 ESP Fit Center 3035 is at 2.153207 -5.164364 -0.209016 ESP Fit Center 3036 is at 2.569736 -5.117433 -0.209016 ESP Fit Center 3037 is at 2.965377 -4.978991 -0.209016 ESP Fit Center 3038 is at 3.320294 -4.755983 -0.209016 ESP Fit Center 3039 is at 1.539790 -4.909950 -0.614833 ESP Fit Center 3040 is at 1.944696 -5.009750 -0.614833 ESP Fit Center 3041 is at 2.361719 -5.009750 -0.614833 ESP Fit Center 3042 is at 2.766624 -4.909950 -0.614833 ESP Fit Center 3043 is at 3.135880 -4.716149 -0.614833 ESP Fit Center 3044 is at 1.529621 -4.657966 -0.978876 ESP Fit Center 3045 is at 1.939576 -4.778340 -0.978876 ESP Fit Center 3046 is at 2.366838 -4.778340 -0.978876 ESP Fit Center 3047 is at 2.776793 -4.657966 -0.978876 ESP Fit Center 3048 is at 1.554657 -4.329222 -1.282892 ESP Fit Center 3049 is at 1.945333 -4.471416 -1.282892 ESP Fit Center 3050 is at 2.361081 -4.471416 -1.282892 ESP Fit Center 3051 is at 1.431759 -3.709031 -1.511636 ESP Fit Center 3052 is at 1.736679 -4.013951 -1.511636 ESP Fit Center 3053 is at 2.153207 -4.125559 -1.511636 ESP Fit Center 3054 is at 5.518721 -2.786755 0.667419 ESP Fit Center 3055 is at 4.529495 -3.965669 0.667419 ESP Fit Center 3056 is at 4.920170 -3.823475 0.667419 ESP Fit Center 3057 is at 5.238652 -3.556237 0.667419 ESP Fit Center 3058 is at 5.446527 -3.196188 0.667419 ESP Fit Center 3059 is at 5.822737 -2.786755 0.363403 ESP Fit Center 3060 is at 5.761931 -2.363842 0.363403 ESP Fit Center 3061 is at 5.584440 -1.975191 0.363403 ESP Fit Center 3062 is at 4.107989 -4.272593 0.363403 ESP Fit Center 3063 is at 4.535251 -4.272593 0.363403 ESP Fit Center 3064 is at 4.945207 -4.152219 0.363403 ESP Fit Center 3065 is at 5.304642 -3.921223 0.363403 ESP Fit Center 3066 is at 5.584440 -3.598320 0.363403 ESP Fit Center 3067 is at 5.761931 -3.209669 0.363403 ESP Fit Center 3068 is at 6.051480 -2.786755 -0.000640 ESP Fit Center 3069 is at 6.001214 -2.372773 -0.000640 ESP Fit Center 3070 is at 5.853335 -1.982849 -0.000640 ESP Fit Center 3071 is at 5.616439 -1.639646 -0.000640 ESP Fit Center 3072 is at 3.708203 -4.404203 -0.000640 ESP Fit Center 3073 is at 4.113109 -4.504003 -0.000640 ESP Fit Center 3074 is at 4.530132 -4.504003 -0.000640 ESP Fit Center 3075 is at 4.935037 -4.404203 -0.000640 ESP Fit Center 3076 is at 5.304293 -4.210402 -0.000640 ESP Fit Center 3077 is at 5.616439 -3.933865 -0.000640 ESP Fit Center 3078 is at 5.853335 -3.590661 -0.000640 ESP Fit Center 3079 is at 6.001214 -3.200738 -0.000640 ESP Fit Center 3080 is at 6.193482 -2.786755 -0.406457 ESP Fit Center 3081 is at 6.146550 -2.370227 -0.406457 ESP Fit Center 3082 is at 6.008109 -1.974585 -0.406457 ESP Fit Center 3083 is at 5.785101 -1.619669 -0.406457 ESP Fit Center 3084 is at 3.905092 -4.611685 -0.406457 ESP Fit Center 3085 is at 4.321620 -4.658617 -0.406457 ESP Fit Center 3086 is at 4.738149 -4.611685 -0.406457 ESP Fit Center 3087 is at 5.133791 -4.473244 -0.406457 ESP Fit Center 3088 is at 5.488707 -4.250236 -0.406457 ESP Fit Center 3089 is at 5.785101 -3.953842 -0.406457 ESP Fit Center 3090 is at 6.008109 -3.598926 -0.406457 ESP Fit Center 3091 is at 6.146550 -3.203284 -0.406457 ESP Fit Center 3092 is at 6.241620 -2.786755 -0.833697 ESP Fit Center 3093 is at 6.196732 -2.374012 -0.833697 ESP Fit Center 3094 is at 6.064165 -1.980568 -0.833697 ESP Fit Center 3095 is at 5.850119 -1.624821 -0.833697 ESP Fit Center 3096 is at 3.610955 -4.570391 -0.833697 ESP Fit Center 3097 is at 4.010999 -4.681462 -0.833697 ESP Fit Center 3098 is at 4.425567 -4.703940 -0.833697 ESP Fit Center 3099 is at 4.835275 -4.636771 -0.833697 ESP Fit Center 3100 is at 5.220964 -4.483098 -0.833697 ESP Fit Center 3101 is at 5.564602 -4.250107 -0.833697 ESP Fit Center 3102 is at 5.850119 -3.948690 -0.833697 ESP Fit Center 3103 is at 6.064165 -3.592942 -0.833697 ESP Fit Center 3104 is at 6.196732 -3.199499 -0.833697 ESP Fit Center 3105 is at 6.193482 -2.786755 -1.260937 ESP Fit Center 3106 is at 6.146550 -2.370227 -1.260937 ESP Fit Center 3107 is at 6.008109 -1.974585 -1.260937 ESP Fit Center 3108 is at 3.905092 -4.611685 -1.260937 ESP Fit Center 3109 is at 4.321620 -4.658617 -1.260937 ESP Fit Center 3110 is at 4.738149 -4.611685 -1.260937 ESP Fit Center 3111 is at 5.133791 -4.473244 -1.260937 ESP Fit Center 3112 is at 5.488707 -4.250236 -1.260937 ESP Fit Center 3113 is at 5.785101 -3.953842 -1.260937 ESP Fit Center 3114 is at 6.008109 -3.598926 -1.260937 ESP Fit Center 3115 is at 6.146550 -3.203284 -1.260937 ESP Fit Center 3116 is at 6.051480 -2.786755 -1.666754 ESP Fit Center 3117 is at 6.001214 -2.372773 -1.666754 ESP Fit Center 3118 is at 5.853335 -1.982849 -1.666754 ESP Fit Center 3119 is at 4.113109 -4.504003 -1.666754 ESP Fit Center 3120 is at 4.530132 -4.504003 -1.666754 ESP Fit Center 3121 is at 4.935037 -4.404203 -1.666754 ESP Fit Center 3122 is at 5.304293 -4.210402 -1.666754 ESP Fit Center 3123 is at 5.616439 -3.933865 -1.666754 ESP Fit Center 3124 is at 5.853335 -3.590661 -1.666754 ESP Fit Center 3125 is at 6.001214 -3.200738 -1.666754 ESP Fit Center 3126 is at 5.822737 -2.786755 -2.030798 ESP Fit Center 3127 is at 5.761931 -2.363842 -2.030798 ESP Fit Center 3128 is at 4.107989 -4.272593 -2.030798 ESP Fit Center 3129 is at 4.535251 -4.272593 -2.030798 ESP Fit Center 3130 is at 4.945207 -4.152219 -2.030798 ESP Fit Center 3131 is at 5.304642 -3.921223 -2.030798 ESP Fit Center 3132 is at 5.584440 -3.598320 -2.030798 ESP Fit Center 3133 is at 5.761931 -3.209669 -2.030798 ESP Fit Center 3134 is at 5.518721 -2.786755 -2.334814 ESP Fit Center 3135 is at 4.529495 -3.965669 -2.334814 ESP Fit Center 3136 is at 4.920170 -3.823475 -2.334814 ESP Fit Center 3137 is at 5.238652 -3.556237 -2.334814 ESP Fit Center 3138 is at 5.446527 -3.196188 -2.334814 ESP Fit Center 3139 is at 4.738149 -3.508204 -2.563557 ESP Fit Center 3140 is at 5.043069 -3.203284 -2.563557 ESP Fit Center 3141 is at 1.179717 -3.054709 -1.935460 ESP Fit Center 3142 is at 1.354045 -3.431513 -1.935460 ESP Fit Center 3143 is at 1.605299 -3.762033 -1.935460 ESP Fit Center 3144 is at 1.921732 -4.030812 -1.935460 ESP Fit Center 3145 is at 2.288546 -4.225285 -1.935460 ESP Fit Center 3146 is at 2.688589 -4.336357 -1.935460 ESP Fit Center 3147 is at 3.103157 -4.358834 -1.935460 ESP Fit Center 3148 is at 1.832124 -0.978169 -2.362700 ESP Fit Center 3149 is at 1.127349 -2.441650 -2.362700 ESP Fit Center 3150 is at 1.174281 -2.858178 -2.362700 ESP Fit Center 3151 is at 1.312722 -3.253820 -2.362700 ESP Fit Center 3152 is at 1.535730 -3.608736 -2.362700 ESP Fit Center 3153 is at 1.832124 -3.905130 -2.362700 ESP Fit Center 3154 is at 2.187040 -4.128139 -2.362700 ESP Fit Center 3155 is at 2.582682 -4.266580 -2.362700 ESP Fit Center 3156 is at 2.999211 -4.313511 -2.362700 ESP Fit Center 3157 is at 3.415739 -4.266580 -2.362700 ESP Fit Center 3158 is at 3.811381 -4.128139 -2.362700 ESP Fit Center 3159 is at 2.385794 -0.824202 -2.768516 ESP Fit Center 3160 is at 2.016538 -1.018003 -2.768516 ESP Fit Center 3161 is at 1.704392 -1.294540 -2.768516 ESP Fit Center 3162 is at 1.467496 -1.637743 -2.768516 ESP Fit Center 3163 is at 1.319617 -2.027667 -2.768516 ESP Fit Center 3164 is at 1.269351 -2.441650 -2.768516 ESP Fit Center 3165 is at 1.319617 -2.855632 -2.768516 ESP Fit Center 3166 is at 1.467496 -3.245556 -2.768516 ESP Fit Center 3167 is at 1.704392 -3.588759 -2.768516 ESP Fit Center 3168 is at 2.016538 -3.865297 -2.768516 ESP Fit Center 3169 is at 2.385794 -4.059097 -2.768516 ESP Fit Center 3170 is at 2.790699 -4.158897 -2.768516 ESP Fit Center 3171 is at 3.207722 -4.158897 -2.768516 ESP Fit Center 3172 is at 3.612628 -4.059097 -2.768516 ESP Fit Center 3173 is at 3.981883 -3.865297 -2.768516 ESP Fit Center 3174 is at 4.294030 -3.588759 -2.768516 ESP Fit Center 3175 is at 3.212842 -0.955812 -3.132560 ESP Fit Center 3176 is at 2.785580 -0.955812 -3.132560 ESP Fit Center 3177 is at 2.375624 -1.076186 -3.132560 ESP Fit Center 3178 is at 2.016189 -1.307181 -3.132560 ESP Fit Center 3179 is at 1.736391 -1.630085 -3.132560 ESP Fit Center 3180 is at 1.558900 -2.018736 -3.132560 ESP Fit Center 3181 is at 1.498094 -2.441650 -3.132560 ESP Fit Center 3182 is at 1.558900 -2.864563 -3.132560 ESP Fit Center 3183 is at 1.736391 -3.253214 -3.132560 ESP Fit Center 3184 is at 2.016189 -3.576118 -3.132560 ESP Fit Center 3185 is at 2.375624 -3.807113 -3.132560 ESP Fit Center 3186 is at 2.785580 -3.927487 -3.132560 ESP Fit Center 3187 is at 3.212842 -3.927487 -3.132560 ESP Fit Center 3188 is at 3.622797 -3.807113 -3.132560 ESP Fit Center 3189 is at 3.982233 -3.576118 -3.132560 ESP Fit Center 3190 is at 4.262030 -3.253214 -3.132560 ESP Fit Center 3191 is at 4.439521 -2.864563 -3.132560 ESP Fit Center 3192 is at 4.196311 -2.441650 -3.436576 ESP Fit Center 3193 is at 4.124117 -2.032217 -3.436576 ESP Fit Center 3194 is at 3.916243 -1.672168 -3.436576 ESP Fit Center 3195 is at 3.597761 -1.404930 -3.436576 ESP Fit Center 3196 is at 3.207085 -1.262736 -3.436576 ESP Fit Center 3197 is at 2.791336 -1.262736 -3.436576 ESP Fit Center 3198 is at 2.400661 -1.404930 -3.436576 ESP Fit Center 3199 is at 2.082179 -1.672168 -3.436576 ESP Fit Center 3200 is at 1.874304 -2.032217 -3.436576 ESP Fit Center 3201 is at 1.802110 -2.441650 -3.436576 ESP Fit Center 3202 is at 1.874304 -2.851082 -3.436576 ESP Fit Center 3203 is at 2.082179 -3.211131 -3.436576 ESP Fit Center 3204 is at 2.400661 -3.478369 -3.436576 ESP Fit Center 3205 is at 2.791336 -3.620563 -3.436576 ESP Fit Center 3206 is at 3.207085 -3.620563 -3.436576 ESP Fit Center 3207 is at 3.597761 -3.478369 -3.436576 ESP Fit Center 3208 is at 3.916243 -3.211131 -3.436576 ESP Fit Center 3209 is at 4.124117 -2.851082 -3.436576 ESP Fit Center 3210 is at 3.832268 -2.441650 -3.665320 ESP Fit Center 3211 is at 3.720659 -2.025121 -3.665320 ESP Fit Center 3212 is at 3.415739 -1.720201 -3.665320 ESP Fit Center 3213 is at 2.999211 -1.608593 -3.665320 ESP Fit Center 3214 is at 2.582682 -1.720201 -3.665320 ESP Fit Center 3215 is at 2.277762 -2.025121 -3.665320 ESP Fit Center 3216 is at 2.166154 -2.441650 -3.665320 ESP Fit Center 3217 is at 2.277762 -2.858178 -3.665320 ESP Fit Center 3218 is at 2.582682 -3.163098 -3.665320 ESP Fit Center 3219 is at 2.999211 -3.274706 -3.665320 ESP Fit Center 3220 is at 3.415739 -3.163098 -3.665320 ESP Fit Center 3221 is at 3.720659 -2.858178 -3.665320 ESP Fit Center 3222 is at 3.426451 -2.441650 -3.807321 ESP Fit Center 3223 is at 3.212831 -2.071649 -3.807321 ESP Fit Center 3224 is at 2.785591 -2.071649 -3.807321 ESP Fit Center 3225 is at 2.571971 -2.441650 -3.807321 ESP Fit Center 3226 is at 2.785591 -2.811650 -3.807321 ESP Fit Center 3227 is at 3.212831 -2.811650 -3.807321 ESP Fit Center 3228 is at 2.999211 -2.441650 -3.855460 ESP Fit Center 3229 is at 2.190157 0.672608 2.140503 ESP Fit Center 3230 is at 2.606912 0.672608 2.104042 ESP Fit Center 3231 is at 1.773401 0.672608 2.104042 ESP Fit Center 3232 is at 1.981779 0.311687 2.104042 ESP Fit Center 3233 is at 2.398535 0.311687 2.104042 ESP Fit Center 3234 is at 3.011005 0.672608 1.995766 ESP Fit Center 3235 is at 3.390157 0.672608 1.818964 ESP Fit Center 3236 is at 3.732847 0.672608 1.579010 ESP Fit Center 3237 is at 3.675640 1.088821 1.579010 ESP Fit Center 3238 is at 4.028663 0.672608 1.283194 ESP Fit Center 3239 is at 3.979106 0.248620 1.283194 ESP Fit Center 3240 is at 4.226071 0.254217 0.940503 ESP Fit Center 3241 is at 4.283870 -0.165588 0.561352 ESP Fit Center 3242 is at 4.404663 0.245797 0.561352 ESP Fit Center 3243 is at 2.398535 1.854378 -2.337958 ESP Fit Center 3244 is at 1.590157 1.711839 -2.337958 ESP Fit Center 3245 is at 1.270903 1.443954 -2.337958 ESP Fit Center 3246 is at 1.062526 1.083033 -2.337958 ESP Fit Center 3247 is at 3.011005 0.672608 -2.514759 ESP Fit Center 3248 is at 2.600581 1.383484 -2.514759 ESP Fit Center 3249 is at 2.190157 1.493457 -2.514759 ESP Fit Center 3250 is at 1.779733 1.383484 -2.514759 ESP Fit Center 3251 is at 1.479281 1.083033 -2.514759 ESP Fit Center 3252 is at 1.369308 0.672608 -2.514759 ESP Fit Center 3253 is at 1.479281 0.262184 -2.514759 ESP Fit Center 3254 is at 1.779733 -0.038267 -2.514759 ESP Fit Center 3255 is at 2.190157 -0.148240 -2.514759 ESP Fit Center 3256 is at 2.600581 -0.038267 -2.514759 ESP Fit Center 3257 is at 2.901032 0.262184 -2.514759 ESP Fit Center 3258 is at 2.606912 0.672608 -2.623035 ESP Fit Center 3259 is at 2.398535 1.033529 -2.623035 ESP Fit Center 3260 is at 1.981779 1.033529 -2.623035 ESP Fit Center 3261 is at 1.773401 0.672608 -2.623035 ESP Fit Center 3262 is at 1.981779 0.311687 -2.623035 ESP Fit Center 3263 is at 2.398535 0.311687 -2.623035 ESP Fit Center 3264 is at 2.190157 0.672608 -2.659497 ESP Fit Center 3265 is at 4.942828 -0.708219 0.400476 ESP Fit Center 3266 is at 4.734954 -0.348170 0.400476 ESP Fit Center 3267 is at 4.416472 -0.080932 0.400476 ESP Fit Center 3268 is at 5.258233 -0.694738 0.096460 ESP Fit Center 3269 is at 5.080741 -0.306087 0.096460 ESP Fit Center 3270 is at 4.800944 0.016817 0.096460 ESP Fit Center 3271 is at 5.547782 -1.117651 -0.267584 ESP Fit Center 3272 is at 5.497515 -0.703669 -0.267584 ESP Fit Center 3273 is at 5.349637 -0.313745 -0.267584 ESP Fit Center 3274 is at 5.112741 0.029458 -0.267584 ESP Fit Center 3275 is at 5.689783 -1.117651 -0.673401 ESP Fit Center 3276 is at 5.642852 -0.701123 -0.673401 ESP Fit Center 3277 is at 5.504411 -0.305481 -0.673401 ESP Fit Center 3278 is at 5.281402 0.049435 -0.673401 ESP Fit Center 3279 is at 5.737922 -1.117651 -1.100641 ESP Fit Center 3280 is at 5.693033 -0.704908 -1.100641 ESP Fit Center 3281 is at 5.560467 -0.311464 -1.100641 ESP Fit Center 3282 is at 5.346421 0.044283 -1.100641 ESP Fit Center 3283 is at 5.689783 -1.117651 -1.527881 ESP Fit Center 3284 is at 5.642852 -0.701123 -1.527881 ESP Fit Center 3285 is at 5.504411 -0.305481 -1.527881 ESP Fit Center 3286 is at 5.281402 0.049435 -1.527881 ESP Fit Center 3287 is at 5.547782 -1.117651 -1.933698 ESP Fit Center 3288 is at 5.497515 -0.703669 -1.933698 ESP Fit Center 3289 is at 5.349637 -0.313745 -1.933698 ESP Fit Center 3290 is at 5.112741 0.029458 -1.933698 ESP Fit Center 3291 is at 5.319038 -1.117651 -2.297741 ESP Fit Center 3292 is at 5.258233 -0.694738 -2.297741 ESP Fit Center 3293 is at 5.080741 -0.306087 -2.297741 ESP Fit Center 3294 is at 4.800944 0.016817 -2.297741 ESP Fit Center 3295 is at 5.015022 -1.117651 -2.601757 ESP Fit Center 3296 is at 4.942828 -0.708219 -2.601757 ESP Fit Center 3297 is at 4.734954 -0.348170 -2.601757 ESP Fit Center 3298 is at 4.416472 -0.080932 -2.601757 ESP Fit Center 3299 is at 4.025796 0.061262 -2.601757 ESP Fit Center 3300 is at 3.610048 0.061262 -2.601757 ESP Fit Center 3301 is at 3.219372 -0.080932 -2.601757 ESP Fit Center 3302 is at 2.900890 -0.348170 -2.601757 ESP Fit Center 3303 is at 4.539370 -0.701123 -2.830501 ESP Fit Center 3304 is at 4.234450 -0.396203 -2.830501 ESP Fit Center 3305 is at 3.817922 -0.284595 -2.830501 ESP Fit Center 3306 is at 3.401393 -0.396203 -2.830501 ESP Fit Center 3307 is at 4.031542 -0.747651 -2.972502 ESP Fit Center 3308 is at 3.604302 -0.747651 -2.972502 ESP Fit Center 3309 is at 3.804650 -2.398499 3.473059 ESP Fit Center 3310 is at 4.231890 -2.398499 3.424921 ESP Fit Center 3311 is at 4.018270 -2.028498 3.424921 ESP Fit Center 3312 is at 3.591030 -2.768500 3.424921 ESP Fit Center 3313 is at 4.018270 -2.768500 3.424921 ESP Fit Center 3314 is at 4.637707 -2.398499 3.282919 ESP Fit Center 3315 is at 4.526098 -1.981970 3.282919 ESP Fit Center 3316 is at 4.221178 -1.677050 3.282919 ESP Fit Center 3317 is at 3.388121 -3.119947 3.282919 ESP Fit Center 3318 is at 3.804650 -3.231556 3.282919 ESP Fit Center 3319 is at 4.221178 -3.119947 3.282919 ESP Fit Center 3320 is at 4.526098 -2.815027 3.282919 ESP Fit Center 3321 is at 5.001750 -2.398499 3.054176 ESP Fit Center 3322 is at 4.929556 -1.989066 3.054176 ESP Fit Center 3323 is at 4.721682 -1.629017 3.054176 ESP Fit Center 3324 is at 3.206100 -3.435218 3.054176 ESP Fit Center 3325 is at 3.596775 -3.577413 3.054176 ESP Fit Center 3326 is at 4.012524 -3.577413 3.054176 ESP Fit Center 3327 is at 4.403200 -3.435218 3.054176 ESP Fit Center 3328 is at 4.721682 -3.167980 3.054176 ESP Fit Center 3329 is at 4.929556 -2.807931 3.054176 ESP Fit Center 3330 is at 5.305766 -2.398499 2.750160 ESP Fit Center 3331 is at 5.244960 -1.975585 2.750160 ESP Fit Center 3332 is at 5.067469 -1.586934 2.750160 ESP Fit Center 3333 is at 4.787672 -1.264031 2.750160 ESP Fit Center 3334 is at 3.181063 -3.763962 2.750160 ESP Fit Center 3335 is at 3.591019 -3.884336 2.750160 ESP Fit Center 3336 is at 4.018281 -3.884336 2.750160 ESP Fit Center 3337 is at 4.428236 -3.763962 2.750160 ESP Fit Center 3338 is at 4.787672 -3.532967 2.750160 ESP Fit Center 3339 is at 5.067469 -3.210064 2.750160 ESP Fit Center 3340 is at 5.244960 -2.821412 2.750160 ESP Fit Center 3341 is at 5.534510 -2.398499 2.386116 ESP Fit Center 3342 is at 5.484243 -1.984516 2.386116 ESP Fit Center 3343 is at 5.336365 -1.594593 2.386116 ESP Fit Center 3344 is at 5.099469 -1.251389 2.386116 ESP Fit Center 3345 is at 3.191233 -4.015946 2.386116 ESP Fit Center 3346 is at 3.596138 -4.115746 2.386116 ESP Fit Center 3347 is at 4.013161 -4.115746 2.386116 ESP Fit Center 3348 is at 4.418067 -4.015946 2.386116 ESP Fit Center 3349 is at 4.787322 -3.822146 2.386116 ESP Fit Center 3350 is at 5.099469 -3.545608 2.386116 ESP Fit Center 3351 is at 5.336365 -3.202405 2.386116 ESP Fit Center 3352 is at 5.484243 -2.812481 2.386116 ESP Fit Center 3353 is at 5.676511 -2.398499 1.980299 ESP Fit Center 3354 is at 5.629580 -1.981970 1.980299 ESP Fit Center 3355 is at 5.491139 -1.586328 1.980299 ESP Fit Center 3356 is at 5.268130 -1.231412 1.980299 ESP Fit Center 3357 is at 2.992479 -4.084988 1.980299 ESP Fit Center 3358 is at 3.388121 -4.223429 1.980299 ESP Fit Center 3359 is at 3.804650 -4.270360 1.980299 ESP Fit Center 3360 is at 4.221178 -4.223429 1.980299 ESP Fit Center 3361 is at 4.616820 -4.084988 1.980299 ESP Fit Center 3362 is at 4.971736 -3.861979 1.980299 ESP Fit Center 3363 is at 5.268130 -3.565585 1.980299 ESP Fit Center 3364 is at 5.491139 -3.210669 1.980299 ESP Fit Center 3365 is at 5.629580 -2.815027 1.980299 ESP Fit Center 3366 is at 5.724650 -2.398499 1.553059 ESP Fit Center 3367 is at 5.679761 -1.985756 1.553059 ESP Fit Center 3368 is at 5.547195 -1.592312 1.553059 ESP Fit Center 3369 is at 5.333148 -1.236564 1.553059 ESP Fit Center 3370 is at 3.494028 -4.293206 1.553059 ESP Fit Center 3371 is at 3.908596 -4.315683 1.553059 ESP Fit Center 3372 is at 4.318304 -4.248515 1.553059 ESP Fit Center 3373 is at 4.703994 -4.094842 1.553059 ESP Fit Center 3374 is at 5.047631 -3.861850 1.553059 ESP Fit Center 3375 is at 5.333148 -3.560433 1.553059 ESP Fit Center 3376 is at 5.547195 -3.204686 1.553059 ESP Fit Center 3377 is at 5.679761 -2.811242 1.553059 ESP Fit Center 3378 is at 5.676511 -2.398499 1.125819 ESP Fit Center 3379 is at 5.629580 -1.981970 1.125819 ESP Fit Center 3380 is at 5.491139 -1.586328 1.125819 ESP Fit Center 3381 is at 5.268130 -1.231412 1.125819 ESP Fit Center 3382 is at 3.804650 -4.270360 1.125819 ESP Fit Center 3383 is at 4.221178 -4.223429 1.125819 ESP Fit Center 3384 is at 4.616820 -4.084988 1.125819 ESP Fit Center 3385 is at 4.971736 -3.861979 1.125819 ESP Fit Center 3386 is at 5.268130 -3.565585 1.125819 ESP Fit Center 3387 is at 5.491139 -3.210669 1.125819 ESP Fit Center 3388 is at 5.629580 -2.815027 1.125819 ESP Fit Center 3389 is at 5.534510 -2.398499 0.720002 ESP Fit Center 3390 is at 5.484243 -1.984516 0.720002 ESP Fit Center 3391 is at 5.336365 -1.594593 0.720002 ESP Fit Center 3392 is at 4.013161 -4.115746 0.720002 ESP Fit Center 3393 is at 4.418067 -4.015946 0.720002 ESP Fit Center 3394 is at 4.787322 -3.822146 0.720002 ESP Fit Center 3395 is at 5.484243 -2.812481 0.720002 ESP Fit Center 3396 is at 2.010975 1.897243 2.441604 ESP Fit Center 3397 is at 2.427730 1.897243 2.405142 ESP Fit Center 3398 is at 2.219353 2.258164 2.405142 ESP Fit Center 3399 is at 1.802597 2.258164 2.405142 ESP Fit Center 3400 is at 1.594219 1.897243 2.405142 ESP Fit Center 3401 is at 1.802597 1.536322 2.405142 ESP Fit Center 3402 is at 2.219353 1.536322 2.405142 ESP Fit Center 3403 is at 2.831823 1.897243 2.296866 ESP Fit Center 3404 is at 2.721850 2.307667 2.296866 ESP Fit Center 3405 is at 2.010975 2.718091 2.296866 ESP Fit Center 3406 is at 1.600551 2.608118 2.296866 ESP Fit Center 3407 is at 1.300099 1.486818 2.296866 ESP Fit Center 3408 is at 1.600551 1.186367 2.296866 ESP Fit Center 3409 is at 2.010975 1.076394 2.296866 ESP Fit Center 3410 is at 2.421399 1.186367 2.296866 ESP Fit Center 3411 is at 2.721850 1.486818 2.296866 ESP Fit Center 3412 is at 3.210975 1.897243 2.120065 ESP Fit Center 3413 is at 1.091721 1.125897 2.120065 ESP Fit Center 3414 is at 1.410975 0.858012 2.120065 ESP Fit Center 3415 is at 1.802597 0.715473 2.120065 ESP Fit Center 3416 is at 2.610975 0.858012 2.120065 ESP Fit Center 3417 is at 2.930228 1.125897 2.120065 ESP Fit Center 3418 is at 3.138606 1.486818 2.120065 ESP Fit Center 3419 is at 3.329079 1.095685 1.880110 ESP Fit Center 3420 is at 3.496458 1.481030 1.880110 ESP Fit Center 3421 is at 0.738736 3.540839 -1.158396 ESP Fit Center 3422 is at 0.433926 3.251095 -1.158396 ESP Fit Center 3423 is at 0.193679 2.905924 -1.158396 ESP Fit Center 3424 is at 1.091721 3.489436 -1.501087 ESP Fit Center 3425 is at 0.749315 3.234524 -1.501087 ESP Fit Center 3426 is at 0.474925 2.907518 -1.501087 ESP Fit Center 3427 is at 0.283344 2.526049 -1.501087 ESP Fit Center 3428 is at 1.121336 3.157574 -1.796903 ESP Fit Center 3429 is at 0.814293 2.870816 -1.796903 ESP Fit Center 3430 is at 0.596002 2.511852 -1.796903 ESP Fit Center 3431 is at 0.482653 2.107306 -1.796903 ESP Fit Center 3432 is at 1.410975 2.936473 -2.036857 ESP Fit Center 3433 is at 1.091721 2.668588 -2.036857 ESP Fit Center 3434 is at 0.883344 2.307667 -2.036857 ESP Fit Center 3435 is at 0.810975 1.897243 -2.036857 ESP Fit Center 3436 is at 1.600551 2.608118 -2.213659 ESP Fit Center 3437 is at 1.300099 2.307667 -2.213659 ESP Fit Center 3438 is at 1.190126 1.897243 -2.213659 ESP Fit Center 3439 is at 2.427730 1.897243 -2.321935 ESP Fit Center 3440 is at 2.219353 2.258164 -2.321935 ESP Fit Center 3441 is at 1.802597 2.258164 -2.321935 ESP Fit Center 3442 is at 1.594219 1.897243 -2.321935 ESP Fit Center 3443 is at 2.010975 1.897243 -2.358396 ESP Fit Center 3444 is at -2.180212 -4.872569 2.111374 ESP Fit Center 3445 is at -1.752971 -4.872569 2.111374 ESP Fit Center 3446 is at -2.688040 -4.919097 1.969372 ESP Fit Center 3447 is at -2.383120 -5.224017 1.969372 ESP Fit Center 3448 is at -1.966592 -5.335625 1.969372 ESP Fit Center 3449 is at -1.550063 -5.224017 1.969372 ESP Fit Center 3450 is at -3.163692 -4.502569 1.740628 ESP Fit Center 3451 is at -3.091498 -4.912001 1.740628 ESP Fit Center 3452 is at -2.883624 -5.272050 1.740628 ESP Fit Center 3453 is at -2.565142 -5.539288 1.740628 ESP Fit Center 3454 is at -2.174466 -5.681482 1.740628 ESP Fit Center 3455 is at -1.758717 -5.681482 1.740628 ESP Fit Center 3456 is at -1.368041 -5.539288 1.740628 ESP Fit Center 3457 is at -1.049559 -5.272050 1.740628 ESP Fit Center 3458 is at -3.467708 -4.502569 1.436612 ESP Fit Center 3459 is at -3.406902 -4.925482 1.436612 ESP Fit Center 3460 is at -3.229411 -5.314133 1.436612 ESP Fit Center 3461 is at -2.949614 -5.637037 1.436612 ESP Fit Center 3462 is at -2.590178 -5.868032 1.436612 ESP Fit Center 3463 is at -2.180223 -5.988406 1.436612 ESP Fit Center 3464 is at -1.752960 -5.988406 1.436612 ESP Fit Center 3465 is at -1.343005 -5.868032 1.436612 ESP Fit Center 3466 is at -0.983569 -5.637037 1.436612 ESP Fit Center 3467 is at -0.703772 -5.314133 1.436612 ESP Fit Center 3468 is at -3.696452 -4.502569 1.072569 ESP Fit Center 3469 is at -3.646185 -4.916551 1.072569 ESP Fit Center 3470 is at -3.498307 -5.306475 1.072569 ESP Fit Center 3471 is at -3.261410 -5.649678 1.072569 ESP Fit Center 3472 is at -2.949264 -5.926216 1.072569 ESP Fit Center 3473 is at -2.580008 -6.120016 1.072569 ESP Fit Center 3474 is at -2.175103 -6.219816 1.072569 ESP Fit Center 3475 is at -1.758080 -6.219816 1.072569 ESP Fit Center 3476 is at -1.353175 -6.120016 1.072569 ESP Fit Center 3477 is at -0.983919 -5.926216 1.072569 ESP Fit Center 3478 is at -0.671773 -5.649678 1.072569 ESP Fit Center 3479 is at -3.791522 -4.919097 0.666752 ESP Fit Center 3480 is at -3.653081 -5.314739 0.666752 ESP Fit Center 3481 is at -3.430072 -5.669655 0.666752 ESP Fit Center 3482 is at -3.133678 -5.966049 0.666752 ESP Fit Center 3483 is at -2.778762 -6.189058 0.666752 ESP Fit Center 3484 is at -2.383120 -6.327499 0.666752 ESP Fit Center 3485 is at -1.966592 -6.374430 0.666752 ESP Fit Center 3486 is at -1.550063 -6.327499 0.666752 ESP Fit Center 3487 is at -1.154421 -6.189058 0.666752 ESP Fit Center 3488 is at -0.799505 -5.966049 0.666752 ESP Fit Center 3489 is at -0.503111 -5.669655 0.666752 ESP Fit Center 3490 is at -3.875336 -4.710157 0.239512 ESP Fit Center 3491 is at -3.786086 -5.115627 0.239512 ESP Fit Center 3492 is at -3.611757 -5.492432 0.239512 ESP Fit Center 3493 is at -3.360503 -5.822951 0.239512 ESP Fit Center 3494 is at -3.044071 -6.091731 0.239512 ESP Fit Center 3495 is at -2.677257 -6.286204 0.239512 ESP Fit Center 3496 is at -2.277213 -6.397275 0.239512 ESP Fit Center 3497 is at -1.862645 -6.419753 0.239512 ESP Fit Center 3498 is at -1.452937 -6.352585 0.239512 ESP Fit Center 3499 is at -1.067247 -6.198912 0.239512 ESP Fit Center 3500 is at -0.723610 -5.965920 0.239512 ESP Fit Center 3501 is at -3.791522 -4.919097 -0.187728 ESP Fit Center 3502 is at -3.653081 -5.314739 -0.187728 ESP Fit Center 3503 is at -3.430072 -5.669655 -0.187728 ESP Fit Center 3504 is at -3.133678 -5.966049 -0.187728 ESP Fit Center 3505 is at -2.778762 -6.189058 -0.187728 ESP Fit Center 3506 is at -2.383120 -6.327499 -0.187728 ESP Fit Center 3507 is at -1.966592 -6.374430 -0.187728 ESP Fit Center 3508 is at -1.550063 -6.327499 -0.187728 ESP Fit Center 3509 is at -1.154421 -6.189058 -0.187728 ESP Fit Center 3510 is at -0.799505 -5.966049 -0.187728 ESP Fit Center 3511 is at -3.646185 -4.916551 -0.593545 ESP Fit Center 3512 is at -3.498307 -5.306475 -0.593545 ESP Fit Center 3513 is at -3.261410 -5.649678 -0.593545 ESP Fit Center 3514 is at -2.949264 -5.926216 -0.593545 ESP Fit Center 3515 is at -2.580008 -6.120016 -0.593545 ESP Fit Center 3516 is at -2.175103 -6.219816 -0.593545 ESP Fit Center 3517 is at -1.758080 -6.219816 -0.593545 ESP Fit Center 3518 is at -1.353175 -6.120016 -0.593545 ESP Fit Center 3519 is at -0.983919 -5.926216 -0.593545 ESP Fit Center 3520 is at -0.671773 -5.649678 -0.593545 ESP Fit Center 3521 is at -3.406902 -4.925482 -0.957588 ESP Fit Center 3522 is at -3.229411 -5.314133 -0.957588 ESP Fit Center 3523 is at -2.949614 -5.637037 -0.957588 ESP Fit Center 3524 is at -2.590178 -5.868032 -0.957588 ESP Fit Center 3525 is at -2.180223 -5.988406 -0.957588 ESP Fit Center 3526 is at -1.752960 -5.988406 -0.957588 ESP Fit Center 3527 is at -1.343005 -5.868032 -0.957588 ESP Fit Center 3528 is at -0.983569 -5.637037 -0.957588 ESP Fit Center 3529 is at -3.091498 -4.912001 -1.261604 ESP Fit Center 3530 is at -2.883624 -5.272050 -1.261604 ESP Fit Center 3531 is at -2.565142 -5.539288 -1.261604 ESP Fit Center 3532 is at -2.174466 -5.681482 -1.261604 ESP Fit Center 3533 is at -1.758717 -5.681482 -1.261604 ESP Fit Center 3534 is at -1.368041 -5.539288 -1.261604 ESP Fit Center 3535 is at -2.688040 -4.919097 -1.490348 ESP Fit Center 3536 is at -2.383120 -5.224017 -1.490348 ESP Fit Center 3537 is at -1.966592 -5.335625 -1.490348 ESP Fit Center 3538 is at -3.115630 0.799379 2.623043 ESP Fit Center 3539 is at -2.698875 0.799379 2.586581 ESP Fit Center 3540 is at -2.907252 1.160300 2.586581 ESP Fit Center 3541 is at -3.324008 1.160300 2.586581 ESP Fit Center 3542 is at -3.532386 0.799379 2.586581 ESP Fit Center 3543 is at -3.324008 0.438458 2.586581 ESP Fit Center 3544 is at -2.907252 0.438458 2.586581 ESP Fit Center 3545 is at -3.115630 1.620227 2.478305 ESP Fit Center 3546 is at -3.526054 1.510255 2.478305 ESP Fit Center 3547 is at -3.826506 1.209803 2.478305 ESP Fit Center 3548 is at -3.936479 0.799379 2.478305 ESP Fit Center 3549 is at -3.826506 0.388955 2.478305 ESP Fit Center 3550 is at -3.526054 0.088504 2.478305 ESP Fit Center 3551 is at -3.115630 -0.021469 2.478305 ESP Fit Center 3552 is at -2.705206 0.088504 2.478305 ESP Fit Center 3553 is at -4.243261 0.388955 2.301504 ESP Fit Center 3554 is at -4.034884 0.028034 2.301504 ESP Fit Center 3555 is at -3.715630 -0.239851 2.301504 ESP Fit Center 3556 is at -3.324008 -0.382390 2.301504 ESP Fit Center 3557 is at -2.907252 -0.382390 2.301504 ESP Fit Center 3558 is at -2.515630 -0.239851 2.301504 ESP Fit Center 3559 is at -2.196377 0.028034 2.301504 ESP Fit Center 3560 is 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ESP Fit Center 3597 is at -2.017620 -0.035048 2.225085 ESP Fit Center 3598 is at -1.626944 0.107147 2.225085 ESP Fit Center 3599 is at -1.308462 0.374385 2.225085 ESP Fit Center 3600 is at -1.100588 0.734433 2.225085 ESP Fit Center 3601 is at -0.785184 1.566779 1.921069 ESP Fit Center 3602 is at -0.962675 1.955431 1.921069 ESP Fit Center 3603 is at -1.242472 2.278334 1.921069 ESP Fit Center 3604 is at -0.693779 1.947772 1.557025 ESP Fit Center 3605 is at -0.930675 2.290975 1.557025 ESP Fit Center 3606 is at -0.762014 2.310953 1.151209 ESP Fit Center 3607 is at -1.058408 2.607346 1.151209 ESP Fit Center 3608 is at -0.982513 2.607217 0.723969 ESP Fit Center 3609 is at -1.058408 2.607346 0.296728 ESP Fit Center 3610 is at -1.242822 2.567513 -0.109088 ESP Fit Center 3611 is at -4.078168 1.732827 2.515971 ESP Fit Center 3612 is at -3.661413 1.732827 2.479510 ESP Fit Center 3613 is at -4.494924 1.732827 2.479510 ESP Fit Center 3614 is at -4.286546 1.371906 2.479510 ESP Fit Center 3615 is at 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Center 3652 is at -7.432602 0.425881 -1.018881 ESP Fit Center 3653 is at -5.624084 3.683689 -1.422974 ESP Fit Center 3654 is at -6.040751 3.582607 -1.422974 ESP Fit Center 3655 is at -6.430758 3.404497 -1.422974 ESP Fit Center 3656 is at -7.548177 1.665759 -1.422974 ESP Fit Center 3657 is at -7.548177 1.237006 -1.422974 ESP Fit Center 3658 is at -7.467036 0.816002 -1.422974 ESP Fit Center 3659 is at -7.307684 0.417961 -1.422974 ESP Fit Center 3660 is at -6.880176 2.805235 -1.802126 ESP Fit Center 3661 is at -7.120422 2.460064 -1.802126 ESP Fit Center 3662 is at -7.286268 2.073597 -1.802126 ESP Fit Center 3663 is at -7.370924 1.661657 -1.802126 ESP Fit Center 3664 is at -7.370924 1.241108 -1.802126 ESP Fit Center 3665 is at -7.286268 0.829168 -1.802126 ESP Fit Center 3666 is at -7.120422 0.442701 -1.802126 ESP Fit Center 3667 is at -7.129203 1.664820 -2.144816 ESP Fit Center 3668 is at -7.129203 1.237945 -2.144816 ESP Fit Center 3669 is at -7.030758 0.822576 -2.144816 ESP Fit Center 3670 is at -6.839177 0.441106 -2.144816 ESP Fit Center 3671 is at -6.564787 0.114101 -2.144816 ESP Fit Center 3672 is at -3.514178 1.027393 -2.144816 ESP Fit Center 3673 is at -6.718100 0.836773 -2.440632 ESP Fit Center 3674 is at -6.499809 0.477809 -2.440632 ESP Fit Center 3675 is at -6.192766 0.191051 -2.440632 ESP Fit Center 3676 is at -5.819743 -0.002234 -2.440632 ESP Fit Center 3677 is at -5.408404 -0.087712 -2.440632 ESP Fit Center 3678 is at -4.989258 -0.059041 -2.440632 ESP Fit Center 3679 is at -4.593389 0.081650 -2.440632 ESP Fit Center 3680 is at -3.802732 3.114376 2.827876 ESP Fit Center 3681 is at -3.594354 3.475297 2.791414 ESP Fit Center 3682 is at -4.011110 2.753455 2.791414 ESP Fit Center 3683 is at -3.594354 2.753455 2.791414 ESP Fit Center 3684 is at -4.213156 2.403500 2.683138 ESP Fit Center 3685 is at -3.802732 2.293527 2.683138 ESP Fit Center 3686 is at -3.392308 2.403500 2.683138 ESP Fit Center 3687 is at -3.594354 4.296145 2.506337 ESP Fit Center 3688 is at 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ESP Fit Center 3707 is at -4.623580 5.369638 0.427876 ESP Fit Center 3708 is at -2.022819 4.669439 0.011120 ESP Fit Center 3709 is at -4.731662 5.287715 0.011120 ESP Fit Center 3710 is at -1.547470 3.114376 -0.392973 ESP Fit Center 3711 is at -1.588225 3.541187 -0.392973 ESP Fit Center 3712 is at -1.709019 3.952572 -0.392973 ESP Fit Center 3713 is at -5.279615 4.818789 -0.392973 ESP Fit Center 3714 is at -5.575488 4.508486 -0.392973 ESP Fit Center 3715 is at -5.807289 4.147797 -0.392973 ESP Fit Center 3716 is at -1.588225 2.687565 -0.392973 ESP Fit Center 3717 is at -1.724271 3.114376 -0.772124 ESP Fit Center 3718 is at -1.766817 3.532767 -0.772124 ESP Fit Center 3719 is at -5.620027 4.123057 -0.772124 ESP Fit Center 3720 is at -1.766817 2.695985 -0.772124 ESP Fit Center 3721 is at -1.964225 3.114376 -1.114815 ESP Fit Center 3722 is at -2.013783 2.690387 -1.114815 ESP Fit Center 3723 is at -2.317249 2.698163 -1.410631 ESP Fit Center 3724 is at -6.118159 1.999269 1.777053 ESP Fit Center 3725 is at -6.331779 2.369270 1.728915 ESP Fit Center 3726 is at -6.545399 1.999269 1.728915 ESP Fit Center 3727 is at -6.331779 1.629268 1.728915 ESP Fit Center 3728 is at -5.904539 1.629268 1.728915 ESP Fit Center 3729 is at -6.534688 2.720717 1.586913 ESP Fit Center 3730 is at -6.839607 2.415797 1.586913 ESP Fit Center 3731 is at -6.951216 1.999269 1.586913 ESP Fit Center 3732 is at -6.839607 1.582740 1.586913 ESP Fit Center 3733 is at -6.534688 1.277820 1.586913 ESP Fit Center 3734 is at -6.716709 3.035988 1.358170 ESP Fit Center 3735 is at -7.035191 2.768750 1.358170 ESP Fit Center 3736 is at -7.243066 2.408701 1.358170 ESP Fit Center 3737 is at -7.315260 1.999269 1.358170 ESP Fit Center 3738 is at -7.243066 1.589836 1.358170 ESP Fit Center 3739 is at -7.035191 1.229787 1.358170 ESP Fit Center 3740 is at -6.716709 0.962549 1.358170 ESP Fit Center 3741 is at -6.741745 3.364732 1.054154 ESP Fit Center 3742 is at -7.101181 3.133737 1.054154 ESP Fit Center 3743 is at -7.380979 2.810834 1.054154 ESP Fit Center 3744 is at -7.558470 2.422182 1.054154 ESP Fit Center 3745 is at -7.619276 1.999269 1.054154 ESP Fit Center 3746 is at -7.558470 1.576355 1.054154 ESP Fit Center 3747 is at -7.380979 1.187704 1.054154 ESP Fit Center 3748 is at -7.101181 0.864801 1.054154 ESP Fit Center 3749 is at -6.731576 3.616716 0.690110 ESP Fit Center 3750 is at -7.100832 3.422916 0.690110 ESP Fit Center 3751 is at -7.412978 3.146378 0.690110 ESP Fit Center 3752 is at -7.649874 2.803175 0.690110 ESP Fit Center 3753 is at -7.797753 2.413251 0.690110 ESP Fit Center 3754 is at -7.848019 1.999269 0.690110 ESP Fit Center 3755 is at -7.797753 1.585286 0.690110 ESP Fit Center 3756 is at -7.649874 1.195363 0.690110 ESP Fit Center 3757 is at -7.412978 0.852159 0.690110 ESP Fit Center 3758 is at -6.534688 3.824199 0.284293 ESP Fit Center 3759 is at -6.930329 3.685758 0.284293 ESP Fit Center 3760 is at -7.285246 3.462749 0.284293 ESP Fit Center 3761 is at -7.581639 3.166355 0.284293 ESP Fit Center 3762 is at -7.804648 2.811439 0.284293 ESP Fit Center 3763 is at -7.943089 2.415797 0.284293 ESP Fit Center 3764 is at -7.990021 1.999269 0.284293 ESP Fit Center 3765 is at -7.943089 1.582740 0.284293 ESP Fit Center 3766 is at -7.804648 1.187098 0.284293 ESP Fit Center 3767 is at -7.581639 0.832182 0.284293 ESP Fit Center 3768 is at -6.428781 3.893976 -0.142947 ESP Fit Center 3769 is at -6.828824 3.782904 -0.142947 ESP Fit Center 3770 is at -7.195638 3.588432 -0.142947 ESP Fit Center 3771 is at -7.512070 3.319652 -0.142947 ESP Fit Center 3772 is at -7.763325 2.989132 -0.142947 ESP Fit Center 3773 is at -7.937653 2.612328 -0.142947 ESP Fit Center 3774 is at -8.026904 2.206857 -0.142947 ESP Fit Center 3775 is at -8.026904 1.791680 -0.142947 ESP Fit Center 3776 is at -7.937653 1.386210 -0.142947 ESP Fit Center 3777 is at -7.763325 1.009405 -0.142947 ESP Fit Center 3778 is at -6.118159 3.871130 -0.570187 ESP Fit Center 3779 is at -6.534688 3.824199 -0.570187 ESP Fit Center 3780 is 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Center 3998 is at -4.820136 5.251694 1.848928 ESP Fit Center 3999 is at -5.225041 5.151893 1.848928 ESP Fit Center 4000 is at -5.594297 4.958093 1.848928 ESP Fit Center 4001 is at -5.906444 4.681556 1.848928 ESP Fit Center 4002 is at -6.143340 4.338352 1.848928 ESP Fit Center 4003 is at -6.291218 3.948429 1.848928 ESP Fit Center 4004 is at -6.341485 3.534446 1.848928 ESP Fit Center 4005 is at -6.291218 3.120463 1.848928 ESP Fit Center 4006 is at -6.143340 2.730540 1.848928 ESP Fit Center 4007 is at -5.906444 2.387337 1.848928 ESP Fit Center 4008 is at -4.195096 5.359376 1.443111 ESP Fit Center 4009 is at -4.611625 5.406308 1.443111 ESP Fit Center 4010 is at -5.028153 5.359376 1.443111 ESP Fit Center 4011 is at -5.423795 5.220935 1.443111 ESP Fit Center 4012 is at -5.778711 4.997926 1.443111 ESP Fit Center 4013 is at -6.075105 4.701533 1.443111 ESP Fit Center 4014 is at -6.298114 4.346616 1.443111 ESP Fit Center 4015 is at -6.436555 3.950974 1.443111 ESP Fit Center 4016 is at -6.483486 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Center 4035 is at -5.906444 4.681556 0.182814 ESP Fit Center 4036 is at -6.143340 4.338352 0.182814 ESP Fit Center 4037 is at -6.291218 3.948429 0.182814 ESP Fit Center 4038 is at -5.594647 4.668914 -0.181229 ESP Fit Center 4039 is at -5.874444 4.346011 -0.181229 ESP Fit Center 4040 is at -6.051935 3.957359 -0.181229 ESP Fit Center 4041 is at -2.227126 4.880666 -0.045801 ESP Fit Center 4042 is at -2.523520 5.177060 -0.045801 ESP Fit Center 4043 is at -2.878436 5.400069 -0.045801 ESP Fit Center 4044 is at -3.274078 5.538510 -0.045801 ESP Fit Center 4045 is at -3.690606 5.585441 -0.045801 ESP Fit Center 4046 is at -4.107135 5.538510 -0.045801 ESP Fit Center 4047 is at -4.502777 5.400069 -0.045801 ESP Fit Center 4048 is at -1.815495 4.126323 -0.473041 ESP Fit Center 4049 is at -1.948061 4.519767 -0.473041 ESP Fit Center 4050 is at -2.162108 4.875514 -0.473041 ESP Fit Center 4051 is at -2.447625 5.176931 -0.473041 ESP Fit Center 4052 is at -2.791262 5.409923 -0.473041 ESP Fit Center 4053 is at -3.176952 5.563596 -0.473041 ESP Fit Center 4054 is at -3.586660 5.630764 -0.473041 ESP Fit Center 4055 is at -4.001228 5.608287 -0.473041 ESP Fit Center 4056 is at -4.401271 5.497215 -0.473041 ESP Fit Center 4057 is at -4.768085 5.302743 -0.473041 ESP Fit Center 4058 is at -5.084518 5.033963 -0.473041 ESP Fit Center 4059 is at -1.818745 3.713580 -0.900282 ESP Fit Center 4060 is at -1.865676 4.130108 -0.900282 ESP Fit Center 4061 is at -2.004117 4.525750 -0.900282 ESP Fit Center 4062 is at -2.227126 4.880666 -0.900282 ESP Fit Center 4063 is at -2.523520 5.177060 -0.900282 ESP Fit Center 4064 is at -2.878436 5.400069 -0.900282 ESP Fit Center 4065 is at -3.274078 5.538510 -0.900282 ESP Fit Center 4066 is at -3.690606 5.585441 -0.900282 ESP Fit Center 4067 is at -4.107135 5.538510 -0.900282 ESP Fit Center 4068 is at -4.502777 5.400069 -0.900282 ESP Fit Center 4069 is at -4.857693 5.177060 -0.900282 ESP Fit Center 4070 is at -5.154087 4.880666 -0.900282 ESP Fit Center 4071 is at 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4.848048 -1.670142 ESP Fit Center 4090 is at -3.067020 5.079043 -1.670142 ESP Fit Center 4091 is at -3.476975 5.199417 -1.670142 ESP Fit Center 4092 is at -3.904237 5.199417 -1.670142 ESP Fit Center 4093 is at -4.314193 5.079043 -1.670142 ESP Fit Center 4094 is at -4.673628 4.848048 -1.670142 ESP Fit Center 4095 is at -4.953426 4.525145 -1.670142 ESP Fit Center 4096 is at -5.130917 4.136493 -1.670142 ESP Fit Center 4097 is at -5.191723 3.713580 -1.670142 ESP Fit Center 4098 is at -2.707584 2.579112 -1.670142 ESP Fit Center 4099 is at -2.427787 2.902015 -1.670142 ESP Fit Center 4100 is at -2.250296 3.290666 -1.670142 ESP Fit Center 4101 is at -2.493506 3.713580 -1.974158 ESP Fit Center 4102 is at -2.565700 4.123012 -1.974158 ESP Fit Center 4103 is at -2.773574 4.483061 -1.974158 ESP Fit Center 4104 is at -3.092056 4.750299 -1.974158 ESP Fit Center 4105 is at -3.482732 4.892493 -1.974158 ESP Fit Center 4106 is at -3.898481 4.892493 -1.974158 ESP Fit Center 4107 is at -4.289156 4.750299 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ESP Fit Center 4126 is at -3.904226 4.083581 -2.344903 ESP Fit Center 4127 is at -4.117846 3.713580 -2.344903 ESP Fit Center 4128 is at -3.904226 3.343579 -2.344903 ESP Fit Center 4129 is at -3.476986 3.343579 -2.344903 ESP Fit Center 4130 is at -3.690606 3.713580 -2.393041 ESP Fit Center 4131 is at -2.890184 3.191389 2.923913 ESP Fit Center 4132 is at -2.462944 3.191389 2.875774 ESP Fit Center 4133 is at -2.676564 3.561390 2.875774 ESP Fit Center 4134 is at -3.103804 3.561390 2.875774 ESP Fit Center 4135 is at -3.317424 3.191389 2.875774 ESP Fit Center 4136 is at -3.103804 2.821388 2.875774 ESP Fit Center 4137 is at -2.676564 2.821388 2.875774 ESP Fit Center 4138 is at -2.057128 3.191389 2.733773 ESP Fit Center 4139 is at -2.168736 3.607917 2.733773 ESP Fit Center 4140 is at -2.473656 3.912837 2.733773 ESP Fit Center 4141 is at -2.890184 4.024445 2.733773 ESP Fit Center 4142 is at -3.306713 3.912837 2.733773 ESP Fit Center 4143 is at -3.306713 2.469940 2.733773 ESP Fit Center 4144 is at -2.890184 2.358332 2.733773 ESP Fit Center 4145 is at -2.473656 2.469940 2.733773 ESP Fit Center 4146 is at -2.168736 2.774860 2.733773 ESP Fit Center 4147 is at -1.693084 3.191389 2.505029 ESP Fit Center 4148 is at -1.765278 3.600821 2.505029 ESP Fit Center 4149 is at -1.973152 3.960870 2.505029 ESP Fit Center 4150 is at -2.291634 4.228108 2.505029 ESP Fit Center 4151 is at -2.682310 4.370302 2.505029 ESP Fit Center 4152 is at -3.098059 4.370302 2.505029 ESP Fit Center 4153 is at -3.098059 2.012475 2.505029 ESP Fit Center 4154 is at -2.682310 2.012475 2.505029 ESP Fit Center 4155 is at -2.291634 2.154669 2.505029 ESP Fit Center 4156 is at -1.973152 2.421907 2.505029 ESP Fit Center 4157 is at -1.765278 2.781956 2.505029 ESP Fit Center 4158 is at -1.389068 3.191389 2.201013 ESP Fit Center 4159 is at -1.449874 3.614302 2.201013 ESP Fit Center 4160 is at -1.627365 4.002954 2.201013 ESP Fit Center 4161 is at -1.907162 4.325857 2.201013 ESP Fit Center 4162 is at -2.266598 4.556852 2.201013 ESP Fit Center 4163 is at -2.676553 4.677226 2.201013 ESP Fit Center 4164 is at -3.103815 4.677226 2.201013 ESP Fit Center 4165 is at -1.627365 2.379824 2.201013 ESP Fit Center 4166 is at -1.449874 2.768475 2.201013 ESP Fit Center 4167 is at -1.160324 3.191389 1.836970 ESP Fit Center 4168 is at -1.210591 3.605371 1.836970 ESP Fit Center 4169 is at -1.358469 3.995295 1.836970 ESP Fit Center 4170 is at -1.595365 4.338498 1.836970 ESP Fit Center 4171 is at -1.907512 4.615036 1.836970 ESP Fit Center 4172 is at -2.276767 4.808836 1.836970 ESP Fit Center 4173 is at -2.681673 4.908636 1.836970 ESP Fit Center 4174 is at -1.210591 2.777406 1.836970 ESP Fit Center 4175 is at -1.018323 3.191389 1.431153 ESP Fit Center 4176 is at -1.065254 3.607917 1.431153 ESP Fit Center 4177 is at -1.203695 4.003559 1.431153 ESP Fit Center 4178 is at -1.426704 4.358475 1.431153 ESP Fit Center 4179 is at -1.723098 4.654869 1.431153 ESP Fit Center 4180 is at -2.078014 4.877878 1.431153 ESP Fit Center 4181 is at -2.473656 5.016319 1.431153 ESP Fit Center 4182 is at -1.065254 2.774860 1.431153 ESP Fit Center 4183 is at -0.970184 3.191389 1.003913 ESP Fit Center 4184 is at -1.015073 3.604132 1.003913 ESP Fit Center 4185 is at -1.147639 3.997576 1.003913 ESP Fit Center 4186 is at -1.361686 4.353323 1.003913 ESP Fit Center 4187 is at -1.647203 4.654740 1.003913 ESP Fit Center 4188 is at -1.990840 4.887732 1.003913 ESP Fit Center 4189 is at -2.376530 5.041405 1.003913 ESP Fit Center 4190 is at -1.015073 2.778645 1.003913 ESP Fit Center 4191 is at -1.018323 3.191389 0.576673 ESP Fit Center 4192 is at -1.065254 3.607917 0.576673 ESP Fit Center 4193 is at -1.203695 4.003559 0.576673 ESP Fit Center 4194 is at -1.426704 4.358475 0.576673 ESP Fit Center 4195 is at -1.723098 4.654869 0.576673 ESP Fit Center 4196 is at -2.078014 4.877878 0.576673 ESP Fit Center 4197 is at -1.065254 2.774860 0.576673 ESP Fit Center 4198 is at -1.160324 3.191389 0.170856 ESP Fit Center 4199 is at -1.210591 3.605371 0.170856 ESP Fit Center 4200 is at -1.358469 3.995295 0.170856 ESP Fit Center 4201 is at -1.595365 4.338498 0.170856 ESP Fit Center 4202 is at -1.907512 4.615036 0.170856 ESP Fit Center 4203 is at -1.210591 2.777406 0.170856 ESP Fit Center 4204 is at -1.389068 3.191389 -0.193188 ESP Fit Center 4205 is at -1.449874 3.614302 -0.193188 ESP Fit Center 4206 is at -1.627365 4.002954 -0.193188 ESP Fit Center 4207 is at -1.449874 2.768475 -0.193188 ESP Fit Center 4208 is at 2.744793 2.474905 2.257864 ESP Fit Center 4209 is at 3.161548 2.474905 2.257864 ESP Fit Center 4210 is at 3.363595 2.124950 2.149588 ESP Fit Center 4211 is at 3.664046 2.425402 2.149588 ESP Fit Center 4212 is at 3.553171 1.796595 1.972786 ESP Fit Center 4213 is at 3.872424 2.064481 1.972786 ESP Fit Center 4214 is at 4.080802 2.425402 1.972786 ESP Fit Center 4215 is at 3.662908 1.466094 1.732832 ESP Fit Center 4216 is at 1.135875 3.844507 -1.305675 ESP Fit Center 4217 is at 1.691511 4.173107 -1.648365 ESP Fit Center 4218 is at 1.417121 3.846102 -1.648365 ESP Fit Center 4219 is at 1.225539 3.464632 -1.648365 ESP Fit Center 4220 is at 2.436555 4.289443 -1.944181 ESP Fit Center 4221 is at 2.063531 4.096157 -1.944181 ESP Fit Center 4222 is at 1.756488 3.809399 -1.944181 ESP Fit Center 4223 is at 1.538198 3.450435 -1.944181 ESP Fit Center 4224 is at 3.161548 4.017595 -2.184136 ESP Fit Center 4225 is at 2.744793 4.017595 -2.184136 ESP Fit Center 4226 is at 2.353171 3.875056 -2.184136 ESP Fit Center 4227 is at 2.033917 3.607171 -2.184136 ESP Fit Center 4228 is at 1.825539 3.246250 -2.184136 ESP Fit Center 4229 is at 1.753171 2.835826 -2.184136 ESP Fit Center 4230 is at 2.953171 3.656674 -2.360937 ESP Fit Center 4231 is at 2.542746 3.546701 -2.360937 ESP Fit Center 4232 is at 2.242295 3.246250 -2.360937 ESP Fit Center 4233 is at 2.132322 2.835826 -2.360937 ESP Fit Center 4234 is at 2.242295 2.425402 -2.360937 ESP Fit Center 4235 is at 2.542746 2.124950 -2.360937 ESP Fit Center 4236 is at 2.744793 3.196747 -2.469213 ESP Fit Center 4237 is at 2.536415 2.835826 -2.469213 ESP Fit Center 4238 is at 2.744793 2.474905 -2.469213 ESP Fit Center 4239 is at 1.070319 2.255115 2.350245 ESP Fit Center 4240 is at 1.283939 2.625116 2.302106 ESP Fit Center 4241 is at 0.856699 2.625116 2.302106 ESP Fit Center 4242 is at 0.643079 2.255115 2.302106 ESP Fit Center 4243 is at 0.856699 1.885115 2.302106 ESP Fit Center 4244 is at 1.486847 2.976564 2.160105 ESP Fit Center 4245 is at 1.070319 3.088172 2.160105 ESP Fit Center 4246 is at 0.653791 2.976564 2.160105 ESP Fit Center 4247 is at 0.348871 2.671644 2.160105 ESP Fit Center 4248 is at 0.237262 2.255115 2.160105 ESP Fit Center 4249 is at 0.348871 1.838587 2.160105 ESP Fit Center 4250 is at 0.653791 1.533667 2.160105 ESP Fit Center 4251 is at 0.471769 3.291835 1.931361 ESP Fit Center 4252 is at 0.153287 3.024597 1.931361 ESP Fit Center 4253 is at -0.054587 2.664548 1.931361 ESP Fit Center 4254 is at -0.126781 2.255115 1.931361 ESP Fit Center 4255 is at -0.054587 1.845683 1.931361 ESP Fit Center 4256 is at 0.153287 1.485634 1.931361 ESP Fit Center 4257 is at 0.471769 1.218396 1.931361 ESP Fit Center 4258 is at 0.087297 3.389584 1.627345 ESP Fit Center 4259 is at -0.192500 3.066680 1.627345 ESP Fit Center 4260 is at -0.369992 2.678029 1.627345 ESP Fit Center 4261 is at -0.430797 2.255115 1.627345 ESP Fit Center 4262 is at -0.369992 1.832202 1.627345 ESP Fit Center 4263 is at -0.224500 3.402225 1.263302 ESP Fit Center 4264 is at -0.461396 3.059022 1.263302 ESP Fit Center 4265 is at -0.609275 2.669098 1.263302 ESP Fit Center 4266 is at -0.659541 2.255115 1.263302 ESP Fit Center 4267 is at -0.096768 3.718596 0.857485 ESP Fit Center 4268 is at -0.393161 3.422202 0.857485 ESP Fit Center 4269 is at -0.616170 3.067286 0.857485 ESP Fit Center 4270 is at -0.754611 2.671644 0.857485 ESP Fit Center 4271 is at -0.323592 3.575498 0.430245 ESP Fit Center 4272 is at -0.574847 3.244979 0.430245 ESP Fit Center 4273 is at -0.749175 2.868174 0.430245 ESP Fit Center 4274 is at -0.838426 2.462704 0.430245 ESP Fit Center 4275 is at -0.096768 3.718596 0.003005 ESP Fit Center 4276 is at -0.393161 3.422202 0.003005 ESP Fit Center 4277 is at -0.616170 3.067286 0.003005 ESP Fit Center 4278 is at -0.754611 2.671644 0.003005 ESP Fit Center 4279 is at 0.087646 3.678763 -0.402812 ESP Fit Center 4280 is at -0.224500 3.402225 -0.402812 ESP Fit Center 4281 is at -0.461396 3.059022 -0.402812 ESP Fit Center 4282 is at -0.609275 2.669098 -0.402812 ESP Fit Center 4283 is at 0.446733 3.620579 -0.766856 ESP Fit Center 4284 is at 0.087297 3.389584 -0.766856 ESP Fit Center 4285 is at -0.192500 3.066680 -0.766856 ESP Fit Center 4286 is at -0.369992 2.678029 -0.766856 ESP Fit Center 4287 is at 0.153287 3.024597 -1.070872 ESP Fit Center 4288 is at -0.054587 2.664548 -1.070872 ESP Fit Center 4289 is at 1.974562 4.140538 2.752951 ESP Fit Center 4290 is at 2.084535 3.730114 2.752951 ESP Fit Center 4291 is at 2.195410 5.179769 2.576149 ESP Fit Center 4292 is at 1.876157 3.369193 2.576149 ESP Fit Center 4293 is at 2.195410 3.101308 2.576149 ESP Fit Center 4294 is at 2.587032 2.958769 2.576149 ESP Fit Center 4295 is at 2.278795 5.594155 2.336195 ESP Fit Center 4296 is at 1.905771 5.400870 2.336195 ESP Fit Center 4297 is at 1.598728 3.166965 2.336195 ESP Fit Center 4298 is at 1.905771 2.880207 2.336195 ESP Fit Center 4299 is at 2.278795 2.686922 2.336195 ESP Fit Center 4300 is at 2.690133 2.601445 2.336195 ESP Fit Center 4301 is at 2.688511 5.975935 2.040379 ESP Fit Center 4302 is at 2.268121 5.901809 2.040379 ESP Fit Center 4303 is at 3.110147 6.195031 1.697688 ESP Fit Center 4304 is at 2.690138 6.216332 1.697688 ESP Fit Center 4305 is at 2.274439 6.152649 1.697688 ESP Fit Center 4306 is at 1.880068 6.006590 1.697688 ESP Fit Center 4307 is at 3.732280 6.191997 1.318537 ESP Fit Center 4308 is at 3.327108 6.332228 1.318537 ESP Fit Center 4309 is at 2.902720 6.393246 1.318537 ESP Fit Center 4310 is at 2.474453 6.372845 1.318537 ESP Fit Center 4311 is at 2.057786 6.271763 1.318537 ESP Fit Center 4312 is at 4.575324 5.695602 0.914444 ESP Fit Center 4313 is at 4.269052 5.988427 0.914444 ESP Fit Center 4314 is at 3.112676 6.482686 0.914444 ESP Fit Center 4315 is at 2.689370 6.501697 0.914444 ESP Fit Center 4316 is at 2.269473 6.444818 0.914444 ESP Fit Center 4317 is at 1.866480 6.313878 0.914444 ESP Fit Center 4318 is at 5.158949 4.557294 0.497688 ESP Fit Center 4319 is at 5.050672 4.961387 0.497688 ESP Fit Center 4320 is at 4.873871 5.340538 0.497688 ESP Fit Center 4321 is at 1.974562 6.395801 0.497688 ESP Fit Center 4322 is at 1.595410 6.218999 0.497688 ESP Fit Center 4323 is at 5.008237 4.971026 0.080933 ESP Fit Center 4324 is at 1.493344 6.113085 0.080933 ESP Fit Center 4325 is at 1.318527 5.844952 -0.323160 ESP Fit Center 4326 is at 1.218361 5.494391 -0.702312 ESP Fit Center 4327 is at 1.259360 5.150814 -1.045002 ESP Fit Center 4328 is at 1.067779 4.769345 -1.045002 ESP Fit Center 4329 is at 0.969335 4.353976 -1.045002 ESP Fit Center 4330 is at 0.969335 3.927101 -1.045002 ESP Fit Center 4331 is at 1.380437 4.755148 -1.340818 ESP Fit Center 4332 is at 1.267089 4.350601 -1.340818 ESP Fit Center 4333 is at 1.667779 4.550963 -1.580773 ESP Fit Center 4334 is at 5.371859 3.951414 0.961903 ESP Fit Center 4335 is at 5.979904 3.664064 0.619213 ESP Fit Center 4336 is at 5.705970 3.983159 0.619213 ESP Fit Center 4337 is at 5.373410 4.240579 0.619213 ESP Fit Center 4338 is at 6.171227 3.695992 0.240062 ESP Fit Center 4339 is at 6.599535 2.898731 -0.164031 ESP Fit Center 4340 is at 6.486807 3.307193 -0.164031 ESP Fit Center 4341 is at 6.673979 2.476705 -0.580787 ESP Fit Center 4342 is at 6.637518 2.893461 -0.580787 ESP Fit Center 4343 is at 5.473979 0.398244 -0.580787 ESP Fit Center 4344 is at 6.637518 2.476705 -0.997542 ESP Fit Center 4345 is at 5.747622 0.628816 -0.997542 ESP Fit Center 4346 is at 6.053893 0.921642 -0.997542 ESP Fit Center 4347 is at 6.302956 1.264448 -0.997542 ESP Fit Center 4348 is at 6.486807 1.646217 -0.997542 ESP Fit Center 4349 is at 6.599535 2.054679 -0.997542 ESP Fit Center 4350 is at 6.529242 2.476705 -1.401635 ESP Fit Center 4351 is at 6.171227 1.257418 -1.401635 ESP Fit Center 4352 is at 6.367693 1.638509 -1.401635 ESP Fit Center 4353 is at 6.488486 2.049894 -1.401635 ESP Fit Center 4354 is at 6.352440 2.476705 -1.780787 ESP Fit Center 4355 is at 6.183997 1.657052 -1.780787 ESP Fit Center 4356 is at 6.309894 2.058314 -1.780787 ESP Fit Center 4357 is at 6.112486 2.476705 -2.123477 ESP Fit Center 4358 is at 6.062929 2.052716 -2.123477 ESP Fit Center 4359 is at 5.816670 2.476705 -2.419294 ESP Fit Center 4360 is at 3.384340 3.737037 -2.419294 ESP Fit Center 4361 is at 5.759463 2.060492 -2.419294 ESP Fit Center 4362 is at 5.473979 2.476705 -2.659248 ESP Fit Center 4363 is at 3.673979 3.515936 -2.659248 ESP Fit Center 4364 is at 3.354726 3.248050 -2.659248 ESP Fit Center 4365 is at 3.146348 2.887129 -2.659248 ESP Fit Center 4366 is at 3.863555 3.187581 -2.836049 ESP Fit Center 4367 is at 3.563104 2.887129 -2.836049 ESP Fit Center 4368 is at 4.482357 2.837626 -2.944325 ESP Fit Center 4369 is at 4.065602 2.837626 -2.944325 ESP Fit Center 4370 is at 4.620714 5.717055 0.629674 ESP Fit Center 4371 is at 4.383818 6.060259 0.629674 ESP Fit Center 4372 is at 4.071672 6.336796 0.629674 ESP Fit Center 4373 is at 3.702416 6.530597 0.629674 ESP Fit Center 4374 is at 3.297511 6.630397 0.629674 ESP Fit Center 4375 is at 2.880488 6.630397 0.629674 ESP Fit Center 4376 is at 2.475582 6.530597 0.629674 ESP Fit Center 4377 is at 4.913929 5.329678 0.223857 ESP Fit Center 4378 is at 4.775488 5.725319 0.223857 ESP Fit Center 4379 is at 4.552479 6.080236 0.223857 ESP Fit Center 4380 is at 4.256086 6.376629 0.223857 ESP Fit Center 4381 is at 3.901169 6.599638 0.223857 ESP Fit Center 4382 is at 3.505528 6.738079 0.223857 ESP Fit Center 4383 is at 3.088999 6.785011 0.223857 ESP Fit Center 4384 is at 2.672471 6.738079 0.223857 ESP Fit Center 4385 is at 2.276829 6.599638 0.223857 ESP Fit Center 4386 is at 1.921913 6.376629 0.223857 ESP Fit Center 4387 is at 4.964111 5.325892 -0.203383 ESP Fit Center 4388 is at 4.831544 5.719336 -0.203383 ESP Fit Center 4389 is at 4.617498 6.075084 -0.203383 ESP Fit Center 4390 is at 4.331981 6.376500 -0.203383 ESP Fit Center 4391 is at 3.988343 6.609492 -0.203383 ESP Fit Center 4392 is at 3.602654 6.763165 -0.203383 ESP Fit Center 4393 is at 3.192946 6.830333 -0.203383 ESP Fit Center 4394 is at 2.778378 6.807856 -0.203383 ESP Fit Center 4395 is at 2.378334 6.696784 -0.203383 ESP Fit Center 4396 is at 2.011520 6.502312 -0.203383 ESP Fit Center 4397 is at 1.695088 6.233532 -0.203383 ESP Fit Center 4398 is at 4.913929 5.329678 -0.630623 ESP Fit Center 4399 is at 4.775488 5.725319 -0.630623 ESP Fit Center 4400 is at 4.552479 6.080236 -0.630623 ESP Fit Center 4401 is at 4.256086 6.376629 -0.630623 ESP Fit Center 4402 is at 3.901169 6.599638 -0.630623 ESP Fit Center 4403 is at 3.505528 6.738079 -0.630623 ESP Fit Center 4404 is at 3.088999 6.785011 -0.630623 ESP Fit Center 4405 is at 2.672471 6.738079 -0.630623 ESP Fit Center 4406 is at 2.276829 6.599638 -0.630623 ESP Fit Center 4407 is at 1.921913 6.376629 -0.630623 ESP Fit Center 4408 is at 1.625519 6.080236 -0.630623 ESP Fit Center 4409 is at 4.768593 5.327132 -1.036440 ESP Fit Center 4410 is at 4.620714 5.717055 -1.036440 ESP Fit Center 4411 is at 4.383818 6.060259 -1.036440 ESP Fit Center 4412 is at 4.071672 6.336796 -1.036440 ESP Fit Center 4413 is at 3.702416 6.530597 -1.036440 ESP Fit Center 4414 is at 3.297511 6.630397 -1.036440 ESP Fit Center 4415 is at 2.880488 6.630397 -1.036440 ESP Fit Center 4416 is at 2.475582 6.530597 -1.036440 ESP Fit Center 4417 is at 2.106327 6.336796 -1.036440 ESP Fit Center 4418 is at 1.794180 6.060259 -1.036440 ESP Fit Center 4419 is at 1.557284 5.717055 -1.036440 ESP Fit Center 4420 is at 4.529310 5.336063 -1.400483 ESP Fit Center 4421 is at 4.351819 5.724714 -1.400483 ESP Fit Center 4422 is at 4.072021 6.047617 -1.400483 ESP Fit Center 4423 is at 3.712585 6.278613 -1.400483 ESP Fit Center 4424 is at 3.302630 6.398986 -1.400483 ESP Fit Center 4425 is at 2.875368 6.398986 -1.400483 ESP Fit Center 4426 is at 2.465413 6.278613 -1.400483 ESP Fit Center 4427 is at 2.105977 6.047617 -1.400483 ESP Fit Center 4428 is at 1.826180 5.724714 -1.400483 ESP Fit Center 4429 is at 1.648688 5.336063 -1.400483 ESP Fit Center 4430 is at 4.213906 5.322582 -1.704499 ESP Fit Center 4431 is at 4.006031 5.682630 -1.704499 ESP Fit Center 4432 is at 3.687549 5.949869 -1.704499 ESP Fit Center 4433 is at 3.296873 6.092063 -1.704499 ESP Fit Center 4434 is at 2.881125 6.092063 -1.704499 ESP Fit Center 4435 is at 2.490449 5.949869 -1.704499 ESP Fit Center 4436 is at 2.171967 5.682630 -1.704499 ESP Fit Center 4437 is at 1.964093 5.322582 -1.704499 ESP Fit Center 4438 is at 1.891899 4.913149 -1.704499 ESP Fit Center 4439 is at 3.922056 4.913149 -1.933243 ESP Fit Center 4440 is at 3.810448 5.329678 -1.933243 ESP Fit Center 4441 is at 3.505528 5.634597 -1.933243 ESP Fit Center 4442 is at 3.088999 5.746206 -1.933243 ESP Fit Center 4443 is at 2.672471 5.634597 -1.933243 ESP Fit Center 4444 is at 2.367551 5.329678 -1.933243 ESP Fit Center 4445 is at 2.255942 4.913149 -1.933243 ESP Fit Center 4446 is at 2.367551 4.496621 -1.933243 ESP Fit Center 4447 is at 3.516239 4.913149 -2.075245 ESP Fit Center 4448 is at 3.302619 5.283150 -2.075245 ESP Fit Center 4449 is at 2.875379 5.283150 -2.075245 ESP Fit Center 4450 is at 2.661759 4.913149 -2.075245 ESP Fit Center 4451 is at 2.875379 4.543148 -2.075245 ESP Fit Center 4452 is at 3.302619 4.543148 -2.075245 ESP Fit Center 4453 is at 3.088999 4.913149 -2.123383 ESP Fit Center 4454 is at 3.402405 4.241320 3.313673 ESP Fit Center 4455 is at 3.829646 4.241320 3.265535 ESP Fit Center 4456 is at 3.616025 4.611321 3.265535 ESP Fit Center 4457 is at 3.188785 4.611321 3.265535 ESP Fit Center 4458 is at 2.975165 4.241320 3.265535 ESP Fit Center 4459 is at 3.188785 3.871319 3.265535 ESP Fit Center 4460 is at 3.616025 3.871319 3.265535 ESP Fit Center 4461 is at 4.235462 4.241320 3.123534 ESP Fit Center 4462 is at 4.123854 4.657848 3.123534 ESP Fit Center 4463 is at 3.818934 4.962768 3.123534 ESP Fit Center 4464 is at 3.402405 5.074376 3.123534 ESP Fit Center 4465 is at 2.985877 4.962768 3.123534 ESP Fit Center 4466 is at 2.680957 4.657848 3.123534 ESP Fit Center 4467 is at 2.569349 4.241320 3.123534 ESP Fit Center 4468 is at 2.680957 3.824791 3.123534 ESP Fit Center 4469 is at 2.985877 3.519871 3.123534 ESP Fit Center 4470 is at 3.402405 3.408263 3.123534 ESP Fit Center 4471 is at 3.818934 3.519871 3.123534 ESP Fit Center 4472 is at 4.123854 3.824791 3.123534 ESP Fit Center 4473 is at 4.599506 4.241320 2.894790 ESP Fit Center 4474 is at 4.527312 4.650752 2.894790 ESP Fit Center 4475 is at 4.319437 5.010801 2.894790 ESP Fit Center 4476 is at 4.000956 5.278039 2.894790 ESP Fit Center 4477 is at 3.610280 5.420233 2.894790 ESP Fit Center 4478 is at 3.194531 5.420233 2.894790 ESP Fit Center 4479 is at 2.803855 5.278039 2.894790 ESP Fit Center 4480 is at 2.485373 5.010801 2.894790 ESP Fit Center 4481 is at 2.277499 4.650752 2.894790 ESP Fit Center 4482 is at 2.205305 4.241320 2.894790 ESP Fit Center 4483 is at 2.277499 3.831887 2.894790 ESP Fit Center 4484 is at 2.485373 3.471838 2.894790 ESP Fit Center 4485 is at 2.803855 3.204600 2.894790 ESP Fit Center 4486 is at 3.194531 3.062406 2.894790 ESP Fit Center 4487 is at 3.610280 3.062406 2.894790 ESP Fit Center 4488 is at 4.000956 3.204600 2.894790 ESP Fit Center 4489 is at 4.319437 3.471838 2.894790 ESP Fit Center 4490 is at 4.527312 3.831887 2.894790 ESP Fit Center 4491 is at 4.903522 4.241320 2.590774 ESP Fit Center 4492 is at 4.842716 4.664233 2.590774 ESP Fit Center 4493 is at 4.665225 5.052884 2.590774 ESP Fit Center 4494 is at 4.385428 5.375788 2.590774 ESP Fit Center 4495 is at 4.025992 5.606783 2.590774 ESP Fit Center 4496 is at 3.616036 5.727157 2.590774 ESP Fit Center 4497 is at 3.188774 5.727157 2.590774 ESP Fit Center 4498 is at 2.778819 5.606783 2.590774 ESP Fit Center 4499 is at 2.419383 5.375788 2.590774 ESP Fit Center 4500 is at 2.778819 2.875856 2.590774 ESP Fit Center 4501 is at 3.188774 2.755482 2.590774 ESP Fit Center 4502 is at 3.616036 2.755482 2.590774 ESP Fit Center 4503 is at 4.025992 2.875856 2.590774 ESP Fit Center 4504 is at 4.385428 3.106852 2.590774 ESP Fit Center 4505 is at 4.665225 3.429755 2.590774 ESP Fit Center 4506 is at 4.842716 3.818406 2.590774 ESP Fit Center 4507 is at 5.132266 4.241320 2.226730 ESP Fit Center 4508 is at 5.081999 4.655302 2.226730 ESP Fit Center 4509 is at 4.934121 5.045226 2.226730 ESP Fit Center 4510 is at 4.697224 5.388429 2.226730 ESP Fit Center 4511 is at 4.385078 5.664967 2.226730 ESP Fit Center 4512 is at 4.015822 5.858767 2.226730 ESP Fit Center 4513 is at 3.610917 5.958567 2.226730 ESP Fit Center 4514 is at 3.193894 5.958567 2.226730 ESP Fit Center 4515 is at 2.788988 5.858767 2.226730 ESP Fit Center 4516 is at 3.610917 2.524072 2.226730 ESP Fit Center 4517 is at 4.015822 2.623872 2.226730 ESP Fit Center 4518 is at 4.385078 2.817673 2.226730 ESP Fit Center 4519 is at 4.697224 3.094210 2.226730 ESP Fit Center 4520 is at 4.934121 3.437414 2.226730 ESP Fit Center 4521 is at 5.081999 3.827337 2.226730 ESP Fit Center 4522 is at 5.274267 4.241320 1.820914 ESP Fit Center 4523 is at 5.227335 4.657848 1.820914 ESP Fit Center 4524 is at 5.088894 5.053490 1.820914 ESP Fit Center 4525 is at 4.865886 5.408406 1.820914 ESP Fit Center 4526 is at 4.569492 5.704800 1.820914 ESP Fit Center 4527 is at 4.214576 5.927809 1.820914 ESP Fit Center 4528 is at 3.818934 6.066250 1.820914 ESP Fit Center 4529 is at 3.402405 6.113181 1.820914 ESP Fit Center 4530 is at 5.088894 3.429149 1.820914 ESP Fit Center 4531 is at 5.227335 3.824791 1.820914 ESP Fit Center 4532 is at 5.322405 4.241320 1.393673 ESP Fit Center 4533 is at 5.277517 4.654063 1.393673 ESP Fit Center 4534 is at 5.144950 5.047507 1.393673 ESP Fit Center 4535 is at 4.930904 5.403254 1.393673 ESP Fit Center 4536 is at 4.645387 5.704671 1.393673 ESP Fit Center 4537 is at 4.301750 5.937663 1.393673 ESP Fit Center 4538 is at 3.916060 6.091336 1.393673 ESP Fit Center 4539 is at 5.277517 3.828576 1.393673 ESP Fit Center 4540 is at 5.274267 4.241320 0.966433 ESP Fit Center 4541 is at 5.227335 4.657848 0.966433 ESP Fit Center 4542 is at 5.088894 5.053490 0.966433 ESP Fit Center 4543 is at 4.865886 5.408406 0.966433 ESP Fit Center 4544 is at 4.569492 5.704800 0.966433 ESP Fit Center 4545 is at 1.760187 4.301688 2.686049 ESP Fit Center 4546 is at 1.546567 4.671689 2.637911 ESP Fit Center 4547 is at 1.332947 4.301688 2.637911 ESP Fit Center 4548 is at 1.546567 3.931687 2.637911 ESP Fit Center 4549 is at 1.760187 5.134745 2.495910 ESP Fit Center 4550 is at 1.343659 5.023136 2.495910 ESP Fit Center 4551 is at 1.038739 4.718216 2.495910 ESP Fit Center 4552 is at 0.927130 4.301688 2.495910 ESP Fit Center 4553 is at 1.038739 3.885160 2.495910 ESP Fit Center 4554 is at 1.343659 3.580240 2.495910 ESP Fit Center 4555 is at 1.552313 5.480602 2.267166 ESP Fit Center 4556 is at 1.161637 5.338407 2.267166 ESP Fit Center 4557 is at 0.843155 5.071169 2.267166 ESP Fit Center 4558 is at 0.635281 4.711120 2.267166 ESP Fit Center 4559 is at 0.563087 4.301688 2.267166 ESP Fit Center 4560 is at 0.635281 3.892256 2.267166 ESP Fit Center 4561 is at 0.843155 3.532207 2.267166 ESP Fit Center 4562 is at 1.161637 3.264969 2.267166 ESP Fit Center 4563 is at 1.546556 5.787525 1.963150 ESP Fit Center 4564 is at 1.136601 5.667152 1.963150 ESP Fit Center 4565 is at 0.777165 5.436156 1.963150 ESP Fit Center 4566 is at 0.497368 5.113253 1.963150 ESP Fit Center 4567 is at 0.319877 4.724601 1.963150 ESP Fit Center 4568 is at 0.259071 4.301688 1.963150 ESP Fit Center 4569 is at 0.319877 3.878775 1.963150 ESP Fit Center 4570 is at 0.497368 3.490123 1.963150 ESP Fit Center 4571 is at 1.551676 6.018936 1.599106 ESP Fit Center 4572 is at 1.146770 5.919135 1.599106 ESP Fit Center 4573 is at 0.777515 5.725335 1.599106 ESP Fit Center 4574 is at 0.465368 5.448797 1.599106 ESP Fit Center 4575 is at 0.228472 5.105594 1.599106 ESP Fit Center 4576 is at 0.080594 4.715671 1.599106 ESP Fit Center 4577 is at 0.030327 4.301688 1.599106 ESP Fit Center 4578 is at 0.080594 3.887705 1.599106 ESP Fit Center 4579 is at 1.343659 6.126618 1.193290 ESP Fit Center 4580 is at 0.948017 5.988177 1.193290 ESP Fit Center 4581 is at 0.593101 5.765168 1.193290 ESP Fit Center 4582 is at 0.296707 5.468775 1.193290 ESP Fit Center 4583 is at 0.073698 5.113858 1.193290 ESP Fit Center 4584 is at -0.064743 4.718216 1.193290 ESP Fit Center 4585 is at -0.111674 4.301688 1.193290 ESP Fit Center 4586 is at -0.064743 3.885160 1.193290 ESP Fit Center 4587 is at 1.449566 6.196395 0.766049 ESP Fit Center 4588 is at 1.049522 6.085323 0.766049 ESP Fit Center 4589 is at 0.682708 5.890851 0.766049 ESP Fit Center 4590 is at 0.366276 5.622071 0.766049 ESP Fit Center 4591 is at 0.115021 5.291551 0.766049 ESP Fit Center 4592 is at -0.059307 4.914747 0.766049 ESP Fit Center 4593 is at -0.148558 4.509276 0.766049 ESP Fit Center 4594 is at -0.148558 4.094099 0.766049 ESP Fit Center 4595 is at 1.343659 6.126618 0.338809 ESP Fit Center 4596 is at 0.948017 5.988177 0.338809 ESP Fit Center 4597 is at 0.593101 5.765168 0.338809 ESP Fit Center 4598 is at 0.296707 5.468775 0.338809 ESP Fit Center 4599 is at 0.073698 5.113858 0.338809 ESP Fit Center 4600 is at -0.064743 4.718216 0.338809 ESP Fit Center 4601 is at -0.111674 4.301688 0.338809 ESP Fit Center 4602 is at -0.064743 3.885160 0.338809 ESP Fit Center 4603 is at 1.146770 5.919135 -0.067007 ESP Fit Center 4604 is at 0.777515 5.725335 -0.067007 ESP Fit Center 4605 is at 0.465368 5.448797 -0.067007 ESP Fit Center 4606 is at 0.228472 5.105594 -0.067007 ESP Fit Center 4607 is at 0.080594 4.715671 -0.067007 ESP Fit Center 4608 is at 0.030327 4.301688 -0.067007 ESP Fit Center 4609 is at 0.080594 3.887705 -0.067007 ESP Fit Center 4610 is at 1.136601 5.667152 -0.431051 ESP Fit Center 4611 is at 0.777165 5.436156 -0.431051 ESP Fit Center 4612 is at 0.497368 5.113253 -0.431051 ESP Fit Center 4613 is at 0.319877 4.724601 -0.431051 ESP Fit Center 4614 is at 0.259071 4.301688 -0.431051 ESP Fit Center 4615 is at 0.319877 3.878775 -0.431051 ESP Fit Center 4616 is at 0.843155 5.071169 -0.735067 ESP Fit Center 4617 is at 0.635281 4.711120 -0.735067 ESP Fit Center 4618 is at 0.563087 4.301688 -0.735067 ESP Fit Center 4619 is at 0.635281 3.892256 -0.735067 ESP Fit Center 4620 is at 5.662341 4.125122 0.498872 ESP Fit Center 4621 is at 5.343859 4.392360 0.498872 ESP Fit Center 4622 is at 6.185619 3.778554 0.194856 ESP Fit Center 4623 is at 6.008128 4.167206 0.194856 ESP Fit Center 4624 is at 5.728331 4.490109 0.194856 ESP Fit Center 4625 is at 5.368895 4.721105 0.194856 ESP Fit Center 4626 is at 6.475169 3.355641 -0.169187 ESP Fit Center 4627 is at 6.424902 3.769624 -0.169187 ESP Fit Center 4628 is at 6.277024 4.159547 -0.169187 ESP Fit Center 4629 is at 6.040128 4.502751 -0.169187 ESP Fit Center 4630 is at 5.727981 4.779288 -0.169187 ESP Fit Center 4631 is at 5.358725 4.973088 -0.169187 ESP Fit Center 4632 is at 6.617170 3.355641 -0.575004 ESP Fit Center 4633 is at 6.570239 3.772169 -0.575004 ESP Fit Center 4634 is at 6.431798 4.167811 -0.575004 ESP Fit Center 4635 is at 6.208789 4.522728 -0.575004 ESP Fit Center 4636 is at 5.912395 4.819121 -0.575004 ESP Fit Center 4637 is at 5.557479 5.042130 -0.575004 ESP Fit Center 4638 is at 5.161837 5.180571 -0.575004 ESP Fit Center 4639 is at 6.665309 3.355641 -1.002244 ESP Fit Center 4640 is at 6.620420 3.768384 -1.002244 ESP Fit Center 4641 is at 6.487853 4.161828 -1.002244 ESP Fit Center 4642 is at 6.273807 4.517576 -1.002244 ESP Fit Center 4643 is at 5.988290 4.818992 -1.002244 ESP Fit Center 4644 is at 5.644653 5.051984 -1.002244 ESP Fit Center 4645 is at 5.258963 5.205657 -1.002244 ESP Fit Center 4646 is at 4.849255 5.272825 -1.002244 ESP Fit Center 4647 is at 6.620420 2.942898 -1.002244 ESP Fit Center 4648 is at 6.617170 3.355641 -1.429484 ESP Fit Center 4649 is at 6.570239 3.772169 -1.429484 ESP Fit Center 4650 is at 6.431798 4.167811 -1.429484 ESP Fit Center 4651 is at 6.208789 4.522728 -1.429484 ESP Fit Center 4652 is at 5.912395 4.819121 -1.429484 ESP Fit Center 4653 is at 5.557479 5.042130 -1.429484 ESP Fit Center 4654 is at 5.161837 5.180571 -1.429484 ESP Fit Center 4655 is at 4.745309 5.227503 -1.429484 ESP Fit Center 4656 is at 6.570239 2.939113 -1.429484 ESP Fit Center 4657 is at 6.475169 3.355641 -1.835301 ESP Fit Center 4658 is at 6.424902 3.769624 -1.835301 ESP Fit Center 4659 is at 6.277024 4.159547 -1.835301 ESP Fit Center 4660 is at 6.040128 4.502751 -1.835301 ESP Fit Center 4661 is at 5.727981 4.779288 -1.835301 ESP Fit Center 4662 is at 5.358725 4.973088 -1.835301 ESP Fit Center 4663 is at 4.953820 5.072889 -1.835301 ESP Fit Center 4664 is at 4.536797 5.072889 -1.835301 ESP Fit Center 4665 is at 4.131892 4.973088 -1.835301 ESP Fit Center 4666 is at 6.424902 2.941658 -1.835301 ESP Fit Center 4667 is at 6.246425 3.355641 -2.199345 ESP Fit Center 4668 is at 6.185619 3.778554 -2.199345 ESP Fit Center 4669 is at 6.008128 4.167206 -2.199345 ESP Fit Center 4670 is at 5.728331 4.490109 -2.199345 ESP Fit Center 4671 is at 5.368895 4.721105 -2.199345 ESP Fit Center 4672 is at 4.958940 4.841478 -2.199345 ESP Fit Center 4673 is at 4.531677 4.841478 -2.199345 ESP Fit Center 4674 is at 4.121722 4.721105 -2.199345 ESP Fit Center 4675 is at 3.762286 4.490109 -2.199345 ESP Fit Center 4676 is at 3.482489 4.167206 -2.199345 ESP Fit Center 4677 is at 6.185619 2.932728 -2.199345 ESP Fit Center 4678 is at 5.942409 3.355641 -2.503361 ESP Fit Center 4679 is at 5.870215 3.765074 -2.503361 ESP Fit Center 4680 is at 5.662341 4.125122 -2.503361 ESP Fit Center 4681 is at 5.343859 4.392360 -2.503361 ESP Fit Center 4682 is at 4.953183 4.534555 -2.503361 ESP Fit Center 4683 is at 4.537434 4.534555 -2.503361 ESP Fit Center 4684 is at 4.146758 4.392360 -2.503361 ESP Fit Center 4685 is at 3.828276 4.125122 -2.503361 ESP Fit Center 4686 is at 3.620402 3.765074 -2.503361 ESP Fit Center 4687 is at 5.870215 2.946209 -2.503361 ESP Fit Center 4688 is at 5.578365 3.355641 -2.732104 ESP Fit Center 4689 is at 5.466757 3.772169 -2.732104 ESP Fit Center 4690 is at 5.161837 4.077089 -2.732104 ESP Fit Center 4691 is at 4.745309 4.188698 -2.732104 ESP Fit Center 4692 is at 4.328780 4.077089 -2.732104 ESP Fit Center 4693 is at 4.023860 3.772169 -2.732104 ESP Fit Center 4694 is at 5.466757 2.939113 -2.732104 ESP Fit Center 4695 is at 5.172549 3.355641 -2.874106 ESP Fit Center 4696 is at 4.958929 3.725642 -2.874106 ESP Fit Center 4697 is at 4.531688 3.725642 -2.874106 ESP Fit Center 4698 is at 4.318068 3.355641 -2.874106 ESP Fit Center 4699 is at 4.958929 2.985640 -2.874106 ESP Fit Center 4700 is at 4.745309 3.355641 -2.922244 ESP Fit Center 4701 is at 5.358517 0.254288 -0.914989 ESP Fit Center 4702 is at 5.434412 0.254417 -1.342229 ESP Fit Center 4703 is at 5.719929 0.555834 -1.342229 ESP Fit Center 4704 is at 5.933975 0.911581 -1.342229 ESP Fit Center 4705 is at 5.358517 0.254288 -1.769469 ESP Fit Center 4706 is at 5.654911 0.550681 -1.769469 ESP Fit Center 4707 is at 5.877920 0.905598 -1.769469 ESP Fit Center 4708 is at 6.016361 1.301240 -1.769469 ESP Fit Center 4709 is at 5.921291 1.717768 -2.175286 ESP Fit Center 4710 is at 5.174103 0.294121 -2.175286 ESP Fit Center 4711 is at 5.486249 0.570659 -2.175286 ESP Fit Center 4712 is at 5.723146 0.913862 -2.175286 ESP Fit Center 4713 is at 5.871024 1.303785 -2.175286 ESP Fit Center 4714 is at 5.692547 1.717768 -2.539330 ESP Fit Center 4715 is at 5.631741 2.140681 -2.539330 ESP Fit Center 4716 is at 2.751120 2.140681 -2.539330 ESP Fit Center 4717 is at 2.690314 1.717768 -2.539330 ESP Fit Center 4718 is at 2.751120 1.294855 -2.539330 ESP Fit Center 4719 is at 2.928611 0.906203 -2.539330 ESP Fit Center 4720 is at 3.208408 0.583300 -2.539330 ESP Fit Center 4721 is at 3.567844 0.352304 -2.539330 ESP Fit Center 4722 is at 3.977799 0.231931 -2.539330 ESP Fit Center 4723 is at 4.405062 0.231931 -2.539330 ESP Fit Center 4724 is at 4.815017 0.352304 -2.539330 ESP Fit Center 4725 is at 5.174453 0.583300 -2.539330 ESP Fit Center 4726 is at 5.454250 0.906203 -2.539330 ESP Fit Center 4727 is at 5.631741 1.294855 -2.539330 ESP Fit Center 4728 is at 5.388531 1.717768 -2.843346 ESP Fit Center 4729 is at 5.316337 2.127200 -2.843346 ESP Fit Center 4730 is at 5.108463 2.487249 -2.843346 ESP Fit Center 4731 is at 3.274398 2.487249 -2.843346 ESP Fit Center 4732 is at 3.066524 2.127200 -2.843346 ESP Fit Center 4733 is at 2.994330 1.717768 -2.843346 ESP Fit Center 4734 is at 3.066524 1.308336 -2.843346 ESP Fit Center 4735 is at 3.274398 0.948287 -2.843346 ESP Fit Center 4736 is at 3.592880 0.681049 -2.843346 ESP Fit Center 4737 is at 3.983556 0.538854 -2.843346 ESP Fit Center 4738 is at 4.399305 0.538854 -2.843346 ESP Fit Center 4739 is at 4.789981 0.681049 -2.843346 ESP Fit Center 4740 is at 5.108463 0.948287 -2.843346 ESP Fit Center 4741 is at 5.316337 1.308336 -2.843346 ESP Fit Center 4742 is at 5.024487 1.717768 -3.072089 ESP Fit Center 4743 is at 4.912879 2.134296 -3.072089 ESP Fit Center 4744 is at 4.607959 2.439216 -3.072089 ESP Fit Center 4745 is at 4.191431 2.550825 -3.072089 ESP Fit Center 4746 is at 3.774902 2.439216 -3.072089 ESP Fit Center 4747 is at 3.469982 2.134296 -3.072089 ESP Fit Center 4748 is at 3.358374 1.717768 -3.072089 ESP Fit Center 4749 is at 3.469982 1.301240 -3.072089 ESP Fit Center 4750 is at 3.774902 0.996320 -3.072089 ESP Fit Center 4751 is at 4.191431 0.884711 -3.072089 ESP Fit Center 4752 is at 4.607959 0.996320 -3.072089 ESP Fit Center 4753 is at 4.912879 1.301240 -3.072089 ESP Fit Center 4754 is at 4.618671 1.717768 -3.214091 ESP Fit Center 4755 is at 4.405051 2.087769 -3.214091 ESP Fit Center 4756 is at 3.977810 2.087769 -3.214091 ESP Fit Center 4757 is at 3.764190 1.717768 -3.214091 ESP Fit Center 4758 is at 3.977810 1.347767 -3.214091 ESP Fit Center 4759 is at 4.405051 1.347767 -3.214091 ESP Fit Center 4760 is at 4.191431 1.717768 -3.262229 ESP Fit Center 4761 is at 4.895885 2.095835 2.144313 ESP Fit Center 4762 is at 5.323125 2.095835 2.096175 ESP Fit Center 4763 is at 5.109505 2.465836 2.096175 ESP Fit Center 4764 is at 4.682265 2.465836 2.096175 ESP Fit Center 4765 is at 4.468645 2.095835 2.096175 ESP Fit Center 4766 is at 4.682265 1.725835 2.096175 ESP Fit Center 4767 is at 5.109505 1.725835 2.096175 ESP Fit Center 4768 is at 5.728942 2.095835 1.954173 ESP Fit Center 4769 is at 5.617333 2.512364 1.954173 ESP Fit Center 4770 is at 5.312413 2.817284 1.954173 ESP Fit Center 4771 is at 4.895885 2.928892 1.954173 ESP Fit Center 4772 is at 4.174437 2.512364 1.954173 ESP Fit Center 4773 is at 4.062828 2.095835 1.954173 ESP Fit Center 4774 is at 4.174437 1.679307 1.954173 ESP Fit Center 4775 is at 4.479357 1.374387 1.954173 ESP Fit Center 4776 is at 4.895885 1.262779 1.954173 ESP Fit Center 4777 is at 5.312413 1.374387 1.954173 ESP Fit Center 4778 is at 5.617333 1.679307 1.954173 ESP Fit Center 4779 is at 6.092986 2.095835 1.725429 ESP Fit Center 4780 is at 6.020792 2.505268 1.725429 ESP Fit Center 4781 is at 5.812917 2.865317 1.725429 ESP Fit Center 4782 is at 5.494435 3.132555 1.725429 ESP Fit Center 4783 is at 5.103759 3.274749 1.725429 ESP Fit Center 4784 is at 3.978853 1.326354 1.725429 ESP Fit Center 4785 is at 4.297335 1.059116 1.725429 ESP Fit Center 4786 is at 4.688011 0.916922 1.725429 ESP Fit Center 4787 is at 5.103759 0.916922 1.725429 ESP Fit Center 4788 is at 5.494435 1.059116 1.725429 ESP Fit Center 4789 is at 5.812917 1.326354 1.725429 ESP Fit Center 4790 is at 6.020792 1.686403 1.725429 ESP Fit Center 4791 is at 6.397002 2.095835 1.421413 ESP Fit Center 4792 is at 6.336196 2.518749 1.421413 ESP Fit Center 4793 is at 6.158705 2.907400 1.421413 ESP Fit Center 4794 is at 5.878907 3.230304 1.421413 ESP Fit Center 4795 is at 5.519471 3.461299 1.421413 ESP Fit Center 4796 is at 3.912863 0.961367 1.421413 ESP Fit Center 4797 is at 4.272299 0.730372 1.421413 ESP Fit Center 4798 is at 4.682254 0.609998 1.421413 ESP Fit Center 4799 is at 5.109516 0.609998 1.421413 ESP Fit Center 4800 is at 5.519471 0.730372 1.421413 ESP Fit Center 4801 is at 5.878907 0.961367 1.421413 ESP Fit Center 4802 is at 6.158705 1.284271 1.421413 ESP Fit Center 4803 is at 6.336196 1.672922 1.421413 ESP Fit Center 4804 is at 6.625745 2.095835 1.057370 ESP Fit Center 4805 is at 6.575479 2.509818 1.057370 ESP Fit Center 4806 is at 6.427600 2.899742 1.057370 ESP Fit Center 4807 is at 6.190704 3.242945 1.057370 ESP Fit Center 4808 is at 5.878558 3.519483 1.057370 ESP Fit Center 4809 is at 4.282468 0.478388 1.057370 ESP Fit Center 4810 is at 4.687373 0.378588 1.057370 ESP Fit Center 4811 is at 5.104397 0.378588 1.057370 ESP Fit Center 4812 is at 5.509302 0.478388 1.057370 ESP Fit Center 4813 is at 5.878558 0.672188 1.057370 ESP Fit Center 4814 is at 6.190704 0.948726 1.057370 ESP Fit Center 4815 is at 6.427600 1.291929 1.057370 ESP Fit Center 4816 is at 6.575479 1.681853 1.057370 ESP Fit Center 4817 is at 6.767747 2.095835 0.651553 ESP Fit Center 4818 is at 6.720815 2.512364 0.651553 ESP Fit Center 4819 is at 6.582374 2.908006 0.651553 ESP Fit Center 4820 is at 6.359365 3.262922 0.651553 ESP Fit Center 4821 is at 6.062972 3.559316 0.651553 ESP Fit Center 4822 is at 4.479357 0.270905 0.651553 ESP Fit Center 4823 is at 4.895885 0.223974 0.651553 ESP Fit Center 4824 is at 5.312413 0.270905 0.651553 ESP Fit Center 4825 is at 5.708055 0.409346 0.651553 ESP Fit Center 4826 is at 6.062972 0.632355 0.651553 ESP Fit Center 4827 is at 6.359365 0.928749 0.651553 ESP Fit Center 4828 is at 6.582374 1.283665 0.651553 ESP Fit Center 4829 is at 6.720815 1.679307 0.651553 ESP Fit Center 4830 is at 6.815885 2.095835 0.224313 ESP Fit Center 4831 is at 6.770997 2.508579 0.224313 ESP Fit Center 4832 is at 6.638430 2.902023 0.224313 ESP Fit Center 4833 is at 6.424384 3.257770 0.224313 ESP Fit Center 4834 is at 4.585264 0.201129 0.224313 ESP Fit Center 4835 is at 4.999832 0.178651 0.224313 ESP Fit Center 4836 is at 5.409540 0.245819 0.224313 ESP Fit Center 4837 is at 5.795229 0.399492 0.224313 ESP Fit Center 4838 is at 6.138867 0.632484 0.224313 ESP Fit Center 4839 is at 6.424384 0.933901 0.224313 ESP Fit Center 4840 is at 6.638430 1.289648 0.224313 ESP Fit Center 4841 is at 6.770997 1.683092 0.224313 ESP Fit Center 4842 is at 6.767747 2.095835 -0.202927 ESP Fit Center 4843 is at 6.720815 2.512364 -0.202927 ESP Fit Center 4844 is at 5.312413 0.270905 -0.202927 ESP Fit Center 4845 is at 5.708055 0.409346 -0.202927 ESP Fit Center 4846 is at 6.062972 0.632355 -0.202927 ESP Fit Center 4847 is at 6.359365 0.928749 -0.202927 ESP Fit Center 4848 is at 6.582374 1.283665 -0.202927 ESP Fit Center 4849 is at 6.720815 1.679307 -0.202927 ESP Fit Center 4850 is at 5.878558 0.672188 -0.608744 ESP Fit Center 4851 is at 6.190704 0.948726 -0.608744 ESP Fit Center 4852 is at 6.427600 1.291929 -0.608744 ESP Fit Center 4853 is at 6.575479 1.681853 -0.608744 ESP Fit Center 4854 is at 4.055390 -4.424605 0.569671 ESP Fit Center 4855 is at 5.614053 -1.721490 0.579238 ESP Fit Center 4856 is at 5.497058 -1.323041 0.579238 ESP Fit Center 4857 is at 5.306770 -0.953934 0.579238 ESP Fit Center 4858 is at 5.729817 -1.312076 0.217992 ESP Fit Center 4859 is at 5.552594 -0.932021 0.217992 ESP Fit Center 4860 is at 5.897901 -1.301100 -0.173436 ESP Fit Center 4861 is at 6.005420 -1.310806 -0.585409 ESP Fit Center 4862 is at 6.043352 -1.320235 -1.007782 ESP Fit Center 4863 is at 3.159536 -4.817066 -1.007782 ESP Fit Center 4864 is at 3.572599 -4.832899 -1.007782 ESP Fit Center 4865 is at 6.103108 -1.717707 -1.430155 ESP Fit Center 4866 is at 6.005420 -1.310806 -1.430155 ESP Fit Center 4867 is at 2.645108 -4.671118 -1.430155 ESP Fit Center 4868 is at 3.052009 -4.768806 -1.430155 ESP Fit Center 4869 is at 3.469182 -4.801639 -1.430155 ESP Fit Center 4870 is at 6.002012 -1.712226 -1.842128 ESP Fit Center 4871 is at 5.897901 -1.301100 -1.842128 ESP Fit Center 4872 is at 2.838811 -4.624157 -1.842128 ESP Fit Center 4873 is at 3.257130 -4.693962 -1.842128 ESP Fit Center 4874 is at 3.681233 -4.693962 -1.842128 ESP Fit Center 4875 is at 5.874899 -2.134880 -2.233556 ESP Fit Center 4876 is at 5.838351 -1.717132 -2.233556 ESP Fit Center 4877 is at 5.729817 -1.312076 -2.233556 ESP Fit Center 4878 is at 3.469182 -4.540598 -2.233556 ESP Fit Center 4879 is at 3.886930 -4.504050 -2.233556 ESP Fit Center 4880 is at 5.653527 -2.134880 -2.594802 ESP Fit Center 4881 is at 5.614053 -1.721490 -2.594802 ESP Fit Center 4882 is at 5.497058 -1.323041 -2.594802 ESP Fit Center 4883 is at 3.984161 -4.257653 -2.594802 ESP Fit Center 4884 is at 4.376592 -4.121831 -2.594802 ESP Fit Center 4885 is at 5.614053 -2.548270 -2.594802 ESP Fit Center 4886 is at 5.378370 -2.134880 -2.916970 ESP Fit Center 4887 is at 5.330503 -1.710046 -2.916970 ESP Fit Center 4888 is at 5.189301 -1.306514 -2.916970 ESP Fit Center 4889 is at 2.640816 -0.414761 -2.916970 ESP Fit Center 4890 is at 2.278822 -0.642217 -2.916970 ESP Fit Center 4891 is at 4.659541 -3.627544 -2.916970 ESP Fit Center 4892 is at 4.961845 -3.325240 -2.916970 ESP Fit Center 4893 is at 5.189301 -2.963246 -2.916970 ESP Fit Center 4894 is at 5.330503 -2.559715 -2.916970 ESP Fit Center 4895 is at 5.056202 -2.134880 -3.192128 ESP Fit Center 4896 is at 5.002125 -1.724129 -3.192128 ESP Fit Center 4897 is at 4.843581 -1.341370 -3.192128 ESP Fit Center 4898 is at 4.591374 -1.012687 -3.192128 ESP Fit Center 4899 is at 4.262692 -0.760480 -3.192128 ESP Fit Center 4900 is at 3.469182 -0.547860 -3.192128 ESP Fit Center 4901 is at 3.058431 -0.601936 -3.192128 ESP Fit Center 4902 is at 4.591374 -3.257073 -3.192128 ESP Fit Center 4903 is at 4.843581 -2.928390 -3.192128 ESP Fit Center 4904 is at 5.002125 -2.545631 -3.192128 ESP Fit Center 4905 is at 4.694956 -2.134880 -3.413500 ESP Fit Center 4906 is at 4.621033 -1.715641 -3.413500 ESP Fit Center 4907 is at 4.408179 -1.346968 -3.413500 ESP Fit Center 4908 is at 4.082069 -1.073328 -3.413500 ESP Fit Center 4909 is at 3.682035 -0.927728 -3.413500 ESP Fit Center 4910 is at 4.621033 -2.554120 -3.413500 ESP Fit Center 4911 is at 3.046709 -1.861784 3.885577 ESP Fit Center 4912 is at 3.461487 -1.861784 3.851208 ESP Fit Center 4913 is at 3.254098 -1.502575 3.851208 ESP Fit Center 4914 is at 2.839320 -1.502575 3.851208 ESP Fit Center 4915 is at 2.631931 -1.861784 3.851208 ESP Fit Center 4916 is at 2.839320 -2.220993 3.851208 ESP Fit Center 4917 is at 3.254098 -2.220993 3.851208 ESP Fit Center 4918 is at 3.864952 -1.861784 3.749037 ESP Fit Center 4919 is at 3.755328 -1.452663 3.749037 ESP Fit Center 4920 is at 3.455830 -1.153165 3.749037 ESP Fit Center 4921 is at 3.046709 -1.043541 3.749037 ESP Fit Center 4922 is at 2.637588 -1.153165 3.749037 ESP Fit Center 4923 is at 2.338090 -1.452663 3.749037 ESP Fit Center 4924 is at 2.228466 -1.861784 3.749037 ESP Fit Center 4925 is at 2.338090 -2.270905 3.749037 ESP Fit Center 4926 is at 2.637588 -2.570403 3.749037 ESP Fit Center 4927 is at 3.046709 -2.680027 3.749037 ESP Fit Center 4928 is at 3.455830 -2.570403 3.749037 ESP Fit Center 4929 is at 3.755328 -2.270905 3.749037 ESP Fit Center 4930 is at 4.173765 -1.451569 3.581851 ESP Fit Center 4931 is at 3.965493 -1.090833 3.581851 ESP Fit Center 4932 is at 3.646403 -0.823084 3.581851 ESP Fit Center 4933 is at 3.254981 -0.680618 3.581851 ESP Fit Center 4934 is at 2.838438 -0.680618 3.581851 ESP Fit Center 4935 is at 2.447015 -0.823084 3.581851 ESP Fit Center 4936 is at 2.127925 -1.090833 3.581851 ESP Fit Center 4937 is at 1.919654 -1.451569 3.581851 ESP Fit Center 4938 is at 1.847322 -1.861784 3.581851 ESP Fit Center 4939 is at 1.919654 -2.271999 3.581851 ESP Fit Center 4940 is at 2.127925 -2.632735 3.581851 ESP Fit Center 4941 is at 2.447015 -2.900484 3.581851 ESP Fit Center 4942 is at 2.838438 -3.042950 3.581851 ESP Fit Center 4943 is at 3.254981 -3.042950 3.581851 ESP Fit Center 4944 is at 4.537128 -1.444188 3.354211 ESP Fit Center 4945 is at 4.369193 -1.057564 3.354211 ESP Fit Center 4946 is at 4.103176 -0.730584 3.354211 ESP Fit Center 4947 is at 3.758805 -0.487501 3.354211 ESP Fit Center 4948 is at 3.361622 -0.346342 3.354211 ESP Fit Center 4949 is at 2.941082 -0.317576 3.354211 ESP Fit Center 4950 is at 2.528377 -0.403337 3.354211 ESP Fit Center 4951 is at 2.154114 -0.597265 3.354211 ESP Fit Center 4952 is at 1.846051 -0.884976 3.354211 ESP Fit Center 4953 is at 1.627035 -1.245132 3.354211 ESP Fit Center 4954 is at 1.513309 -1.651023 3.354211 ESP Fit Center 4955 is at 1.513309 -2.072545 3.354211 ESP Fit Center 4956 is at 1.627035 -2.478436 3.354211 ESP Fit Center 4957 is at 1.846051 -2.838592 3.354211 ESP Fit Center 4958 is at 2.154114 -3.126303 3.354211 ESP Fit Center 4959 is at 2.528377 -3.320231 3.354211 ESP Fit Center 4960 is at 2.941082 -3.405992 3.354211 ESP Fit Center 4961 is at 4.703526 -1.029699 3.072327 ESP Fit Center 4962 is at 4.466974 -0.670040 3.072327 ESP Fit Center 4963 is at 4.153856 -0.374628 3.072327 ESP Fit Center 4964 is at 3.781051 -0.159389 3.072327 ESP Fit Center 4965 is at 3.368657 -0.035926 3.072327 ESP Fit Center 4966 is at 2.938907 -0.010896 3.072327 ESP Fit Center 4967 is at 2.514969 -0.085648 3.072327 ESP Fit Center 4968 is at 2.119697 -0.256152 3.072327 ESP Fit Center 4969 is at 1.774400 -0.513216 3.072327 ESP Fit Center 4970 is at 1.497694 -0.842981 3.072327 ESP Fit Center 4971 is at 1.304496 -1.227670 3.072327 ESP Fit Center 4972 is at 1.205221 -1.646545 3.072327 ESP Fit Center 4973 is at 1.205221 -2.077023 3.072327 ESP Fit Center 4974 is at 1.304496 -2.495898 3.072327 ESP Fit Center 4975 is at 1.497694 -2.880587 3.072327 ESP Fit Center 4976 is at 1.774400 -3.210352 3.072327 ESP Fit Center 4977 is at 2.119697 -3.467416 3.072327 ESP Fit Center 4978 is at 2.514969 -3.637920 3.072327 ESP Fit Center 4979 is at 2.938907 -3.712671 3.072327 ESP Fit Center 4980 is at 4.985397 -1.029827 2.743886 ESP Fit Center 4981 is at 4.778240 -0.656603 2.743886 ESP Fit Center 4982 is at 4.500195 -0.332718 2.743886 ESP Fit Center 4983 is at 4.162643 -0.071433 2.743886 ESP Fit Center 4984 is at 3.779405 0.116554 2.743886 ESP Fit Center 4985 is at 3.366170 0.223548 2.743886 ESP Fit Center 4986 is at 2.939857 0.245168 2.743886 ESP Fit Center 4987 is at 2.517918 0.180529 2.743886 ESP Fit Center 4988 is at 2.117627 0.032278 2.743886 ESP Fit Center 4989 is at 1.755374 -0.193516 2.743886 ESP Fit Center 4990 is at 1.445988 -0.487610 2.743886 ESP Fit Center 4991 is at 1.202135 -0.837962 2.743886 ESP Fit Center 4992 is at 1.033800 -1.230230 2.743886 ESP Fit Center 4993 is at 0.947874 -1.648353 2.743886 ESP Fit Center 4994 is at 0.947874 -2.075215 2.743886 ESP Fit Center 4995 is at 1.033800 -2.493338 2.743886 ESP Fit Center 4996 is at 1.202135 -2.885606 2.743886 ESP Fit Center 4997 is at 1.445988 -3.235958 2.743886 ESP Fit Center 4998 is at 1.755374 -3.530052 2.743886 ESP Fit Center 4999 is at 2.117627 -3.755846 2.743886 ESP Fit Center 5000 is at 2.517918 -3.904097 2.743886 ESP Fit Center 5001 is at 5.008797 -0.646911 2.377850 ESP Fit Center 5002 is at 4.752156 -0.307064 2.377850 ESP Fit Center 5003 is at 4.437438 -0.020161 2.377850 ESP Fit Center 5004 is at 4.075361 0.204028 2.377850 ESP Fit Center 5005 is at 3.678255 0.357868 2.377850 ESP Fit Center 5006 is at 3.259641 0.436120 2.377850 ESP Fit Center 5007 is at 2.833777 0.436120 2.377850 ESP Fit Center 5008 is at 1.341262 -3.416504 2.377850 ESP Fit Center 5009 is at 1.655980 -3.703407 2.377850 ESP Fit Center 5010 is at 2.018057 -3.927596 2.377850 ESP Fit Center 5011 is at 2.415164 -4.081436 2.377850 ESP Fit Center 5012 is at 2.833777 -4.159688 2.377850 ESP Fit Center 5013 is at 5.162313 -0.640340 1.984201 ESP Fit Center 5014 is at 4.918070 -0.291525 1.984201 ESP Fit Center 5015 is at 4.616968 0.009577 1.984201 ESP Fit Center 5016 is at 4.268153 0.253820 1.984201 ESP Fit Center 5017 is at 3.882226 0.433781 1.984201 ESP Fit Center 5018 is at 5.239191 -0.636990 1.573677 ESP Fit Center 5019 is at 5.000663 -0.284077 1.573677 ESP Fit Center 5020 is at 4.705923 0.023449 1.573677 ESP Fit Center 5021 is at 4.363451 0.276740 1.573677 ESP Fit Center 5022 is at 5.239191 -0.636990 1.157477 ESP Fit Center 5023 is at 5.000663 -0.284077 1.157477 ESP Fit Center 5024 is at 4.705923 0.023449 1.157477 ESP Fit Center 5025 is at 5.342274 -1.026267 0.746954 ESP Fit Center 5026 is at 5.162313 -0.640340 0.746954 ESP Fit Center 5027 is at 4.918070 -0.291525 0.746954 ESP Fit Center 5028 is at 4.616968 0.009577 0.746954 ESP Fit Center 5029 is at -3.469887 -0.755232 2.466660 ESP Fit Center 5030 is at -3.047514 -0.755232 2.466660 ESP Fit Center 5031 is at -3.981266 -0.806619 2.367754 ESP Fit Center 5032 is at -3.675874 -1.112011 2.367754 ESP Fit Center 5033 is at -4.410552 -0.808686 2.205619 ESP Fit Center 5034 is at -4.197698 -1.177359 2.205619 ESP Fit Center 5035 is at -3.871588 -1.450998 2.205619 ESP Fit Center 5036 is at -4.845721 -0.389446 1.984247 ESP Fit Center 5037 is at -4.791645 -0.800197 1.984247 ESP Fit Center 5038 is at -4.633101 -1.182956 1.984247 ESP Fit Center 5039 is at -4.380894 -1.511639 1.984247 ESP Fit Center 5040 is at -5.167889 -0.389446 1.709090 ESP Fit Center 5041 is at -5.120022 -0.814280 1.709090 ESP Fit Center 5042 is at -4.978820 -1.217812 1.709090 ESP Fit Center 5043 is at -4.751364 -1.579806 1.709090 ESP Fit Center 5044 is at -5.433156 -0.597081 1.386922 ESP Fit Center 5045 is at -5.354565 -1.004847 1.386922 ESP Fit Center 5046 is at -5.200225 -1.390371 1.386922 ESP Fit Center 5047 is at -4.975713 -1.739719 1.386922 ESP Fit Center 5048 is at -5.519336 -1.212250 1.025676 ESP Fit Center 5049 is at -5.342113 -1.592305 1.025676 ESP Fit Center 5050 is at -5.101587 -1.935812 1.025676 ESP Fit Center 5051 is at -5.517060 -1.611609 0.634247 ESP Fit Center 5052 is at -5.285097 -1.966654 0.634247 ESP Fit Center 5053 is at -5.416154 -1.956927 0.222274 ESP Fit Center 5054 is at -5.579539 -1.769197 -0.200099 ESP Fit Center 5055 is at -5.341722 -2.107301 -0.200099 ESP Fit Center 5056 is at -5.416154 -1.956927 -0.622472 ESP Fit Center 5057 is at -5.285097 -1.966654 -1.034444 ESP Fit Center 5058 is at -5.342113 -1.592305 -1.425873 ESP Fit Center 5059 is at -5.101587 -1.935812 -1.425873 ESP Fit Center 5060 is at -4.805066 -2.232333 -1.425873 ESP Fit Center 5061 is at -5.200225 -1.390371 -1.787119 ESP Fit Center 5062 is at -4.975713 -1.739719 -1.787119 ESP Fit Center 5063 is at -4.689143 -2.040265 -1.787119 ESP Fit Center 5064 is at -4.978820 -1.217812 -2.109287 ESP Fit Center 5065 is at -4.751364 -1.579806 -2.109287 ESP Fit Center 5066 is at -4.449060 -1.882110 -2.109287 ESP Fit Center 5067 is at -1.884301 0.404064 -2.384444 ESP Fit Center 5068 is at -2.136508 0.732747 -2.384444 ESP Fit Center 5069 is at -4.791645 -0.800197 -2.384444 ESP Fit Center 5070 is at -4.633101 -1.182956 -2.384444 ESP Fit Center 5071 is at -4.380894 -1.511639 -2.384444 ESP Fit Center 5072 is at -4.052211 -1.763846 -2.384444 ESP Fit Center 5073 is at -3.669452 -1.922390 -2.384444 ESP Fit Center 5074 is at -2.032926 -0.389446 -2.605816 ESP Fit Center 5075 is at -2.106850 0.029793 -2.605816 ESP Fit Center 5076 is at -2.319703 0.398466 -2.605816 ESP Fit Center 5077 is at -2.645814 0.672106 -2.605816 ESP Fit Center 5078 is at -3.045847 0.817706 -2.605816 ESP Fit Center 5079 is at -3.471554 0.817706 -2.605816 ESP Fit Center 5080 is at -4.484475 -0.389446 -2.605816 ESP Fit Center 5081 is at -4.410552 -0.808686 -2.605816 ESP Fit Center 5082 is at -4.197698 -1.177359 -2.605816 ESP Fit Center 5083 is at -3.871588 -1.450998 -2.605816 ESP Fit Center 5084 is at -3.471554 -1.596598 -2.605816 ESP Fit Center 5085 is at -2.424355 -0.389446 -2.767951 ESP Fit Center 5086 is at -2.536136 0.027727 -2.767951 ESP Fit Center 5087 is at -2.841528 0.333119 -2.767951 ESP Fit Center 5088 is at -3.258701 0.444900 -2.767951 ESP Fit Center 5089 is at -3.675874 0.333119 -2.767951 ESP Fit Center 5090 is at -3.981266 0.027727 -2.767951 ESP Fit Center 5091 is at -4.093047 -0.389446 -2.767951 ESP Fit Center 5092 is at -3.981266 -0.806619 -2.767951 ESP Fit Center 5093 is at -3.675874 -1.112011 -2.767951 ESP Fit Center 5094 is at -3.258701 -1.223792 -2.767951 ESP Fit Center 5095 is at -2.841528 -1.112011 -2.767951 ESP Fit Center 5096 is at -2.536136 -0.806619 -2.767951 ESP Fit Center 5097 is at -2.836328 -0.389446 -2.866857 ESP Fit Center 5098 is at -3.047514 -0.023660 -2.866857 ESP Fit Center 5099 is at -3.469887 -0.023660 -2.866857 ESP Fit Center 5100 is at -3.681074 -0.389446 -2.866857 ESP Fit Center 5101 is at -3.469887 -0.755232 -2.866857 ESP Fit Center 5102 is at -3.047514 -0.755232 -2.866857 ESP Fit Center 5103 is at -3.258701 -0.389446 -2.900099 ESP Fit Center 5104 is at -2.223591 -1.288576 2.643452 ESP Fit Center 5105 is at -1.801218 -1.288576 2.610210 ESP Fit Center 5106 is at -2.012405 -0.922790 2.610210 ESP Fit Center 5107 is at -2.434778 -0.922790 2.610210 ESP Fit Center 5108 is at -2.645965 -1.288576 2.610210 ESP Fit Center 5109 is at -2.434778 -1.654361 2.610210 ESP Fit Center 5110 is at -2.012405 -1.654361 2.610210 ESP Fit Center 5111 is at -1.806419 -0.566011 2.511304 ESP Fit Center 5112 is at -2.223591 -0.454230 2.511304 ESP Fit Center 5113 is at -2.640764 -0.566011 2.511304 ESP Fit Center 5114 is at -2.946156 -0.871403 2.511304 ESP Fit Center 5115 is at -3.057937 -1.288576 2.511304 ESP Fit Center 5116 is at -1.501027 -1.705749 2.511304 ESP Fit Center 5117 is at -3.449366 -1.288576 2.349169 ESP Fit Center 5118 is at -1.806419 -0.566011 -2.624401 ESP Fit Center 5119 is at -2.946156 -1.705749 -2.624401 ESP Fit Center 5120 is at -2.640764 -2.011140 -2.624401 ESP Fit Center 5121 is at -2.223591 -2.122921 -2.624401 ESP Fit Center 5122 is at -1.806419 -2.011140 -2.624401 ESP Fit Center 5123 is at -1.501027 -1.705749 -2.624401 ESP Fit Center 5124 is at -1.801218 -1.288576 -2.723307 ESP Fit Center 5125 is at -2.012405 -0.922790 -2.723307 ESP Fit Center 5126 is at -2.434778 -0.922790 -2.723307 ESP Fit Center 5127 is at -2.645965 -1.288576 -2.723307 ESP Fit Center 5128 is at -2.434778 -1.654361 -2.723307 ESP Fit Center 5129 is at -2.012405 -1.654361 -2.723307 ESP Fit Center 5130 is at -2.223591 -1.288576 -2.756548 ESP Fit Center 5131 is at -0.861938 -0.977708 2.630459 ESP Fit Center 5132 is at -0.439565 -0.977708 2.597217 ESP Fit Center 5133 is at -0.650752 -0.611922 2.597217 ESP Fit Center 5134 is at -1.073125 -0.611922 2.597217 ESP Fit Center 5135 is at -1.284311 -0.977708 2.597217 ESP Fit Center 5136 is at -1.073125 -1.343493 2.597217 ESP Fit Center 5137 is at -0.650752 -1.343493 2.597217 ESP Fit Center 5138 is at -0.139373 -0.560535 2.498311 ESP Fit Center 5139 is at -0.444765 -0.255143 2.498311 ESP Fit Center 5140 is at -0.861938 -0.143362 2.498311 ESP Fit Center 5141 is at -1.279111 -0.255143 2.498311 ESP Fit Center 5142 is at -1.584503 -0.560535 2.498311 ESP Fit Center 5143 is at -1.279111 -1.700272 2.498311 ESP Fit Center 5144 is at -1.074792 -2.184860 -2.475259 ESP Fit Center 5145 is at -0.027592 -0.977708 -2.637394 ESP Fit Center 5146 is at -1.279111 -0.255143 -2.637394 ESP Fit Center 5147 is at -1.584503 -0.560535 -2.637394 ESP Fit Center 5148 is at -1.279111 -1.700272 -2.637394 ESP Fit Center 5149 is at -0.861938 -1.812053 -2.637394 ESP Fit Center 5150 is at -0.444765 -1.700272 -2.637394 ESP Fit Center 5151 is at -0.139373 -1.394881 -2.637394 ESP Fit Center 5152 is at -0.439565 -0.977708 -2.736300 ESP Fit Center 5153 is at -0.650752 -0.611922 -2.736300 ESP Fit Center 5154 is at -1.073125 -0.611922 -2.736300 ESP Fit Center 5155 is at -1.284311 -0.977708 -2.736300 ESP Fit Center 5156 is at -1.073125 -1.343493 -2.736300 ESP Fit Center 5157 is at -0.650752 -1.343493 -2.736300 ESP Fit Center 5158 is at -0.861938 -0.977708 -2.769541 ESP Fit Center 5159 is at -0.148180 0.204289 2.507700 ESP Fit Center 5160 is at 0.274193 0.204289 2.474459 ESP Fit Center 5161 is at 0.063007 0.570075 2.474459 ESP Fit Center 5162 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Fit Center 5199 is at -1.522579 0.997799 -2.376646 ESP Fit Center 5200 is at -1.681123 0.615040 -2.376646 ESP Fit Center 5201 is at -1.735200 0.204289 -2.376646 ESP Fit Center 5202 is at 0.790818 0.992202 -2.598017 ESP Fit Center 5203 is at 0.464708 1.265841 -2.598017 ESP Fit Center 5204 is at 0.064674 1.411441 -2.598017 ESP Fit Center 5205 is at -0.361033 1.411441 -2.598017 ESP Fit Center 5206 is at -0.761067 1.265841 -2.598017 ESP Fit Center 5207 is at -1.087177 0.992202 -2.598017 ESP Fit Center 5208 is at -1.300031 0.623529 -2.598017 ESP Fit Center 5209 is at -1.373954 0.204289 -2.598017 ESP Fit Center 5210 is at 0.574385 0.621462 -2.760152 ESP Fit Center 5211 is at 0.268993 0.926854 -2.760152 ESP Fit Center 5212 is at -0.148180 1.038635 -2.760152 ESP Fit Center 5213 is at -0.565352 0.926854 -2.760152 ESP Fit Center 5214 is at -0.870744 0.621462 -2.760152 ESP Fit Center 5215 is at -0.982525 0.204289 -2.760152 ESP Fit Center 5216 is at -0.870744 -0.212884 -2.760152 ESP Fit Center 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ESP Fit Center 5254 is at 0.438649 -1.508674 -2.614205 ESP Fit Center 5255 is at 0.855822 -2.231238 -2.614205 ESP Fit Center 5256 is at 1.061809 -1.142888 -2.713111 ESP Fit Center 5257 is at 0.850622 -1.508674 -2.713111 ESP Fit Center 5258 is at 1.061809 -1.874459 -2.713111 ESP Fit Center 5259 is at 0.012858 -2.045211 2.728066 ESP Fit Center 5260 is at 0.435231 -2.045211 2.694824 ESP Fit Center 5261 is at 0.224045 -1.679425 2.694824 ESP Fit Center 5262 is at -0.198328 -1.679425 2.694824 ESP Fit Center 5263 is at -0.409515 -2.045211 2.694824 ESP Fit Center 5264 is at -0.198328 -2.410997 2.694824 ESP Fit Center 5265 is at 0.224045 -2.410997 2.694824 ESP Fit Center 5266 is at 0.847204 -2.045211 2.595918 ESP Fit Center 5267 is at 0.430031 -1.322646 2.595918 ESP Fit Center 5268 is at 0.012858 -1.210865 2.595918 ESP Fit Center 5269 is at -0.404315 -1.322646 2.595918 ESP Fit Center 5270 is at -0.709706 -1.628038 2.595918 ESP Fit Center 5271 is at -0.821488 -2.045211 2.595918 ESP Fit Center 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Fit Center 5327 is at 0.951292 -5.094512 1.729383 ESP Fit Center 5328 is at 1.265132 -4.822567 1.729383 ESP Fit Center 5329 is at -0.315753 -5.720914 1.368138 ESP Fit Center 5330 is at 0.101995 -5.684365 1.368138 ESP Fit Center 5331 is at 0.507051 -5.575831 1.368138 ESP Fit Center 5332 is at 0.887106 -5.398608 1.368138 ESP Fit Center 5333 is at 1.230612 -5.158083 1.368138 ESP Fit Center 5334 is at -0.103701 -5.874278 0.976709 ESP Fit Center 5335 is at 0.314618 -5.804473 0.976709 ESP Fit Center 5336 is at 0.715742 -5.666767 0.976709 ESP Fit Center 5337 is at 1.088729 -5.464916 0.976709 ESP Fit Center 5338 is at 1.423406 -5.204426 0.976709 ESP Fit Center 5339 is at -0.315753 -5.981954 0.564736 ESP Fit Center 5340 is at 0.101420 -5.949122 0.564736 ESP Fit Center 5341 is at 0.508321 -5.851434 0.564736 ESP Fit Center 5342 is at 0.894930 -5.691295 0.564736 ESP Fit Center 5343 is at 1.251728 -5.472649 0.564736 ESP Fit Center 5344 is at -0.212336 -6.013215 0.142363 ESP Fit Center 5345 is at 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2.057076 ESP Fit Center 5436 is at -0.796371 -5.207306 2.057076 ESP Fit Center 5437 is at -3.566261 -4.488112 1.734908 ESP Fit Center 5438 is at -0.717327 -5.474138 1.734908 ESP Fit Center 5439 is at -3.341749 -4.837460 -1.439132 ESP Fit Center 5440 is at -1.109758 -5.609960 -1.439132 ESP Fit Center 5441 is at -0.717327 -5.474138 -1.439132 ESP Fit Center 5442 is at -3.117401 -4.677547 -1.761300 ESP Fit Center 5443 is at -2.815096 -4.979851 -1.761300 ESP Fit Center 5444 is at -2.453103 -5.207306 -1.761300 ESP Fit Center 5445 is at -2.049571 -5.348508 -1.761300 ESP Fit Center 5446 is at -1.624737 -5.396375 -1.761300 ESP Fit Center 5447 is at -1.199903 -5.348508 -1.761300 ESP Fit Center 5448 is at -0.796371 -5.207306 -1.761300 ESP Fit Center 5449 is at -2.999137 -4.280697 -2.036458 ESP Fit Center 5450 is at -2.746930 -4.609380 -2.036458 ESP Fit Center 5451 is at -2.418247 -4.861587 -2.036458 ESP Fit Center 5452 is at -2.035488 -5.020131 -2.036458 ESP Fit Center 5453 is at -1.624737 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-4.063725 1.959313 ESP Fit Center 5508 is at -4.662425 -1.955660 1.637144 ESP Fit Center 5509 is at -4.741015 -2.363426 1.637144 ESP Fit Center 5510 is at -4.741015 -2.778696 1.637144 ESP Fit Center 5511 is at -4.662425 -3.186463 1.637144 ESP Fit Center 5512 is at -4.508084 -3.571986 1.637144 ESP Fit Center 5513 is at -4.283572 -3.921334 1.637144 ESP Fit Center 5514 is at -3.997003 -4.221880 1.637144 ESP Fit Center 5515 is at -3.658733 -4.462760 1.637144 ESP Fit Center 5516 is at -4.935730 -2.153313 1.275899 ESP Fit Center 5517 is at -4.972278 -2.571061 1.275899 ESP Fit Center 5518 is at -4.935730 -2.988810 1.275899 ESP Fit Center 5519 is at -4.827195 -3.393865 1.275899 ESP Fit Center 5520 is at -4.649973 -3.773920 1.275899 ESP Fit Center 5521 is at -4.409447 -4.117427 1.275899 ESP Fit Center 5522 is at -4.112926 -4.413948 1.275899 ESP Fit Center 5523 is at -5.099391 -2.148407 0.884470 ESP Fit Center 5524 is at -5.134413 -2.571061 0.884470 ESP Fit Center 5525 is at -5.099391 -2.993716 0.884470 ESP Fit Center 5526 is at -4.995280 -3.404842 0.884470 ESP Fit Center 5527 is at -4.824919 -3.793224 0.884470 ESP Fit Center 5528 is at -4.592957 -4.148269 0.884470 ESP Fit Center 5529 is at -4.305720 -4.460292 0.884470 ESP Fit Center 5530 is at -5.200487 -2.153888 0.472497 ESP Fit Center 5531 is at -5.233319 -2.571061 0.472497 ESP Fit Center 5532 is at -5.200487 -2.988234 0.472497 ESP Fit Center 5533 is at -5.102798 -3.395135 0.472497 ESP Fit Center 5534 is at -4.942660 -3.781744 0.472497 ESP Fit Center 5535 is at -4.724013 -4.138542 0.472497 ESP Fit Center 5536 is at -4.452243 -4.456744 0.472497 ESP Fit Center 5537 is at -4.134042 -4.728514 0.472497 ESP Fit Center 5538 is at -5.258638 -2.364378 0.050124 ESP Fit Center 5539 is at -5.258638 -2.777744 0.050124 ESP Fit Center 5540 is at -5.195538 -3.186266 0.050124 ESP Fit Center 5541 is at -5.070817 -3.580367 0.050124 ESP Fit Center 5542 is at -4.887398 -3.950812 0.050124 ESP Fit Center 5543 is at -4.649581 -4.288916 0.050124 ESP Fit Center 5544 is at -4.362940 -4.586755 0.050124 ESP Fit Center 5545 is at -5.233319 -2.571061 -0.372249 ESP Fit Center 5546 is at -5.200487 -2.988234 -0.372249 ESP Fit Center 5547 is at -5.102798 -3.395135 -0.372249 ESP Fit Center 5548 is at -4.942660 -3.781744 -0.372249 ESP Fit Center 5549 is at -4.724013 -4.138542 -0.372249 ESP Fit Center 5550 is at -4.452243 -4.456744 -0.372249 ESP Fit Center 5551 is at -4.134042 -4.728514 -0.372249 ESP Fit Center 5552 is at -5.134413 -2.571061 -0.784222 ESP Fit Center 5553 is at -5.099391 -2.993716 -0.784222 ESP Fit Center 5554 is at -4.995280 -3.404842 -0.784222 ESP Fit Center 5555 is at -4.824919 -3.793224 -0.784222 ESP Fit Center 5556 is at -4.592957 -4.148269 -0.784222 ESP Fit Center 5557 is at -4.305720 -4.460292 -0.784222 ESP Fit Center 5558 is at -3.971043 -4.720781 -0.784222 ESP Fit Center 5559 is at -4.972278 -2.571061 -1.175650 ESP Fit Center 5560 is at -4.935730 -2.988810 -1.175650 ESP Fit Center 5561 is at -4.827195 -3.393865 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-2.160310 -2.134222 ESP Fit Center 5580 is at -4.153580 -2.571061 -2.134222 ESP Fit Center 5581 is at -4.099504 -2.981812 -2.134222 ESP Fit Center 5582 is at -3.940960 -3.364571 -2.134222 ESP Fit Center 5583 is at -3.688753 -3.693254 -2.134222 ESP Fit Center 5584 is at -3.360070 -3.945461 -2.134222 ESP Fit Center 5585 is at -2.977311 -4.104005 -2.134222 ESP Fit Center 5586 is at -3.718411 -2.151822 -2.355593 ESP Fit Center 5587 is at -3.792335 -2.571061 -2.355593 ESP Fit Center 5588 is at -3.718411 -2.990301 -2.355593 ESP Fit Center 5589 is at -3.505558 -3.358974 -2.355593 ESP Fit Center 5590 is at -3.179447 -3.632613 -2.355593 ESP Fit Center 5591 is at -2.779414 -3.778213 -2.355593 ESP Fit Center 5592 is at -1.732214 -2.571061 -2.517728 ESP Fit Center 5593 is at -3.289125 -2.153888 -2.517728 ESP Fit Center 5594 is at -3.400906 -2.571061 -2.517728 ESP Fit Center 5595 is at -3.289125 -2.988234 -2.517728 ESP Fit Center 5596 is at -2.983733 -3.293626 -2.517728 ESP Fit Center 5597 is at 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-4.816292 1.745575 ESP Fit Center 5616 is at 2.463956 -4.787907 1.745575 ESP Fit Center 5617 is at 2.855888 -4.648614 1.745575 ESP Fit Center 5618 is at 1.638116 -5.013027 1.418256 ESP Fit Center 5619 is at 2.048781 -5.085438 1.418256 ESP Fit Center 5620 is at 2.465075 -5.061192 1.418256 ESP Fit Center 5621 is at 2.864556 -4.941595 1.418256 ESP Fit Center 5622 is at 3.225689 -4.733095 1.418256 ESP Fit Center 5623 is at 1.536539 -5.190412 1.044820 ESP Fit Center 5624 is at 1.944612 -5.277150 1.044820 ESP Fit Center 5625 is at 2.361802 -5.277150 1.044820 ESP Fit Center 5626 is at 2.769875 -5.190412 1.044820 ESP Fit Center 5627 is at 3.150997 -5.020725 1.044820 ESP Fit Center 5628 is at 3.488511 -4.775507 1.044820 ESP Fit Center 5629 is at 1.739909 -5.370292 0.639619 ESP Fit Center 5630 is at 2.153207 -5.410999 0.639619 ESP Fit Center 5631 is at 2.566505 -5.370292 0.639619 ESP Fit Center 5632 is at 2.963921 -5.249738 0.639619 ESP Fit Center 5633 is at 3.330181 -5.053968 0.639619 ESP Fit Center 5634 is at 3.651210 -4.790505 0.639619 ESP Fit Center 5635 is at 1.845807 -5.430517 0.218224 ESP Fit Center 5636 is at 2.255984 -5.450056 0.218224 ESP Fit Center 5637 is at 2.662446 -5.391615 0.218224 ESP Fit Center 5638 is at 3.050504 -5.257308 0.218224 ESP Fit Center 5639 is at 3.406130 -5.051986 0.218224 ESP Fit Center 5640 is at 3.716473 -4.783073 0.218224 ESP Fit Center 5641 is at 1.739909 -5.370292 -0.203171 ESP Fit Center 5642 is at 2.153207 -5.410999 -0.203171 ESP Fit Center 5643 is at 2.566505 -5.370292 -0.203171 ESP Fit Center 5644 is at 2.963921 -5.249738 -0.203171 ESP Fit Center 5645 is at 3.330181 -5.053968 -0.203171 ESP Fit Center 5646 is at 3.651210 -4.790505 -0.203171 ESP Fit Center 5647 is at 1.536539 -5.190412 -0.608372 ESP Fit Center 5648 is at 1.944612 -5.277150 -0.608372 ESP Fit Center 5649 is at 2.361802 -5.277150 -0.608372 ESP Fit Center 5650 is at 2.769875 -5.190412 -0.608372 ESP Fit Center 5651 is at 3.150997 -5.020725 -0.608372 ESP Fit Center 5652 is at 1.638116 -5.013027 -0.981808 ESP Fit Center 5653 is at 2.048781 -5.085438 -0.981808 ESP Fit Center 5654 is at 2.465075 -5.061192 -0.981808 ESP Fit Center 5655 is at 2.864556 -4.941595 -0.981808 ESP Fit Center 5656 is at 1.641729 -4.731665 -1.309127 ESP Fit Center 5657 is at 2.048977 -4.816292 -1.309127 ESP Fit Center 5658 is at 2.463956 -4.787907 -1.309127 ESP Fit Center 5659 is at 1.553191 -4.331760 -1.577750 ESP Fit Center 5660 is at 1.944824 -4.474303 -1.577750 ESP Fit Center 5661 is at 5.848971 -2.786755 0.693653 ESP Fit Center 5662 is at 5.792333 -2.374681 0.693653 ESP Fit Center 5663 is at 4.632369 -4.282160 0.693653 ESP Fit Center 5664 is at 5.024301 -4.142867 0.693653 ESP Fit Center 5665 is at 5.364118 -3.902998 0.693653 ESP Fit Center 5666 is at 5.626618 -3.580342 0.693653 ESP Fit Center 5667 is at 5.792333 -3.198830 0.693653 ESP Fit Center 5668 is at 6.117595 -2.786755 0.366335 ESP Fit Center 5669 is at 6.069184 -2.372575 0.366335 ESP Fit Center 5670 is at 5.926562 -1.980724 0.366335 ESP Fit Center 5671 is at 4.217194 -4.579691 0.366335 ESP Fit Center 5672 is at 4.633488 -4.555445 0.366335 ESP Fit Center 5673 is at 5.032969 -4.435848 0.366335 ESP Fit Center 5674 is at 5.394102 -4.227348 0.366335 ESP Fit Center 5675 is at 5.697416 -3.941185 0.366335 ESP Fit Center 5676 is at 5.926562 -3.592787 0.366335 ESP Fit Center 5677 is at 6.069184 -3.200936 0.366335 ESP Fit Center 5678 is at 6.317200 -2.786755 -0.007101 ESP Fit Center 5679 is at 6.273592 -2.371851 -0.007101 ESP Fit Center 5680 is at 6.144673 -1.975080 -0.007101 ESP Fit Center 5681 is at 5.936078 -1.613783 -0.007101 ESP Fit Center 5682 is at 4.113025 -4.771403 -0.007101 ESP Fit Center 5683 is at 4.530215 -4.771403 -0.007101 ESP Fit Center 5684 is at 4.938288 -4.684665 -0.007101 ESP Fit Center 5685 is at 5.319410 -4.514978 -0.007101 ESP Fit Center 5686 is at 5.656924 -4.269760 -0.007101 ESP Fit Center 5687 is at 5.936078 -3.959728 -0.007101 ESP Fit Center 5688 is at 6.144673 -3.598431 -0.007101 ESP Fit Center 5689 is at 6.273592 -3.201660 -0.007101 ESP Fit Center 5690 is at 6.440116 -2.786755 -0.412302 ESP Fit Center 5691 is at 6.399410 -2.373457 -0.412302 ESP Fit Center 5692 is at 6.278856 -1.976042 -0.412302 ESP Fit Center 5693 is at 6.083085 -1.609782 -0.412302 ESP Fit Center 5694 is at 3.908322 -4.864545 -0.412302 ESP Fit Center 5695 is at 4.321620 -4.905252 -0.412302 ESP Fit Center 5696 is at 4.734918 -4.864545 -0.412302 ESP Fit Center 5697 is at 5.132334 -4.743991 -0.412302 ESP Fit Center 5698 is at 5.498594 -4.548221 -0.412302 ESP Fit Center 5699 is at 5.819623 -4.284758 -0.412302 ESP Fit Center 5700 is at 6.083085 -3.963729 -0.412302 ESP Fit Center 5701 is at 6.278856 -3.597469 -0.412302 ESP Fit Center 5702 is at 6.399410 -3.200053 -0.412302 ESP Fit Center 5703 is at 6.481620 -2.786755 -0.833697 ESP Fit Center 5704 is at 6.442586 -2.377973 -0.833697 ESP Fit Center 5705 is at 6.326895 -1.983964 -0.833697 ESP Fit Center 5706 is at 6.138728 -1.618971 -0.833697 ESP Fit Center 5707 is at 3.615153 -4.827957 -0.833697 ESP Fit Center 5708 is at 4.014220 -4.924770 -0.833697 ESP Fit Center 5709 is at 4.424397 -4.944309 -0.833697 ESP Fit Center 5710 is at 4.830860 -4.885868 -0.833697 ESP Fit Center 5711 is at 5.218917 -4.751560 -0.833697 ESP Fit Center 5712 is at 5.574543 -4.546239 -0.833697 ESP Fit Center 5713 is at 5.884886 -4.277326 -0.833697 ESP Fit Center 5714 is at 6.138728 -3.954540 -0.833697 ESP Fit Center 5715 is at 6.326895 -3.589546 -0.833697 ESP Fit Center 5716 is at 6.442586 -3.195538 -0.833697 ESP Fit Center 5717 is at 6.440116 -2.786755 -1.255092 ESP Fit Center 5718 is at 6.399410 -2.373457 -1.255092 ESP Fit Center 5719 is at 6.278856 -1.976042 -1.255092 ESP Fit Center 5720 is at 3.908322 -4.864545 -1.255092 ESP Fit Center 5721 is at 4.321620 -4.905252 -1.255092 ESP Fit Center 5722 is at 4.734918 -4.864545 -1.255092 ESP Fit Center 5723 is at 5.132334 -4.743991 -1.255092 ESP Fit Center 5724 is at 5.498594 -4.548221 -1.255092 ESP Fit Center 5725 is at 5.819623 -4.284758 -1.255092 ESP Fit Center 5726 is at 6.083085 -3.963729 -1.255092 ESP Fit Center 5727 is at 6.278856 -3.597469 -1.255092 ESP Fit Center 5728 is at 6.399410 -3.200053 -1.255092 ESP Fit Center 5729 is at 6.317200 -2.786755 -1.660293 ESP Fit Center 5730 is at 6.273592 -2.371851 -1.660293 ESP Fit Center 5731 is at 6.144673 -1.975080 -1.660293 ESP Fit Center 5732 is at 4.113025 -4.771403 -1.660293 ESP Fit Center 5733 is at 4.530215 -4.771403 -1.660293 ESP Fit Center 5734 is at 4.938288 -4.684665 -1.660293 ESP Fit Center 5735 is at 5.319410 -4.514978 -1.660293 ESP Fit Center 5736 is at 5.656924 -4.269760 -1.660293 ESP Fit Center 5737 is at 5.936078 -3.959728 -1.660293 ESP Fit Center 5738 is at 6.144673 -3.598431 -1.660293 ESP Fit Center 5739 is at 6.273592 -3.201660 -1.660293 ESP Fit Center 5740 is at 6.117595 -2.786755 -2.033729 ESP Fit Center 5741 is at 6.069184 -2.372575 -2.033729 ESP Fit Center 5742 is at 4.217194 -4.579691 -2.033729 ESP Fit Center 5743 is at 4.633488 -4.555445 -2.033729 ESP Fit Center 5744 is at 5.032969 -4.435848 -2.033729 ESP Fit Center 5745 is at 5.394102 -4.227348 -2.033729 ESP Fit Center 5746 is at 5.697416 -3.941185 -2.033729 ESP Fit Center 5747 is at 5.926562 -3.592787 -2.033729 ESP Fit Center 5748 is at 6.069184 -3.200936 -2.033729 ESP Fit Center 5749 is at 5.848971 -2.786755 -2.361048 ESP Fit Center 5750 is at 4.632369 -4.282160 -2.361048 ESP Fit Center 5751 is at 5.024301 -4.142867 -2.361048 ESP Fit Center 5752 is at 5.364118 -3.902998 -2.361048 ESP Fit Center 5753 is at 5.626618 -3.580342 -2.361048 ESP Fit Center 5754 is at 5.792333 -3.198830 -2.361048 ESP Fit Center 5755 is at 4.921636 -3.826013 -2.629672 ESP Fit Center 5756 is at 5.240898 -3.558121 -2.629672 ESP Fit Center 5757 is at 5.449281 -3.197190 -2.629672 ESP Fit Center 5758 is at 1.584712 -4.074069 -1.935460 ESP Fit Center 5759 is at 1.919211 -4.312264 -1.935460 ESP Fit Center 5760 is at 2.292744 -4.482851 -1.935460 ESP Fit Center 5761 is at 2.691811 -4.579664 -1.935460 ESP Fit Center 5762 is at 1.041976 -3.252363 -2.356855 ESP Fit Center 5763 is at 1.237746 -3.618623 -2.356855 ESP Fit Center 5764 is at 1.501208 -3.939653 -2.356855 ESP Fit Center 5765 is at 1.822237 -4.203115 -2.356855 ESP Fit Center 5766 is at 2.188497 -4.398885 -2.356855 ESP Fit Center 5767 is at 2.585913 -4.519439 -2.356855 ESP Fit Center 5768 is at 2.999211 -4.560146 -2.356855 ESP Fit Center 5769 is at 3.412509 -4.519439 -2.356855 ESP Fit Center 5770 is at 1.663907 -0.958645 -2.762056 ESP Fit Center 5771 is at 1.384753 -1.268677 -2.762056 ESP Fit Center 5772 is at 1.176158 -1.629974 -2.762056 ESP Fit Center 5773 is at 1.047239 -2.026745 -2.762056 ESP Fit Center 5774 is at 1.003631 -2.441650 -2.762056 ESP Fit Center 5775 is at 1.047239 -2.856554 -2.762056 ESP Fit Center 5776 is at 1.176158 -3.253325 -2.762056 ESP Fit Center 5777 is at 1.384753 -3.614622 -2.762056 ESP Fit Center 5778 is at 1.663907 -3.924654 -2.762056 ESP Fit Center 5779 is at 2.001421 -4.169872 -2.762056 ESP Fit Center 5780 is at 2.382543 -4.339559 -2.762056 ESP Fit Center 5781 is at 2.790616 -4.426297 -2.762056 ESP Fit Center 5782 is at 3.207806 -4.426297 -2.762056 ESP Fit Center 5783 is at 3.615879 -4.339559 -2.762056 ESP Fit Center 5784 is at 3.997001 -4.169872 -2.762056 ESP Fit Center 5785 is at 2.484120 -0.721125 -3.135491 ESP Fit Center 5786 is at 2.101224 -0.886290 -3.135491 ESP Fit Center 5787 is at 1.766738 -1.135305 -3.135491 ESP Fit Center 5788 is at 1.498696 -1.454746 -3.135491 ESP Fit Center 5789 is at 1.311547 -1.827390 -3.135491 ESP Fit Center 5790 is at 1.215380 -2.233150 -3.135491 ESP Fit Center 5791 is at 1.215380 -2.650149 -3.135491 ESP Fit Center 5792 is at 1.311547 -3.055909 -3.135491 ESP Fit Center 5793 is at 1.498696 -3.428554 -3.135491 ESP Fit Center 5794 is at 1.766738 -3.747994 -3.135491 ESP Fit Center 5795 is at 2.101224 -3.997009 -3.135491 ESP Fit Center 5796 is at 2.484120 -4.162174 -3.135491 ESP Fit Center 5797 is at 2.894784 -4.234585 -3.135491 ESP Fit Center 5798 is at 3.311078 -4.210339 -3.135491 ESP Fit Center 5799 is at 3.710560 -4.090742 -3.135491 ESP Fit Center 5800 is at 4.071692 -3.882242 -3.135491 ESP Fit Center 5801 is at 4.375007 -3.596080 -3.135491 ESP Fit Center 5802 is at 3.309959 -0.946245 -3.462810 ESP Fit Center 5803 is at 2.894981 -0.917860 -3.462810 ESP Fit Center 5804 is at 2.487732 -1.002487 -3.462810 ESP Fit Center 5805 is at 2.118418 -1.193850 -3.462810 ESP Fit Center 5806 is at 1.814428 -1.477757 -3.462810 ESP Fit Center 5807 is at 1.598308 -1.833151 -3.462810 ESP Fit Center 5808 is at 1.486086 -2.233675 -3.462810 ESP Fit Center 5809 is at 1.486086 -2.649624 -3.462810 ESP Fit Center 5810 is at 1.598308 -3.050148 -3.462810 ESP Fit Center 5811 is at 1.814428 -3.405542 -3.462810 ESP Fit Center 5812 is at 2.118418 -3.689449 -3.462810 ESP Fit Center 5813 is at 2.487732 -3.880812 -3.462810 ESP Fit Center 5814 is at 2.894981 -3.965440 -3.462810 ESP Fit Center 5815 is at 3.309959 -3.937054 -3.462810 ESP Fit Center 5816 is at 3.701891 -3.797762 -3.462810 ESP Fit Center 5817 is at 4.041709 -3.557892 -3.462810 ESP Fit Center 5818 is at 4.304209 -3.235236 -3.462810 ESP Fit Center 5819 is at 4.469923 -2.853724 -3.462810 ESP Fit Center 5820 is at 4.199242 -2.441650 -3.731434 ESP Fit Center 5821 is at 4.126872 -2.031215 -3.731434 ESP Fit Center 5822 is at 3.918488 -1.670284 -3.731434 ESP Fit Center 5823 is at 3.599227 -1.402392 -3.731434 ESP Fit Center 5824 is at 3.207594 -1.259849 -3.731434 ESP Fit Center 5825 is at 2.790827 -1.259849 -3.731434 ESP Fit Center 5826 is at 2.399195 -1.402392 -3.731434 ESP Fit Center 5827 is at 2.079933 -1.670284 -3.731434 ESP Fit Center 5828 is at 1.871550 -2.031215 -3.731434 ESP Fit Center 5829 is at 1.799179 -2.441650 -3.731434 ESP Fit Center 5830 is at 1.871550 -2.852085 -3.731434 ESP Fit Center 5831 is at 2.079933 -3.213015 -3.731434 ESP Fit Center 5832 is at 2.399195 -3.480908 -3.731434 ESP Fit Center 5833 is at 2.790827 -3.623450 -3.731434 ESP Fit Center 5834 is at 3.207594 -3.623450 -3.731434 ESP Fit Center 5835 is at 3.599227 -3.480908 -3.731434 ESP Fit Center 5836 is at 3.918488 -3.213015 -3.731434 ESP Fit Center 5837 is at 4.126872 -2.852085 -3.731434 ESP Fit Center 5838 is at 3.825807 -2.441650 -3.931039 ESP Fit Center 5839 is at 3.715064 -2.028351 -3.931039 ESP Fit Center 5840 is at 3.412509 -1.725796 -3.931039 ESP Fit Center 5841 is at 2.999211 -1.615053 -3.931039 ESP Fit Center 5842 is at 2.585913 -1.725796 -3.931039 ESP Fit Center 5843 is at 2.283357 -2.028351 -3.931039 ESP Fit Center 5844 is at 2.172615 -2.441650 -3.931039 ESP Fit Center 5845 is at 2.283357 -2.854948 -3.931039 ESP Fit Center 5846 is at 2.585913 -3.157503 -3.931039 ESP Fit Center 5847 is at 2.999211 -3.268246 -3.931039 ESP Fit Center 5848 is at 3.412509 -3.157503 -3.931039 ESP Fit Center 5849 is at 3.715064 -2.854948 -3.931039 ESP Fit Center 5850 is at 3.420606 -2.441650 -4.053956 ESP Fit Center 5851 is at 3.209908 -2.076711 -4.053956 ESP Fit Center 5852 is at 2.788513 -2.076711 -4.053956 ESP Fit Center 5853 is at 2.577816 -2.441650 -4.053956 ESP Fit Center 5854 is at 2.788513 -2.806588 -4.053956 ESP Fit Center 5855 is at 3.209908 -2.806588 -4.053956 ESP Fit Center 5856 is at 2.999211 -2.441650 -4.095460 ESP Fit Center 5857 is at 2.612530 0.672608 2.407262 ESP Fit Center 5858 is at 1.978970 0.306823 2.407262 ESP Fit Center 5859 is at 3.024503 0.672608 2.308356 ESP Fit Center 5860 is at 3.415931 0.672608 2.146221 ESP Fit Center 5861 is at 3.777177 0.672608 1.924849 ESP Fit Center 5862 is at 4.099345 0.672608 1.649692 ESP Fit Center 5863 is at 0.815757 1.466119 -2.443843 ESP Fit Center 5864 is at 2.403010 1.879761 -2.665214 ESP Fit Center 5865 is at 1.977303 1.879761 -2.665214 ESP Fit Center 5866 is at 1.577270 1.734160 -2.665214 ESP Fit Center 5867 is at 1.251159 1.460521 -2.665214 ESP Fit Center 5868 is at 1.038306 1.091848 -2.665214 ESP Fit Center 5869 is at 2.607330 1.395173 -2.827349 ESP Fit Center 5870 is at 2.190157 1.506954 -2.827349 ESP Fit Center 5871 is at 1.772984 1.395173 -2.827349 ESP Fit Center 5872 is at 1.467592 1.089781 -2.827349 ESP Fit Center 5873 is at 1.355811 0.672608 -2.827349 ESP Fit Center 5874 is at 1.467592 0.255436 -2.827349 ESP Fit Center 5875 is at 1.772984 -0.049956 -2.827349 ESP Fit Center 5876 is at 2.190157 -0.161737 -2.827349 ESP Fit Center 5877 is at 2.607330 -0.049956 -2.827349 ESP Fit Center 5878 is at 2.912721 0.255436 -2.827349 ESP Fit Center 5879 is at 2.612530 0.672608 -2.926255 ESP Fit Center 5880 is at 2.401343 1.038394 -2.926255 ESP Fit Center 5881 is at 1.978970 1.038394 -2.926255 ESP Fit Center 5882 is at 1.767784 0.672608 -2.926255 ESP Fit Center 5883 is at 1.978970 0.306823 -2.926255 ESP Fit Center 5884 is at 2.401343 0.306823 -2.926255 ESP Fit Center 5885 is at 2.190157 0.672608 -2.959497 ESP Fit Center 5886 is at 5.288634 -0.705577 0.426710 ESP Fit Center 5887 is at 5.122920 -0.324064 0.426710 ESP Fit Center 5888 is at 5.565485 -0.703471 0.099391 ESP Fit Center 5889 is at 5.422863 -0.311620 0.099391 ESP Fit Center 5890 is at 5.769893 -0.702747 -0.274045 ESP Fit Center 5891 is at 5.640975 -0.305976 -0.274045 ESP Fit Center 5892 is at 5.432380 0.055321 -0.274045 ESP Fit Center 5893 is at 5.895712 -0.704353 -0.679246 ESP Fit Center 5894 is at 5.775157 -0.306938 -0.679246 ESP Fit Center 5895 is at 5.579387 0.059322 -0.679246 ESP Fit Center 5896 is at 5.977922 -1.117651 -1.100641 ESP Fit Center 5897 is at 5.938888 -0.708869 -1.100641 ESP Fit Center 5898 is at 5.823197 -0.314860 -1.100641 ESP Fit Center 5899 is at 5.635029 0.050133 -1.100641 ESP Fit Center 5900 is at 5.936418 -1.117651 -1.522036 ESP Fit Center 5901 is at 5.895712 -0.704353 -1.522036 ESP Fit Center 5902 is at 5.775157 -0.306938 -1.522036 ESP Fit Center 5903 is at 5.579387 0.059322 -1.522036 ESP Fit Center 5904 is at 5.813502 -1.117651 -1.927237 ESP Fit Center 5905 is at 5.769893 -0.702747 -1.927237 ESP Fit Center 5906 is at 5.640975 -0.305976 -1.927237 ESP Fit Center 5907 is at 5.613896 -1.117651 -2.300673 ESP Fit Center 5908 is at 5.565485 -0.703471 -2.300673 ESP Fit Center 5909 is at 5.422863 -0.311620 -2.300673 ESP Fit Center 5910 is at 5.193718 0.036779 -2.300673 ESP Fit Center 5911 is at 5.288634 -0.705577 -2.627991 ESP Fit Center 5912 is at 5.122920 -0.324064 -2.627991 ESP Fit Center 5913 is at 4.860420 -0.001409 -2.627991 ESP Fit Center 5914 is at 4.945583 -0.707216 -2.896615 ESP Fit Center 5915 is at 4.737199 -0.346286 -2.896615 ESP Fit Center 5916 is at 4.417938 -0.078393 -2.896615 ESP Fit Center 5917 is at 4.026305 0.064149 -2.896615 ESP Fit Center 5918 is at 3.609539 0.064149 -2.896615 ESP Fit Center 5919 is at 3.217906 -0.078393 -2.896615 ESP Fit Center 5920 is at 4.533775 -0.704353 -3.096221 ESP Fit Center 5921 is at 4.231220 -0.401798 -3.096221 ESP Fit Center 5922 is at 3.817922 -0.291055 -3.096221 ESP Fit Center 5923 is at 3.404624 -0.401798 -3.096221 ESP Fit Center 5924 is at 3.804650 -2.398499 3.713059 ESP Fit Center 5925 is at 4.226045 -2.398499 3.671555 ESP Fit Center 5926 is at 3.593952 -2.763438 3.671555 ESP Fit Center 5927 is at 4.015347 -2.763438 3.671555 ESP Fit Center 5928 is at 4.631246 -2.398499 3.548639 ESP Fit Center 5929 is at 4.520503 -1.985201 3.548639 ESP Fit Center 5930 is at 3.391352 -3.114352 3.548639 ESP Fit Center 5931 is at 3.804650 -3.225095 3.548639 ESP Fit Center 5932 is at 4.217948 -3.114352 3.548639 ESP Fit Center 5933 is at 4.520503 -2.811797 3.548639 ESP Fit Center 5934 is at 5.004681 -2.398499 3.349033 ESP Fit Center 5935 is at 4.932311 -1.988064 3.349033 ESP Fit Center 5936 is at 4.723927 -1.627133 3.349033 ESP Fit Center 5937 is at 3.204634 -3.437757 3.349033 ESP Fit Center 5938 is at 3.596266 -3.580299 3.349033 ESP Fit Center 5939 is at 4.013033 -3.580299 3.349033 ESP Fit Center 5940 is at 4.404666 -3.437757 3.349033 ESP Fit Center 5941 is at 4.723927 -3.169864 3.349033 ESP Fit Center 5942 is at 4.932311 -2.808934 3.349033 ESP Fit Center 5943 is at 5.332000 -2.398499 3.080410 ESP Fit Center 5944 is at 5.275362 -1.986425 3.080410 ESP Fit Center 5945 is at 5.109648 -1.604912 3.080410 ESP Fit Center 5946 is at 4.847148 -1.282256 3.080410 ESP Fit Center 5947 is at 3.293171 -3.837662 3.080410 ESP Fit Center 5948 is at 3.700420 -3.922289 3.080410 ESP Fit Center 5949 is at 4.115398 -3.893904 3.080410 ESP Fit Center 5950 is at 4.507330 -3.754611 3.080410 ESP Fit Center 5951 is at 4.847148 -3.514742 3.080410 ESP Fit Center 5952 is at 5.109648 -3.192086 3.080410 ESP Fit Center 5953 is at 5.275362 -2.810573 3.080410 ESP Fit Center 5954 is at 5.600624 -2.398499 2.753091 ESP Fit Center 5955 is at 5.552213 -1.984319 2.753091 ESP Fit Center 5956 is at 5.409591 -1.592467 2.753091 ESP Fit Center 5957 is at 5.180446 -1.244069 2.753091 ESP Fit Center 5958 is at 3.289559 -4.119023 2.753091 ESP Fit Center 5959 is at 3.700223 -4.191435 2.753091 ESP Fit Center 5960 is at 4.116517 -4.167188 2.753091 ESP Fit Center 5961 is at 4.515999 -4.047591 2.753091 ESP Fit Center 5962 is at 4.877131 -3.839091 2.753091 ESP Fit Center 5963 is at 5.180446 -3.552929 2.753091 ESP Fit Center 5964 is at 5.409591 -3.204531 2.753091 ESP Fit Center 5965 is at 5.552213 -2.812679 2.753091 ESP Fit Center 5966 is at 5.800230 -2.398499 2.379655 ESP Fit Center 5967 is at 5.756621 -1.983594 2.379655 ESP Fit Center 5968 is at 5.627703 -1.586823 2.379655 ESP Fit Center 5969 is at 5.419108 -1.225526 2.379655 ESP Fit Center 5970 is at 3.187982 -4.296408 2.379655 ESP Fit Center 5971 is at 3.596055 -4.383147 2.379655 ESP Fit Center 5972 is at 4.013245 -4.383147 2.379655 ESP Fit Center 5973 is at 4.421318 -4.296408 2.379655 ESP Fit Center 5974 is at 4.802440 -4.126722 2.379655 ESP Fit Center 5975 is at 5.139953 -3.881504 2.379655 ESP Fit Center 5976 is at 5.419108 -3.571471 2.379655 ESP Fit Center 5977 is at 5.627703 -3.210174 2.379655 ESP Fit Center 5978 is at 5.756621 -2.813403 2.379655 ESP Fit Center 5979 is at 5.923146 -2.398499 1.974454 ESP Fit Center 5980 is at 5.882440 -1.985201 1.974454 ESP Fit Center 5981 is at 5.761885 -1.587785 1.974454 ESP Fit Center 5982 is at 5.566115 -1.221525 1.974454 ESP Fit Center 5983 is at 5.302653 -0.900496 1.974454 ESP Fit Center 5984 is at 2.993936 -4.355734 1.974454 ESP Fit Center 5985 is at 3.391352 -4.476289 1.974454 ESP Fit Center 5986 is at 3.804650 -4.516995 1.974454 ESP Fit Center 5987 is at 4.217948 -4.476289 1.974454 ESP Fit Center 5988 is at 4.615363 -4.355734 1.974454 ESP Fit Center 5989 is at 4.981623 -4.159964 1.974454 ESP Fit Center 5990 is at 5.302653 -3.896502 1.974454 ESP Fit Center 5991 is at 5.566115 -3.575472 1.974454 ESP Fit Center 5992 is at 5.761885 -3.209212 1.974454 ESP Fit Center 5993 is at 5.882440 -2.811797 1.974454 ESP Fit Center 5994 is at 5.964650 -2.398499 1.553059 ESP Fit Center 5995 is at 5.925616 -1.989716 1.553059 ESP Fit Center 5996 is at 5.809924 -1.595708 1.553059 ESP Fit Center 5997 is at 5.621757 -1.230715 1.553059 ESP Fit Center 5998 is at 3.497250 -4.536513 1.553059 ESP Fit Center 5999 is at 3.907427 -4.556052 1.553059 ESP Fit Center 6000 is at 4.313889 -4.497612 1.553059 ESP Fit Center 6001 is at 4.701946 -4.363304 1.553059 ESP Fit Center 6002 is at 5.057573 -4.157983 1.553059 ESP Fit Center 6003 is at 5.367915 -3.889069 1.553059 ESP Fit Center 6004 is at 5.621757 -3.566283 1.553059 ESP Fit Center 6005 is at 5.809924 -3.201290 1.553059 ESP Fit Center 6006 is at 5.925616 -2.807281 1.553059 ESP Fit Center 6007 is at 5.923146 -2.398499 1.131664 ESP Fit Center 6008 is at 5.882440 -1.985201 1.131664 ESP Fit Center 6009 is at 5.761885 -1.587785 1.131664 ESP Fit Center 6010 is at 5.566115 -1.221525 1.131664 ESP Fit Center 6011 is at 3.804650 -4.516995 1.131664 ESP Fit Center 6012 is at 4.217948 -4.476289 1.131664 ESP Fit Center 6013 is at 4.615363 -4.355734 1.131664 ESP Fit Center 6014 is at 4.981623 -4.159964 1.131664 ESP Fit Center 6015 is at 5.302653 -3.896502 1.131664 ESP Fit Center 6016 is at 5.566115 -3.575472 1.131664 ESP Fit Center 6017 is at 5.761885 -3.209212 1.131664 ESP Fit Center 6018 is at 5.882440 -2.811797 1.131664 ESP Fit Center 6019 is at 5.800230 -2.398499 0.726463 ESP Fit Center 6020 is at 5.756621 -1.983594 0.726463 ESP Fit Center 6021 is at 5.627703 -1.586823 0.726463 ESP Fit Center 6022 is at 5.419108 -1.225526 0.726463 ESP Fit Center 6023 is at 4.421318 -4.296408 0.726463 ESP Fit Center 6024 is at 2.010975 1.897243 2.741604 ESP Fit Center 6025 is at 2.433348 1.897243 2.708362 ESP Fit Center 6026 is at 2.222161 2.263028 2.708362 ESP Fit Center 6027 is at 1.799788 2.263028 2.708362 ESP Fit Center 6028 is at 1.588602 1.897243 2.708362 ESP Fit Center 6029 is at 1.799788 1.531457 2.708362 ESP Fit Center 6030 is at 2.222161 1.531457 2.708362 ESP Fit Center 6031 is at 2.845321 1.897243 2.609456 ESP Fit Center 6032 is at 2.733540 2.314415 2.609456 ESP Fit Center 6033 is at 1.593802 2.619807 2.609456 ESP Fit Center 6034 is at 1.288410 2.314415 2.609456 ESP Fit Center 6035 is at 1.176629 1.897243 2.609456 ESP Fit Center 6036 is at 1.288410 1.480070 2.609456 ESP Fit Center 6037 is at 1.593802 1.174678 2.609456 ESP Fit Center 6038 is at 2.010975 1.062897 2.609456 ESP Fit Center 6039 is at 2.428148 1.174678 2.609456 ESP Fit Center 6040 is at 2.733540 1.480070 2.609456 ESP Fit Center 6041 is at 3.236749 1.897243 2.447321 ESP Fit Center 6042 is at 0.859124 1.478003 2.447321 ESP Fit Center 6043 is at 1.071977 1.109330 2.447321 ESP Fit Center 6044 is at 1.398088 0.835691 2.447321 ESP Fit Center 6045 is at 1.798121 0.690090 2.447321 ESP Fit Center 6046 is at 2.223828 0.690090 2.447321 ESP Fit Center 6047 is at 2.623862 0.835691 2.447321 ESP Fit Center 6048 is at 2.949972 1.109330 2.447321 ESP Fit Center 6049 is at 3.162826 1.478003 2.447321 ESP Fit Center 6050 is at 3.385375 1.103732 2.225950 ESP Fit Center 6051 is at 3.543919 1.486492 2.225950 ESP Fit Center 6052 is at 3.731094 1.068877 1.950792 ESP Fit Center 6053 is at 0.464609 3.740129 -1.184171 ESP Fit Center 6054 is at 0.168088 3.443608 -1.184171 ESP Fit Center 6055 is at 0.580532 3.548061 -1.545417 ESP Fit Center 6056 is at 0.293963 3.247516 -1.545417 ESP Fit Center 6057 is at 0.069451 2.898168 -1.545417 ESP Fit Center 6058 is at 0.820615 3.389906 -1.867585 ESP Fit Center 6059 is at 0.518311 3.087602 -1.867585 ESP Fit Center 6060 is at 0.290856 2.725608 -1.867585 ESP Fit Center 6061 is at 0.149654 2.322077 -1.867585 ESP Fit Center 6062 is at 1.217465 3.271642 -2.142742 ESP Fit Center 6063 is at 0.888782 3.019435 -2.142742 ESP Fit Center 6064 is at 0.636575 2.690753 -2.142742 ESP Fit Center 6065 is at 0.478031 2.307994 -2.142742 ESP Fit Center 6066 is at 1.398088 2.958794 -2.364114 ESP Fit Center 6067 is at 1.071977 2.685155 -2.364114 ESP Fit Center 6068 is at 0.859124 2.316482 -2.364114 ESP Fit Center 6069 is at 0.785200 1.897243 -2.364114 ESP Fit Center 6070 is at 1.593802 2.619807 -2.526249 ESP Fit Center 6071 is at 1.288410 2.314415 -2.526249 ESP Fit Center 6072 is at 1.176629 1.897243 -2.526249 ESP Fit Center 6073 is at 1.799788 2.263028 -2.625155 ESP Fit Center 6074 is at 1.588602 1.897243 -2.625155 ESP Fit Center 6075 is at -2.682445 -4.915867 2.235092 ESP Fit Center 6076 is at -2.379890 -5.218422 2.235092 ESP Fit Center 6077 is at -1.966592 -5.329165 2.235092 ESP Fit Center 6078 is at -1.553293 -5.218422 2.235092 ESP Fit Center 6079 is at -3.094252 -4.913004 2.035486 ESP Fit Center 6080 is at -2.885869 -5.273934 2.035486 ESP Fit Center 6081 is at -2.566607 -5.541826 2.035486 ESP Fit Center 6082 is at -2.174975 -5.684369 2.035486 ESP Fit Center 6083 is at -1.758208 -5.684369 2.035486 ESP Fit Center 6084 is at -1.366576 -5.541826 2.035486 ESP Fit Center 6085 is at -3.479716 -4.710543 1.766863 ESP Fit Center 6086 is at -3.367495 -5.111067 1.766863 ESP Fit Center 6087 is at -3.151375 -5.466461 1.766863 ESP Fit Center 6088 is at -2.847385 -5.750368 1.766863 ESP Fit Center 6089 is at -2.478070 -5.941731 1.766863 ESP Fit Center 6090 is at -2.070822 -6.026359 1.766863 ESP Fit Center 6091 is at -1.655843 -5.997973 1.766863 ESP Fit Center 6092 is at 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Fit Center 6219 is at -2.393066 1.216552 -2.344810 ESP Fit Center 6220 is at -2.698457 1.521944 -2.344810 ESP Fit Center 6221 is at -2.904444 1.165165 -2.443716 ESP Fit Center 6222 is at -2.225494 1.143866 2.883969 ESP Fit Center 6223 is at -1.804099 1.143866 2.842465 ESP Fit Center 6224 is at -2.014797 1.508805 2.842465 ESP Fit Center 6225 is at -2.436192 1.508805 2.842465 ESP Fit Center 6226 is at -2.436192 0.778927 2.842465 ESP Fit Center 6227 is at -2.014797 0.778927 2.842465 ESP Fit Center 6228 is at -1.398898 1.143866 2.719548 ESP Fit Center 6229 is at -1.509641 1.557164 2.719548 ESP Fit Center 6230 is at -1.812196 1.859719 2.719548 ESP Fit Center 6231 is at -2.225494 1.970462 2.719548 ESP Fit Center 6232 is at -2.638793 1.859719 2.719548 ESP Fit Center 6233 is at -1.812196 0.428013 2.719548 ESP Fit Center 6234 is at -1.509641 0.730568 2.719548 ESP Fit Center 6235 is at -1.025463 1.143866 2.519943 ESP Fit Center 6236 is at -1.097833 1.554301 2.519943 ESP Fit Center 6237 is at 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ESP Fit Center 6256 is at -5.230020 1.313587 2.521689 ESP Fit Center 6257 is at -5.017166 0.944914 2.521689 ESP Fit Center 6258 is at -4.691056 0.671275 2.521689 ESP Fit Center 6259 is at -5.665189 1.732827 2.300317 ESP Fit Center 6260 is at -5.611112 1.322076 2.300317 ESP Fit Center 6261 is at -5.452568 0.939316 2.300317 ESP Fit Center 6262 is at -5.200361 0.610634 2.300317 ESP Fit Center 6263 is at -4.871679 0.358427 2.300317 ESP Fit Center 6264 is at -5.939489 2.157661 2.025160 ESP Fit Center 6265 is at -5.987357 1.732827 2.025160 ESP Fit Center 6266 is at -5.939489 1.307992 2.025160 ESP Fit Center 6267 is at -5.798288 0.904461 2.025160 ESP Fit Center 6268 is at -5.570832 0.542467 2.025160 ESP Fit Center 6269 is at -5.268528 0.240163 2.025160 ESP Fit Center 6270 is at -5.170341 -0.158872 1.702991 ESP Fit Center 6271 is at -2.358049 2.561192 -1.793217 ESP Fit Center 6272 is at -2.545225 2.143578 -2.068375 ESP Fit Center 6273 is at -2.703769 2.526337 -2.068375 ESP Fit Center 6274 is 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ESP Fit Center 6311 is at -7.672297 1.869131 -1.827900 ESP Fit Center 6312 is at -7.708845 1.451382 -1.827900 ESP Fit Center 6313 is at -7.672297 1.033634 -1.827900 ESP Fit Center 6314 is at -7.563762 0.628578 -1.827900 ESP Fit Center 6315 is at -7.386540 0.248524 -1.827900 ESP Fit Center 6316 is at -7.244651 2.452308 -2.189146 ESP Fit Center 6317 is at -7.398992 2.066784 -2.189146 ESP Fit Center 6318 is at -7.477582 1.659018 -2.189146 ESP Fit Center 6319 is at -7.477582 1.243747 -2.189146 ESP Fit Center 6320 is at -7.398992 0.835981 -2.189146 ESP Fit Center 6321 is at -7.244651 0.450457 -2.189146 ESP Fit Center 6322 is at -7.020139 0.101109 -2.189146 ESP Fit Center 6323 is at -7.212315 1.451382 -2.511314 ESP Fit Center 6324 is at -7.164448 1.026548 -2.511314 ESP Fit Center 6325 is at -7.023246 0.623017 -2.511314 ESP Fit Center 6326 is at -6.795791 0.261023 -2.511314 ESP Fit Center 6327 is at -6.493487 -0.041281 -2.511314 ESP Fit Center 6328 is at -4.878293 -0.409939 -2.511314 ESP Fit Center 6329 is at -6.425320 0.329190 -2.786471 ESP Fit Center 6330 is at -6.096637 0.076983 -2.786471 ESP Fit Center 6331 is at -5.713878 -0.081561 -2.786471 ESP Fit Center 6332 is at -5.303127 -0.135638 -2.786471 ESP Fit Center 6333 is at -4.892376 -0.081561 -2.786471 ESP Fit Center 6334 is at -3.802732 3.114376 3.127876 ESP Fit Center 6335 is at -3.591546 3.480162 3.094634 ESP Fit Center 6336 is at -4.013919 3.480162 3.094634 ESP Fit Center 6337 is at -4.013919 2.748590 3.094634 ESP Fit Center 6338 is at -3.591546 2.748590 3.094634 ESP Fit Center 6339 is at -3.802732 3.948722 2.995728 ESP Fit Center 6340 is at -4.219905 2.391811 2.995728 ESP Fit Center 6341 is at -3.802732 2.280030 2.995728 ESP Fit Center 6342 is at -3.385559 2.391811 2.995728 ESP Fit Center 6343 is at -3.589879 4.321528 2.833593 ESP Fit Center 6344 is at -4.741730 2.326463 2.833593 ESP Fit Center 6345 is at -4.415619 2.052824 2.833593 ESP Fit Center 6346 is at -4.015586 1.907224 2.833593 ESP Fit Center 6347 is at 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ESP Fit Center 6366 is at -4.219905 5.748302 0.850249 ESP Fit Center 6367 is at -2.165923 5.261667 0.427876 ESP Fit Center 6368 is at -2.512889 5.486359 0.427876 ESP Fit Center 6369 is at -2.890086 5.655454 0.427876 ESP Fit Center 6370 is at -3.288676 5.764988 0.427876 ESP Fit Center 6371 is at -3.699315 5.812395 0.427876 ESP Fit Center 6372 is at -4.112377 5.796561 0.427876 ESP Fit Center 6373 is at -4.518182 5.717860 0.427876 ESP Fit Center 6374 is at -1.645279 4.681857 0.005503 ESP Fit Center 6375 is at -1.917049 5.000059 0.005503 ESP Fit Center 6376 is at -2.235251 5.271829 0.005503 ESP Fit Center 6377 is at -4.626806 5.650614 0.005503 ESP Fit Center 6378 is at -5.013415 5.490475 0.005503 ESP Fit Center 6379 is at -1.234879 3.114376 -0.406470 ESP Fit Center 6380 is at -1.269902 3.537030 -0.406470 ESP Fit Center 6381 is at -1.374013 3.948156 -0.406470 ESP Fit Center 6382 is at -1.544373 4.336539 -0.406470 ESP Fit Center 6383 is at -5.207214 5.264096 -0.406470 ESP Fit Center 6384 is 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Center 6421 is at -6.998952 0.751469 1.384404 ESP Fit Center 6422 is at -7.016146 3.554628 1.057085 ESP Fit Center 6423 is at -7.350632 3.305613 1.057085 ESP Fit Center 6424 is at -7.618674 2.986173 1.057085 ESP Fit Center 6425 is at -7.805823 2.613528 1.057085 ESP Fit Center 6426 is at -7.901990 2.207769 1.057085 ESP Fit Center 6427 is at -7.901990 1.790769 1.057085 ESP Fit Center 6428 is at -7.805823 1.385009 1.057085 ESP Fit Center 6429 is at -7.618674 1.012365 1.057085 ESP Fit Center 6430 is at -7.350632 0.692924 1.057085 ESP Fit Center 6431 is at -6.734827 3.897178 0.683649 ESP Fit Center 6432 is at -7.115949 3.727492 0.683649 ESP Fit Center 6433 is at -7.453463 3.482274 0.683649 ESP Fit Center 6434 is at -7.732617 3.172241 0.683649 ESP Fit Center 6435 is at -7.941212 2.810944 0.683649 ESP Fit Center 6436 is at -8.070131 2.414173 0.683649 ESP Fit Center 6437 is at -8.113739 1.999269 0.683649 ESP Fit Center 6438 is at -8.070131 1.584364 0.683649 ESP Fit Center 6439 is at -7.941212 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Fit Center 6458 is at -8.268379 2.204590 -0.142947 ESP Fit Center 6459 is at -8.268379 1.793948 -0.142947 ESP Fit Center 6460 is at -8.190664 1.390726 -0.142947 ESP Fit Center 6461 is at -8.038044 1.009499 -0.142947 ESP Fit Center 6462 is at -6.118159 4.117765 -0.564342 ESP Fit Center 6463 is at -6.531457 4.077059 -0.564342 ESP Fit Center 6464 is at -6.928873 3.956504 -0.564342 ESP Fit Center 6465 is at -7.295133 3.760734 -0.564342 ESP Fit Center 6466 is at -7.616162 3.497272 -0.564342 ESP Fit Center 6467 is at -7.879624 3.176242 -0.564342 ESP Fit Center 6468 is at -8.075394 2.809982 -0.564342 ESP Fit Center 6469 is at -8.195949 2.412567 -0.564342 ESP Fit Center 6470 is at -8.236655 1.999269 -0.564342 ESP Fit Center 6471 is at -8.195949 1.585971 -0.564342 ESP Fit Center 6472 is at -8.075394 1.188555 -0.564342 ESP Fit Center 6473 is at -6.326754 3.983917 -0.969543 ESP Fit Center 6474 is at -6.734827 3.897178 -0.969543 ESP Fit Center 6475 is at -7.115949 3.727492 -0.969543 ESP Fit Center 6476 is at -7.453463 3.482274 -0.969543 ESP Fit Center 6477 is at -7.732617 3.172241 -0.969543 ESP Fit Center 6478 is at -7.941212 2.810944 -0.969543 ESP Fit Center 6479 is at -8.070131 2.414173 -0.969543 ESP Fit Center 6480 is at -8.113739 1.999269 -0.969543 ESP Fit Center 6481 is at -8.070131 1.584364 -0.969543 ESP Fit Center 6482 is at -6.633250 3.719793 -1.342979 ESP Fit Center 6483 is at -7.016146 3.554628 -1.342979 ESP Fit Center 6484 is at -7.350632 3.305613 -1.342979 ESP Fit Center 6485 is at -7.618674 2.986173 -1.342979 ESP Fit Center 6486 is at -7.805823 2.613528 -1.342979 ESP Fit Center 6487 is at -7.901990 2.207769 -1.342979 ESP Fit Center 6488 is at -7.901990 1.790769 -1.342979 ESP Fit Center 6489 is at -7.302942 2.963161 -1.670298 ESP Fit Center 6490 is at -7.519062 2.607767 -1.670298 ESP Fit Center 6491 is at -5.921616 -0.321132 1.437267 ESP Fit Center 6492 is at -5.508317 -0.431875 1.437267 ESP Fit Center 6493 is at -6.635978 -0.015714 1.237661 ESP Fit Center 6494 is at 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6548 is at -5.612744 -1.398214 -1.758345 ESP Fit Center 6549 is at -6.909221 -0.213777 -2.085664 ESP Fit Center 6550 is at -6.693101 -0.569171 -2.085664 ESP Fit Center 6551 is at -6.389110 -0.853078 -2.085664 ESP Fit Center 6552 is at -6.019796 -1.044441 -2.085664 ESP Fit Center 6553 is at -5.612548 -1.129069 -2.085664 ESP Fit Center 6554 is at -5.197569 -1.100683 -2.085664 ESP Fit Center 6555 is at -6.427595 -0.376644 -2.354287 ESP Fit Center 6556 is at -6.108333 -0.644537 -2.354287 ESP Fit Center 6557 is at -5.716701 -0.787079 -2.354287 ESP Fit Center 6558 is at -5.299934 -0.787079 -2.354287 ESP Fit Center 6559 is at -4.908302 -0.644537 -2.354287 ESP Fit Center 6560 is at -5.921616 -0.321132 -2.553893 ESP Fit Center 6561 is at -5.508317 -0.431875 -2.553893 ESP Fit Center 6562 is at -5.227880 3.869273 -2.066203 ESP Fit Center 6563 is at -5.641178 3.828567 -2.066203 ESP Fit Center 6564 is at -6.038593 3.708013 -2.066203 ESP Fit Center 6565 is at -6.404853 3.512242 -2.066203 ESP Fit Center 6566 is at -6.725883 3.248780 -2.066203 ESP Fit Center 6567 is at -3.232300 1.750777 -2.471404 ESP Fit Center 6568 is at -3.275908 2.165682 -2.471404 ESP Fit Center 6569 is at -3.404827 2.562453 -2.471404 ESP Fit Center 6570 is at -4.611212 3.648686 -2.471404 ESP Fit Center 6571 is at -5.019285 3.735425 -2.471404 ESP Fit Center 6572 is at -5.436475 3.735425 -2.471404 ESP Fit Center 6573 is at -5.844548 3.648686 -2.471404 ESP Fit Center 6574 is at -6.225670 3.479000 -2.471404 ESP Fit Center 6575 is at -6.563183 3.233782 -2.471404 ESP Fit Center 6576 is at -6.842338 2.923750 -2.471404 ESP Fit Center 6577 is at -7.050932 2.562453 -2.471404 ESP Fit Center 6578 is at -7.179851 2.165682 -2.471404 ESP Fit Center 6579 is at -3.275908 1.335873 -2.471404 ESP Fit Center 6580 is at -3.431905 1.750777 -2.844839 ESP Fit Center 6581 is at -3.480316 2.164957 -2.844839 ESP Fit Center 6582 is at -3.622938 2.556809 -2.844839 ESP Fit Center 6583 is at -3.852083 2.905207 -2.844839 ESP Fit Center 6584 is at -4.155398 3.191370 -2.844839 ESP Fit Center 6585 is at -4.516531 3.399870 -2.844839 ESP Fit Center 6586 is at -4.916012 3.519467 -2.844839 ESP Fit Center 6587 is at -5.332306 3.543713 -2.844839 ESP Fit Center 6588 is at -5.742971 3.471302 -2.844839 ESP Fit Center 6589 is at -6.125867 3.306137 -2.844839 ESP Fit Center 6590 is at -6.460352 3.057122 -2.844839 ESP Fit Center 6591 is at -6.728394 2.737681 -2.844839 ESP Fit Center 6592 is at -6.915543 2.365037 -2.844839 ESP Fit Center 6593 is at -7.011710 1.959277 -2.844839 ESP Fit Center 6594 is at -7.011710 1.542277 -2.844839 ESP Fit Center 6595 is at -6.915543 1.136518 -2.844839 ESP Fit Center 6596 is at -6.728394 0.763873 -2.844839 ESP Fit Center 6597 is at -6.460352 0.444433 -2.844839 ESP Fit Center 6598 is at -4.916012 -0.017912 -2.844839 ESP Fit Center 6599 is at -4.516531 0.101685 -2.844839 ESP Fit Center 6600 is at -4.155398 0.310185 -2.844839 ESP Fit Center 6601 is at -3.852083 0.596347 -2.844839 ESP Fit Center 6602 is 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0.979412 -3.440782 ESP Fit Center 6639 is at -5.827895 0.711519 -3.440782 ESP Fit Center 6640 is at -5.436263 0.568977 -3.440782 ESP Fit Center 6641 is at -5.019496 0.568977 -3.440782 ESP Fit Center 6642 is at -4.627864 0.711519 -3.440782 ESP Fit Center 6643 is at -4.308602 0.979412 -3.440782 ESP Fit Center 6644 is at -4.100219 1.340342 -3.440782 ESP Fit Center 6645 is at -4.401283 1.750777 -3.640387 ESP Fit Center 6646 is at -4.512026 2.164075 -3.640387 ESP Fit Center 6647 is at -4.814582 2.466631 -3.640387 ESP Fit Center 6648 is at -5.227880 2.577373 -3.640387 ESP Fit Center 6649 is at -5.641178 2.466631 -3.640387 ESP Fit Center 6650 is at -5.943733 2.164075 -3.640387 ESP Fit Center 6651 is at -6.054476 1.750777 -3.640387 ESP Fit Center 6652 is at -5.943733 1.337479 -3.640387 ESP Fit Center 6653 is at -5.641178 1.034924 -3.640387 ESP Fit Center 6654 is at -5.227880 0.924181 -3.640387 ESP Fit Center 6655 is at -4.814582 1.034924 -3.640387 ESP Fit Center 6656 is at -4.512026 1.337479 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Center 6675 is at -5.327478 3.947744 3.011451 ESP Fit Center 6676 is at -5.438221 3.534446 3.011451 ESP Fit Center 6677 is at -5.327478 3.121148 3.011451 ESP Fit Center 6678 is at -5.024923 2.818593 3.011451 ESP Fit Center 6679 is at -4.611625 2.707850 3.011451 ESP Fit Center 6680 is at -4.011609 4.573704 2.811845 ESP Fit Center 6681 is at -4.403241 4.716247 2.811845 ESP Fit Center 6682 is at -4.820008 4.716247 2.811845 ESP Fit Center 6683 is at -5.211640 4.573704 2.811845 ESP Fit Center 6684 is at -5.530902 4.305812 2.811845 ESP Fit Center 6685 is at -5.739286 3.944881 2.811845 ESP Fit Center 6686 is at -5.811656 3.534446 2.811845 ESP Fit Center 6687 is at -5.739286 3.124011 2.811845 ESP Fit Center 6688 is at -5.530902 2.763081 2.811845 ESP Fit Center 6689 is at -5.211640 2.495188 2.811845 ESP Fit Center 6690 is at -4.820008 2.352646 2.811845 ESP Fit Center 6691 is at -3.908944 4.890558 2.543222 ESP Fit Center 6692 is at -4.300876 5.029851 2.543222 ESP Fit Center 6693 is at -4.715855 5.058236 2.543222 ESP Fit Center 6694 is at -5.123103 4.973609 2.543222 ESP Fit Center 6695 is at -5.492418 4.782246 2.543222 ESP Fit Center 6696 is at -5.796408 4.498339 2.543222 ESP Fit Center 6697 is at -6.012528 4.142944 2.543222 ESP Fit Center 6698 is at -6.124749 3.742420 2.543222 ESP Fit Center 6699 is at -6.124749 3.326472 2.543222 ESP Fit Center 6700 is at -6.012528 2.925948 2.543222 ESP Fit Center 6701 is at -5.796408 2.570553 2.543222 ESP Fit Center 6702 is at -5.492418 2.286647 2.543222 ESP Fit Center 6703 is at -3.900275 5.183539 2.215903 ESP Fit Center 6704 is at -4.299757 5.303136 2.215903 ESP Fit Center 6705 is at -4.716051 5.327382 2.215903 ESP Fit Center 6706 is at -5.126716 5.254971 2.215903 ESP Fit Center 6707 is at -5.509612 5.089805 2.215903 ESP Fit Center 6708 is at -5.844097 4.840790 2.215903 ESP Fit Center 6709 is at -6.112139 4.521350 2.215903 ESP Fit Center 6710 is at -6.299288 4.148705 2.215903 ESP Fit Center 6711 is at -6.395455 3.742946 2.215903 ESP Fit Center 6712 is at -6.395455 3.325946 2.215903 ESP Fit Center 6713 is at -6.299288 2.920187 2.215903 ESP Fit Center 6714 is at -6.112139 2.547542 2.215903 ESP Fit Center 6715 is at -5.844097 2.228102 2.215903 ESP Fit Center 6716 is at -3.994957 5.432355 1.842467 ESP Fit Center 6717 is at -4.403030 5.519094 1.842467 ESP Fit Center 6718 is at -4.820219 5.519094 1.842467 ESP Fit Center 6719 is at -5.228293 5.432355 1.842467 ESP Fit Center 6720 is at -5.609414 5.262669 1.842467 ESP Fit Center 6721 is at -5.946928 5.017451 1.842467 ESP Fit Center 6722 is at -6.226083 4.707418 1.842467 ESP Fit Center 6723 is at -6.434677 4.346121 1.842467 ESP Fit Center 6724 is at -6.563596 3.949350 1.842467 ESP Fit Center 6725 is at -6.607204 3.534446 1.842467 ESP Fit Center 6726 is at -6.563596 3.119542 1.842467 ESP Fit Center 6727 is at -4.198326 5.612236 1.437266 ESP Fit Center 6728 is at -4.611625 5.652942 1.437266 ESP Fit Center 6729 is at -5.024923 5.612236 1.437266 ESP Fit Center 6730 is at -5.422338 5.491681 1.437266 ESP Fit Center 6731 is at -5.788598 5.295911 1.437266 ESP Fit Center 6732 is at -6.109628 5.032449 1.437266 ESP Fit Center 6733 is at -6.373090 4.711419 1.437266 ESP Fit Center 6734 is at -6.568860 4.345159 1.437266 ESP Fit Center 6735 is at -6.689414 3.947744 1.437266 ESP Fit Center 6736 is at -6.730121 3.534446 1.437266 ESP Fit Center 6737 is at -4.508848 5.691999 1.015871 ESP Fit Center 6738 is at -4.919025 5.672460 1.015871 ESP Fit Center 6739 is at -5.318091 5.575648 1.015871 ESP Fit Center 6740 is at -5.691625 5.405061 1.015871 ESP Fit Center 6741 is at -6.026124 5.166865 1.015871 ESP Fit Center 6742 is at -6.309499 4.869669 1.015871 ESP Fit Center 6743 is at -6.531509 4.524215 1.015871 ESP Fit Center 6744 is at -6.684129 4.142988 1.015871 ESP Fit Center 6745 is at -6.761844 3.739767 1.015871 ESP Fit Center 6746 is at -5.024923 5.612236 0.594476 ESP Fit Center 6747 is at -5.422338 5.491681 0.594476 ESP Fit Center 6748 is at -5.788598 5.295911 0.594476 ESP Fit Center 6749 is at -6.109628 5.032449 0.594476 ESP Fit Center 6750 is at -6.373090 4.711419 0.594476 ESP Fit Center 6751 is at -6.568860 4.345159 0.594476 ESP Fit Center 6752 is at -6.689414 3.947744 0.594476 ESP Fit Center 6753 is at -5.228293 5.432355 0.189275 ESP Fit Center 6754 is at -5.609414 5.262669 0.189275 ESP Fit Center 6755 is at -5.946928 5.017451 0.189275 ESP Fit Center 6756 is at -6.226083 4.707418 0.189275 ESP Fit Center 6757 is at -6.434677 4.346121 0.189275 ESP Fit Center 6758 is at -5.844097 4.840790 -0.184161 ESP Fit Center 6759 is at -6.112139 4.521350 -0.184161 ESP Fit Center 6760 is at -2.513633 5.475045 -0.051646 ESP Fit Center 6761 is at -2.879893 5.670815 -0.051646 ESP Fit Center 6762 is at -3.277308 5.791370 -0.051646 ESP Fit Center 6763 is at -3.690606 5.832076 -0.051646 ESP Fit Center 6764 is at -4.103904 5.791370 -0.051646 ESP Fit Center 6765 is at -1.873499 4.881364 -0.473041 ESP Fit Center 6766 is at -2.127341 5.204150 -0.473041 ESP Fit Center 6767 is at -2.437683 5.473064 -0.473041 ESP Fit Center 6768 is at -2.793310 5.678385 -0.473041 ESP Fit Center 6769 is at -3.181367 5.812693 -0.473041 ESP Fit Center 6770 is at -3.587829 5.871133 -0.473041 ESP Fit Center 6771 is at -3.998006 5.851594 -0.473041 ESP Fit Center 6772 is at -4.397073 5.754781 -0.473041 ESP Fit Center 6773 is at -4.770606 5.584195 -0.473041 ESP Fit Center 6774 is at -5.105105 5.345999 -0.473041 ESP Fit Center 6775 is at -1.612816 4.126878 -0.894437 ESP Fit Center 6776 is at -1.733371 4.524293 -0.894437 ESP Fit Center 6777 is at -1.929141 4.890553 -0.894437 ESP Fit Center 6778 is at -2.192603 5.211583 -0.894437 ESP Fit Center 6779 is at -2.513633 5.475045 -0.894437 ESP Fit Center 6780 is at -2.879893 5.670815 -0.894437 ESP Fit Center 6781 is at -3.277308 5.791370 -0.894437 ESP Fit Center 6782 is at -3.690606 5.832076 -0.894437 ESP Fit Center 6783 is at -4.103904 5.791370 -0.894437 ESP Fit Center 6784 is at -4.501320 5.670815 -0.894437 ESP Fit Center 6785 is at -4.867580 5.475045 -0.894437 ESP Fit Center 6786 is at -5.188609 5.211583 -0.894437 ESP Fit Center 6787 is at -5.452071 4.890553 -0.894437 ESP Fit Center 6788 is at -1.695026 3.713580 -1.299638 ESP Fit Center 6789 is at -1.738635 4.128484 -1.299638 ESP Fit Center 6790 is at -1.867553 4.525255 -1.299638 ESP Fit Center 6791 is at -2.076148 4.886552 -1.299638 ESP Fit Center 6792 is at -2.355303 5.196585 -1.299638 ESP Fit Center 6793 is at -2.692816 5.441802 -1.299638 ESP Fit Center 6794 is at -3.073938 5.611489 -1.299638 ESP Fit Center 6795 is at -3.482011 5.698228 -1.299638 ESP Fit Center 6796 is at -3.899201 5.698228 -1.299638 ESP Fit Center 6797 is at -4.307274 5.611489 -1.299638 ESP Fit Center 6798 is at -4.688396 5.441802 -1.299638 ESP Fit Center 6799 is at -5.025910 5.196585 -1.299638 ESP Fit Center 6800 is at -5.305064 4.886552 -1.299638 ESP Fit Center 6801 is at -5.513659 4.525255 -1.299638 ESP Fit Center 6802 is at -5.642578 4.128484 -1.299638 ESP Fit Center 6803 is at -1.894632 3.713580 -1.673073 ESP Fit Center 6804 is at -1.943043 4.127760 -1.673073 ESP Fit Center 6805 is at -2.085665 4.519612 -1.673073 ESP Fit Center 6806 is at -2.314810 4.868010 -1.673073 ESP Fit Center 6807 is at -2.618125 5.154172 -1.673073 ESP Fit Center 6808 is at -2.979257 5.362672 -1.673073 ESP Fit Center 6809 is at -3.378739 5.482269 -1.673073 ESP Fit Center 6810 is at -3.795033 5.506516 -1.673073 ESP Fit Center 6811 is at -4.205697 5.434104 -1.673073 ESP Fit Center 6812 is at -4.588593 5.268939 -1.673073 ESP Fit Center 6813 is at -4.923079 5.019924 -1.673073 ESP Fit Center 6814 is at -5.191121 4.700484 -1.673073 ESP Fit Center 6815 is at -5.378270 4.327839 -1.673073 ESP Fit Center 6816 is at -2.085665 2.907548 -1.673073 ESP Fit Center 6817 is at -1.943043 3.299400 -1.673073 ESP Fit Center 6818 is at -2.163256 3.713580 -2.000392 ESP Fit Center 6819 is at -2.219894 4.125654 -2.000392 ESP Fit Center 6820 is at -2.385608 4.507167 -2.000392 ESP Fit Center 6821 is at -2.648108 4.829822 -2.000392 ESP Fit Center 6822 is at -2.987926 5.069692 -2.000392 ESP Fit Center 6823 is at -3.379858 5.208984 -2.000392 ESP Fit Center 6824 is at -3.794836 5.237370 -2.000392 ESP Fit Center 6825 is at -4.202085 5.152743 -2.000392 ESP Fit Center 6826 is at -4.571399 4.961379 -2.000392 ESP Fit Center 6827 is at -4.875389 4.677472 -2.000392 ESP Fit Center 6828 is at -5.091510 4.322078 -2.000392 ESP Fit Center 6829 is at -5.203731 3.921554 -2.000392 ESP Fit Center 6830 is at -2.385608 2.919993 -2.000392 ESP Fit Center 6831 is at -2.219894 3.301505 -2.000392 ESP Fit Center 6832 is at -2.490575 3.713580 -2.269016 ESP Fit Center 6833 is at -2.562945 4.124015 -2.269016 ESP Fit Center 6834 is at -2.771329 4.484945 -2.269016 ESP Fit Center 6835 is at -3.090590 4.752838 -2.269016 ESP Fit Center 6836 is at -3.482223 4.895380 -2.269016 ESP Fit Center 6837 is at -3.898990 4.895380 -2.269016 ESP Fit Center 6838 is at -4.290622 4.752838 -2.269016 ESP Fit Center 6839 is at -4.609884 4.484945 -2.269016 ESP Fit Center 6840 is at -4.818267 4.124015 -2.269016 ESP Fit Center 6841 is at -3.090590 2.674322 -2.269016 ESP Fit Center 6842 is at -2.771329 2.942214 -2.269016 ESP Fit Center 6843 is at -2.562945 3.303145 -2.269016 ESP Fit Center 6844 is at -2.864010 3.713580 -2.468621 ESP Fit Center 6845 is at -2.974753 4.126878 -2.468621 ESP Fit Center 6846 is at -3.277308 4.429433 -2.468621 ESP Fit Center 6847 is at -3.690606 4.540176 -2.468621 ESP Fit Center 6848 is at -4.103904 4.429433 -2.468621 ESP Fit Center 6849 is at -4.406460 4.126878 -2.468621 ESP Fit Center 6850 is at -4.517202 3.713580 -2.468621 ESP Fit Center 6851 is at -3.277308 2.997726 -2.468621 ESP Fit Center 6852 is at -2.974753 3.300282 -2.468621 ESP Fit Center 6853 is at -3.269211 3.713580 -2.591538 ESP Fit Center 6854 is at -3.479909 4.078519 -2.591538 ESP Fit Center 6855 is at -3.901304 4.078519 -2.591538 ESP Fit Center 6856 is at -4.112001 3.713580 -2.591538 ESP Fit Center 6857 is at -3.901304 3.348641 -2.591538 ESP Fit Center 6858 is at -3.479909 3.348641 -2.591538 ESP Fit Center 6859 is at -3.690606 3.713580 -2.633041 ESP Fit Center 6860 is at -2.890184 3.191389 3.163913 ESP Fit Center 6861 is at -2.468789 3.191389 3.122409 ESP Fit Center 6862 is at -2.679487 3.556328 3.122409 ESP Fit Center 6863 is at -3.100882 3.556328 3.122409 ESP Fit Center 6864 is at -3.311579 3.191389 3.122409 ESP Fit Center 6865 is at -3.100882 2.826450 3.122409 ESP Fit Center 6866 is at -2.679487 2.826450 3.122409 ESP Fit Center 6867 is at -2.063588 3.191389 2.999493 ESP Fit Center 6868 is at -2.174331 3.604687 2.999493 ESP Fit Center 6869 is at -2.476886 3.907242 2.999493 ESP Fit Center 6870 is at -2.890184 4.017985 2.999493 ESP Fit Center 6871 is at -3.303482 3.907242 2.999493 ESP Fit Center 6872 is at -2.890184 2.364792 2.999493 ESP Fit Center 6873 is at -2.476886 2.475535 2.999493 ESP Fit Center 6874 is at -2.174331 2.778091 2.999493 ESP Fit Center 6875 is at -1.690153 3.191389 2.799887 ESP Fit Center 6876 is at -1.762523 3.601824 2.799887 ESP Fit Center 6877 is at -1.970907 3.962754 2.799887 ESP Fit Center 6878 is at -2.290168 4.230647 2.799887 ESP Fit Center 6879 is at -2.681801 4.373189 2.799887 ESP Fit Center 6880 is at -3.098568 4.373189 2.799887 ESP Fit Center 6881 is at -3.098568 2.009588 2.799887 ESP Fit Center 6882 is at -2.681801 2.009588 2.799887 ESP Fit Center 6883 is at -2.290168 2.152131 2.799887 ESP Fit Center 6884 is at -1.970907 2.420023 2.799887 ESP Fit Center 6885 is at -1.762523 2.780954 2.799887 ESP Fit Center 6886 is at -1.362834 3.191389 2.531264 ESP Fit Center 6887 is at -1.419472 3.603463 2.531264 ESP Fit Center 6888 is at -1.585186 3.984976 2.531264 ESP Fit Center 6889 is at -1.847686 4.307631 2.531264 ESP Fit Center 6890 is at -2.187504 4.547501 2.531264 ESP Fit Center 6891 is at -2.579436 4.686793 2.531264 ESP Fit Center 6892 is at -2.994414 4.715179 2.531264 ESP Fit Center 6893 is at -1.585186 2.397802 2.531264 ESP Fit Center 6894 is at -1.419472 2.779314 2.531264 ESP Fit Center 6895 is at -1.094210 3.191389 2.203945 ESP Fit Center 6896 is at -1.142621 3.605569 2.203945 ESP Fit Center 6897 is at -1.285243 3.997421 2.203945 ESP Fit Center 6898 is at -1.514388 4.345819 2.203945 ESP Fit Center 6899 is at -1.817703 4.631981 2.203945 ESP Fit Center 6900 is at -2.178835 4.840481 2.203945 ESP Fit Center 6901 is at -2.578317 4.960078 2.203945 ESP Fit Center 6902 is at -2.994611 4.984325 2.203945 ESP Fit Center 6903 is at -1.142621 2.777209 2.203945 ESP Fit Center 6904 is at -0.894604 3.191389 1.830509 ESP Fit Center 6905 is at -0.938213 3.606293 1.830509 ESP Fit Center 6906 is at -1.067131 4.003064 1.830509 ESP Fit Center 6907 is at -1.275726 4.364361 1.830509 ESP Fit Center 6908 is at -1.554881 4.674393 1.830509 ESP Fit Center 6909 is at -1.892394 4.919611 1.830509 ESP Fit Center 6910 is at -2.273516 5.089298 1.830509 ESP Fit Center 6911 is at -2.681589 5.176036 1.830509 ESP Fit Center 6912 is at -0.938213 2.776484 1.830509 ESP Fit Center 6913 is at -0.771688 3.191389 1.425308 ESP Fit Center 6914 is at -0.812394 3.604687 1.425308 ESP Fit Center 6915 is at -0.932949 4.002102 1.425308 ESP Fit Center 6916 is at -1.128719 4.368362 1.425308 ESP Fit Center 6917 is at -1.392181 4.689392 1.425308 ESP Fit Center 6918 is at -1.713211 4.952854 1.425308 ESP Fit Center 6919 is at -2.079471 5.148624 1.425308 ESP Fit Center 6920 is at -2.476886 5.269179 1.425308 ESP Fit Center 6921 is at -0.812394 2.778091 1.425308 ESP Fit Center 6922 is at -0.769218 3.600171 1.003913 ESP Fit Center 6923 is at -0.884910 3.994180 1.003913 ESP Fit Center 6924 is at -1.073077 4.359173 1.003913 ESP Fit Center 6925 is at -1.326919 4.681959 1.003913 ESP Fit Center 6926 is at -1.637261 4.950873 1.003913 ESP Fit Center 6927 is at -1.992888 5.156194 1.003913 ESP Fit Center 6928 is at -0.812394 3.604687 0.582518 ESP Fit Center 6929 is at -0.932949 4.002102 0.582518 ESP Fit Center 6930 is at -1.128719 4.368362 0.582518 ESP Fit Center 6931 is at -1.392181 4.689392 0.582518 ESP Fit Center 6932 is at -1.713211 4.952854 0.582518 ESP Fit Center 6933 is at -0.894604 3.191389 0.177317 ESP Fit Center 6934 is at -0.938213 3.606293 0.177317 ESP Fit Center 6935 is at -1.067131 4.003064 0.177317 ESP Fit Center 6936 is at -1.275726 4.364361 0.177317 ESP Fit Center 6937 is at -1.554881 4.674393 0.177317 ESP Fit Center 6938 is at -1.094210 3.191389 -0.196119 ESP Fit Center 6939 is at -1.142621 3.605569 -0.196119 ESP Fit Center 6940 is at -1.285243 3.997421 -0.196119 ESP Fit Center 6941 is at -1.142621 2.777209 -0.196119 ESP Fit Center 6942 is at 3.370344 2.113261 2.462178 ESP Fit Center 6943 is at 3.566058 1.774274 2.300043 ESP Fit Center 6944 is at 3.892168 2.047913 2.300043 ESP Fit Center 6945 is at 3.746681 1.461426 2.078671 ESP Fit Center 6946 is at 1.011647 3.836751 -1.692695 ESP Fit Center 6947 is at 1.762811 4.328489 -2.014863 ESP Fit Center 6948 is at 1.460507 4.026185 -2.014863 ESP Fit Center 6949 is at 1.233051 3.664192 -2.014863 ESP Fit Center 6950 is at 2.542420 4.368770 -2.290020 ESP Fit Center 6951 is at 2.159660 4.210226 -2.290020 ESP Fit Center 6952 is at 1.830978 3.958019 -2.290020 ESP Fit Center 6953 is at 1.578771 3.629336 -2.290020 ESP Fit Center 6954 is at 1.420227 3.246577 -2.290020 ESP Fit Center 6955 is at 3.166024 4.042978 -2.511392 ESP Fit Center 6956 is at 2.740317 4.042978 -2.511392 ESP Fit Center 6957 is at 2.340283 3.897378 -2.511392 ESP Fit Center 6958 is at 2.014173 3.623738 -2.511392 ESP Fit Center 6959 is at 1.801319 3.255065 -2.511392 ESP Fit Center 6960 is at 1.727396 2.835826 -2.511392 ESP Fit Center 6961 is at 2.953171 3.670172 -2.673527 ESP Fit Center 6962 is at 2.535998 3.558391 -2.673527 ESP Fit Center 6963 is at 2.230606 3.252999 -2.673527 ESP Fit Center 6964 is at 2.118825 2.835826 -2.673527 ESP Fit Center 6965 is at 2.230606 2.418653 -2.673527 ESP Fit Center 6966 is at 2.535998 2.113261 -2.673527 ESP Fit Center 6967 is at 2.741984 3.201612 -2.772433 ESP Fit Center 6968 is at 2.530798 2.835826 -2.772433 ESP Fit Center 6969 is at 1.070319 2.255115 2.590245 ESP Fit Center 6970 is at 1.281017 2.620054 2.548741 ESP Fit Center 6971 is at 0.859622 2.620054 2.548741 ESP Fit Center 6972 is at 0.648924 2.255115 2.548741 ESP Fit Center 6973 is at 0.859622 1.890177 2.548741 ESP Fit Center 6974 is at 1.070319 3.081712 2.425825 ESP Fit Center 6975 is at 0.657021 2.970969 2.425825 ESP Fit Center 6976 is at 0.354466 2.668414 2.425825 ESP Fit Center 6977 is at 0.243723 2.255115 2.425825 ESP Fit Center 6978 is at 0.354466 1.841817 2.425825 ESP Fit Center 6979 is at 0.657021 1.539262 2.425825 ESP Fit Center 6980 is at 0.470303 3.294373 2.226219 ESP Fit Center 6981 is at 0.151041 3.026481 2.226219 ESP Fit Center 6982 is at -0.057342 2.665550 2.226219 ESP Fit Center 6983 is at -0.129713 2.255115 2.226219 ESP Fit Center 6984 is at -0.057342 1.844680 2.226219 ESP Fit Center 6985 is at 0.151041 1.483750 2.226219 ESP Fit Center 6986 is at -0.114464 3.219008 1.957595 ESP Fit Center 6987 is at -0.330584 2.863614 1.957595 ESP Fit Center 6988 is at -0.442806 2.463090 1.957595 ESP Fit Center 6989 is at -0.442806 2.047141 1.957595 ESP Fit Center 6990 is at -0.162153 3.561460 1.630277 ESP Fit Center 6991 is at -0.430196 3.242019 1.630277 ESP Fit Center 6992 is at -0.617345 2.869375 1.630277 ESP Fit Center 6993 is at -0.713512 2.463615 1.630277 ESP Fit Center 6994 is at -0.544139 3.428088 1.256841 ESP Fit Center 6995 is at -0.427684 3.753118 0.851640 ESP Fit Center 6996 is at -0.691146 3.432089 0.851640 ESP Fit Center 6997 is at -0.344180 3.887535 0.430245 ESP Fit Center 6998 is at -0.627556 3.590339 0.430245 ESP Fit Center 6999 is at -0.427684 3.753118 0.008850 ESP Fit Center 7000 is at -0.691146 3.432089 0.008850 ESP Fit Center 7001 is at -0.886916 3.065829 0.008850 ESP Fit Center 7002 is at -0.264984 3.738120 -0.396351 ESP Fit Center 7003 is at -0.544139 3.428088 -0.396351 ESP Fit Center 7004 is at -0.752734 3.066791 -0.396351 ESP Fit Center 7005 is at 0.172332 3.810475 -0.769787 ESP Fit Center 7006 is at -0.162153 3.561460 -0.769787 ESP Fit Center 7007 is at -0.430196 3.242019 -0.769787 ESP Fit Center 7008 is at -0.617345 2.869375 -0.769787 ESP Fit Center 7009 is at -0.114464 3.219008 -1.097106 ESP Fit Center 7010 is at -0.330584 2.863614 -1.097106 ESP Fit Center 7011 is at 1.961064 4.140538 3.065541 ESP Fit Center 7012 is at 2.072845 3.723366 3.065541 ESP Fit Center 7013 is at 2.182523 5.202090 2.903406 ESP Fit Center 7014 is at 1.856413 4.928451 2.903406 ESP Fit Center 7015 is at 1.643559 3.721299 2.903406 ESP Fit Center 7016 is at 1.856413 3.352626 2.903406 ESP Fit Center 7017 is at 2.182523 3.078987 2.903406 ESP Fit Center 7018 is at 2.384659 5.673482 2.682034 ESP Fit Center 7019 is at 2.001900 5.514938 2.682034 ESP Fit Center 7020 is at 1.421010 3.347028 2.682034 ESP Fit Center 7021 is at 1.673217 3.018346 2.682034 ESP Fit Center 7022 is at 2.001900 2.766139 2.682034 ESP Fit Center 7023 is at 2.384659 2.607595 2.682034 ESP Fit Center 7024 is at 2.795410 2.553518 2.682034 ESP Fit Center 7025 is at 2.370576 6.001859 2.406877 ESP Fit Center 7026 is at 1.967044 5.860658 2.406877 ESP Fit Center 7027 is at 2.899346 6.322410 2.084709 ESP Fit Center 7028 is at 2.484545 6.302651 2.084709 ESP Fit Center 7029 is at 2.080981 6.204747 2.084709 ESP Fit Center 7030 is at 1.703237 6.032237 2.084709 ESP Fit Center 7031 is at 3.618214 6.401174 1.723463 ESP Fit Center 7032 is at 3.213159 6.509708 1.723463 ESP Fit Center 7033 is at 2.795410 6.546256 1.723463 ESP Fit Center 7034 is at 2.377662 6.509708 1.723463 ESP Fit Center 7035 is at 1.972606 6.401174 1.723463 ESP Fit Center 7036 is at 4.199892 6.290259 1.332034 ESP Fit Center 7037 is at 3.826905 6.492109 1.332034 ESP Fit Center 7038 is at 3.425781 6.629815 1.332034 ESP Fit Center 7039 is at 3.007462 6.699621 1.332034 ESP Fit Center 7040 is at 2.583359 6.699621 1.332034 ESP Fit Center 7041 is at 2.165040 6.629815 1.332034 ESP Fit Center 7042 is at 1.763916 6.492109 1.332034 ESP Fit Center 7043 is at 4.952863 5.708020 0.920061 ESP Fit Center 7044 is at 4.681093 6.026221 0.920061 ESP Fit Center 7045 is at 4.362892 6.297991 0.920061 ESP Fit Center 7046 is at 4.006093 6.516638 0.920061 ESP Fit Center 7047 is at 3.212583 6.774465 0.920061 ESP Fit Center 7048 is at 2.795410 6.807297 0.920061 ESP Fit Center 7049 is at 2.378237 6.774465 0.920061 ESP Fit Center 7050 is at 1.971336 6.676777 0.920061 ESP Fit Center 7051 is at 1.584727 6.516638 0.920061 ESP Fit Center 7052 is at 5.369580 4.955184 0.497688 ESP Fit Center 7053 is at 5.215057 5.338582 0.497688 ESP Fit Center 7054 is at 5.003819 5.693899 0.497688 ESP Fit Center 7055 is at 2.079960 6.744023 0.497688 ESP Fit Center 7056 is at 1.690925 6.604298 0.497688 ESP Fit Center 7057 is at 1.327778 6.406825 0.497688 ESP Fit Center 7058 is at 1.584727 6.516638 0.075315 ESP Fit Center 7059 is at 1.227929 6.297991 0.075315 ESP Fit Center 7060 is at 1.390928 6.290259 -0.336657 ESP Fit Center 7061 is at 1.056251 6.029769 -0.336657 ESP Fit Center 7062 is at 1.249045 5.983425 -0.728086 ESP Fit Center 7063 is at 0.952524 5.686904 -0.728086 ESP Fit Center 7064 is at 1.078398 5.490812 -1.089332 ESP Fit Center 7065 is at 0.853886 5.141464 -1.089332 ESP Fit Center 7066 is at 0.699546 4.755940 -1.089332 ESP Fit Center 7067 is at 0.620955 4.348174 -1.089332 ESP Fit Center 7068 is at 0.620955 3.932903 -1.089332 ESP Fit Center 7069 is at 1.302747 5.330898 -1.411500 ESP Fit Center 7070 is at 1.075291 4.968904 -1.411500 ESP Fit Center 7071 is at 0.934089 4.565373 -1.411500 ESP Fit Center 7072 is at 0.886222 4.140538 -1.411500 ESP Fit Center 7073 is at 1.421010 4.934049 -1.686657 ESP Fit Center 7074 is at 1.262466 4.551290 -1.686657 ESP Fit Center 7075 is at 1.643559 4.559778 -1.908029 ESP Fit Center 7076 is at 5.854865 3.984077 1.006233 ESP Fit Center 7077 is at 5.541024 4.256021 1.006233 ESP Fit Center 7078 is at 6.357392 3.679564 0.644988 ESP Fit Center 7079 is at 6.116866 4.023071 0.644988 ESP Fit Center 7080 is at 5.820345 4.319592 0.644988 ESP Fit Center 7081 is at 5.476838 4.560118 0.644988 ESP Fit Center 7082 is at 6.702699 3.310486 0.253559 ESP Fit Center 7083 is at 6.532338 3.698868 0.253559 ESP Fit Center 7084 is at 6.907906 2.893878 -0.158414 ESP Fit Center 7085 is at 6.810217 3.300779 -0.158414 ESP Fit Center 7086 is at 6.973979 2.476705 -0.580787 ESP Fit Center 7087 is at 6.942337 2.888858 -0.580787 ESP Fit Center 7088 is at 5.563823 0.104722 -0.580787 ESP Fit Center 7089 is at 5.910788 0.329415 -0.580787 ESP Fit Center 7090 is at 6.942337 2.064552 -0.580787 ESP Fit Center 7091 is at 6.940738 2.476705 -1.003160 ESP Fit Center 7092 is at 6.907906 2.893878 -1.003160 ESP Fit Center 7093 is at 5.841461 0.319252 -1.003160 ESP Fit Center 7094 is at 6.159662 0.591022 -1.003160 ESP Fit Center 7095 is at 6.431432 0.909224 -1.003160 ESP Fit Center 7096 is at 6.650079 1.266022 -1.003160 ESP Fit Center 7097 is at 6.810217 1.652632 -1.003160 ESP Fit Center 7098 is at 6.907906 2.059532 -1.003160 ESP Fit Center 7099 is at 6.841832 2.476705 -1.415133 ESP Fit Center 7100 is at 6.300376 0.899498 -1.415133 ESP Fit Center 7101 is at 6.532338 1.254543 -1.415133 ESP Fit Center 7102 is at 6.702699 1.642925 -1.415133 ESP Fit Center 7103 is at 6.806810 2.054051 -1.415133 ESP Fit Center 7104 is at 6.679697 2.476705 -1.806561 ESP Fit Center 7105 is at 6.357392 1.273846 -1.806561 ESP Fit Center 7106 is at 6.534615 1.653901 -1.806561 ESP Fit Center 7107 is at 6.643149 2.058957 -1.806561 ESP Fit Center 7108 is at 6.458325 2.476705 -2.167807 ESP Fit Center 7109 is at 6.301856 1.664866 -2.167807 ESP Fit Center 7110 is at 6.418851 2.063315 -2.167807 ESP Fit Center 7111 is at 6.183168 2.476705 -2.489975 ESP Fit Center 7112 is at 6.135300 2.051871 -2.489975 ESP Fit Center 7113 is at 5.861000 2.476705 -2.765133 ESP Fit Center 7114 is at 3.480469 3.851105 -2.765133 ESP Fit Center 7115 is at 3.151787 3.598898 -2.765133 ESP Fit Center 7116 is at 5.806923 2.065954 -2.765133 ESP Fit Center 7117 is at 5.499754 2.476705 -2.986504 ESP Fit Center 7118 is at 3.661092 3.538257 -2.986504 ESP Fit Center 7119 is at 3.334982 3.264618 -2.986504 ESP Fit Center 7120 is at 3.122128 2.895945 -2.986504 ESP Fit Center 7121 is at 5.108325 2.476705 -3.148639 ESP Fit Center 7122 is at 4.996544 2.893878 -3.148639 ESP Fit Center 7123 is at 4.273979 3.311051 -3.148639 ESP Fit Center 7124 is at 3.856806 3.199270 -3.148639 ESP Fit Center 7125 is at 3.551415 2.893878 -3.148639 ESP Fit Center 7126 is at 4.485166 2.842491 -3.247545 ESP Fit Center 7127 is at 4.062793 2.842491 -3.247545 ESP Fit Center 7128 is at 4.703457 6.086122 0.623213 ESP Fit Center 7129 is at 4.424303 6.396154 0.623213 ESP Fit Center 7130 is at 4.086789 6.641372 0.623213 ESP Fit Center 7131 is at 3.705667 6.811058 0.623213 ESP Fit Center 7132 is at 3.297594 6.897797 0.623213 ESP Fit Center 7133 is at 2.880404 6.897797 0.623213 ESP Fit Center 7134 is at 5.046234 5.723863 0.218012 ESP Fit Center 7135 is at 4.850464 6.090123 0.218012 ESP Fit Center 7136 is at 4.587002 6.411152 0.218012 ESP Fit Center 7137 is at 4.265973 6.674614 0.218012 ESP Fit Center 7138 is at 3.899713 6.870384 0.218012 ESP Fit Center 7139 is at 3.502297 6.990939 0.218012 ESP Fit Center 7140 is at 3.088999 7.031645 0.218012 ESP Fit Center 7141 is at 2.675701 6.990939 0.218012 ESP Fit Center 7142 is at 2.278286 6.870384 0.218012 ESP Fit Center 7143 is at 5.209965 5.321932 -0.203383 ESP Fit Center 7144 is at 5.094274 5.715940 -0.203383 ESP Fit Center 7145 is at 4.906107 6.080933 -0.203383 ESP Fit Center 7146 is at 4.652265 6.403720 -0.203383 ESP Fit Center 7147 is at 4.341922 6.672633 -0.203383 ESP Fit Center 7148 is at 3.986296 6.877954 -0.203383 ESP Fit Center 7149 is at 3.598238 7.012262 -0.203383 ESP Fit Center 7150 is at 3.191776 7.070703 -0.203383 ESP Fit Center 7151 is at 2.781599 7.051163 -0.203383 ESP Fit Center 7152 is at 2.382532 6.954351 -0.203383 ESP Fit Center 7153 is at 2.008999 6.783764 -0.203383 ESP Fit Center 7154 is at 1.674500 6.545568 -0.203383 ESP Fit Center 7155 is at 5.046234 5.723863 -0.624778 ESP Fit Center 7156 is at 4.850464 6.090123 -0.624778 ESP Fit Center 7157 is at 4.587002 6.411152 -0.624778 ESP Fit Center 7158 is at 4.265973 6.674614 -0.624778 ESP Fit Center 7159 is at 3.899713 6.870384 -0.624778 ESP Fit Center 7160 is at 3.502297 6.990939 -0.624778 ESP Fit Center 7161 is at 3.088999 7.031645 -0.624778 ESP Fit Center 7162 is at 2.675701 6.990939 -0.624778 ESP Fit Center 7163 is at 2.278286 6.870384 -0.624778 ESP Fit Center 7164 is at 1.912026 6.674614 -0.624778 ESP Fit Center 7165 is at 1.590996 6.411152 -0.624778 ESP Fit Center 7166 is at 4.912052 5.724825 -1.029979 ESP Fit Center 7167 is at 4.703457 6.086122 -1.029979 ESP Fit Center 7168 is at 4.424303 6.396154 -1.029979 ESP Fit Center 7169 is at 4.086789 6.641372 -1.029979 ESP Fit Center 7170 is at 3.705667 6.811058 -1.029979 ESP Fit Center 7171 is at 3.297594 6.897797 -1.029979 ESP Fit Center 7172 is at 2.880404 6.897797 -1.029979 ESP Fit Center 7173 is at 2.472331 6.811058 -1.029979 ESP Fit Center 7174 is at 2.091209 6.641372 -1.029979 ESP Fit Center 7175 is at 1.753696 6.396154 -1.029979 ESP Fit Center 7176 is at 1.474541 6.086122 -1.029979 ESP Fit Center 7177 is at 4.693940 5.719181 -1.403415 ESP Fit Center 7178 is at 4.464795 6.067579 -1.403415 ESP Fit Center 7179 is at 4.161481 6.353742 -1.403415 ESP Fit Center 7180 is at 3.800348 6.562242 -1.403415 ESP Fit Center 7181 is at 3.400867 6.681839 -1.403415 ESP Fit Center 7182 is at 2.984573 6.706085 -1.403415 ESP Fit Center 7183 is at 2.573908 6.633674 -1.403415 ESP Fit Center 7184 is at 2.191012 6.468509 -1.403415 ESP Fit Center 7185 is at 1.856527 6.219494 -1.403415 ESP Fit Center 7186 is at 1.588484 5.900053 -1.403415 ESP Fit Center 7187 is at 1.401335 5.527409 -1.403415 ESP Fit Center 7188 is at 4.393997 5.706736 -1.730734 ESP Fit Center 7189 is at 4.131497 6.029392 -1.730734 ESP Fit Center 7190 is at 3.791680 6.269261 -1.730734 ESP Fit Center 7191 is at 3.399748 6.408554 -1.730734 ESP Fit Center 7192 is at 2.984769 6.436939 -1.730734 ESP Fit Center 7193 is at 2.577521 6.352312 -1.730734 ESP Fit Center 7194 is at 2.208206 6.160949 -1.730734 ESP Fit Center 7195 is at 1.904216 5.877042 -1.730734 ESP Fit Center 7196 is at 1.688096 5.521647 -1.730734 ESP Fit Center 7197 is at 1.575874 5.121123 -1.730734 ESP Fit Center 7198 is at 4.216660 5.323584 -1.999357 ESP Fit Center 7199 is at 4.008277 5.684515 -1.999357 ESP Fit Center 7200 is at 3.689015 5.952407 -1.999357 ESP Fit Center 7201 is at 3.297382 6.094950 -1.999357 ESP Fit Center 7202 is at 2.880616 6.094950 -1.999357 ESP Fit Center 7203 is at 2.488983 5.952407 -1.999357 ESP Fit Center 7204 is at 2.169722 5.684515 -1.999357 ESP Fit Center 7205 is at 1.961338 5.323584 -1.999357 ESP Fit Center 7206 is at 1.888967 4.913149 -1.999357 ESP Fit Center 7207 is at 3.804852 5.326447 -2.198963 ESP Fit Center 7208 is at 3.502297 5.629002 -2.198963 ESP Fit Center 7209 is at 3.088999 5.739745 -2.198963 ESP Fit Center 7210 is at 2.675701 5.629002 -2.198963 ESP Fit Center 7211 is at 2.373146 5.326447 -2.198963 ESP Fit Center 7212 is at 2.262403 4.913149 -2.198963 ESP Fit Center 7213 is at 2.373146 4.499851 -2.198963 ESP Fit Center 7214 is at 3.510394 4.913149 -2.321879 ESP Fit Center 7215 is at 3.299697 5.278088 -2.321879 ESP Fit Center 7216 is at 2.878302 5.278088 -2.321879 ESP Fit Center 7217 is at 2.667604 4.913149 -2.321879 ESP Fit Center 7218 is at 2.878302 4.548210 -2.321879 ESP Fit Center 7219 is at 3.299697 4.548210 -2.321879 ESP Fit Center 7220 is at 3.088999 4.913149 -2.363383 ESP Fit Center 7221 is at 3.402405 4.241320 3.553673 ESP Fit Center 7222 is at 3.823800 4.241320 3.512170 ESP Fit Center 7223 is at 3.613103 4.606259 3.512170 ESP Fit Center 7224 is at 3.191708 4.606259 3.512170 ESP Fit Center 7225 is at 2.981010 4.241320 3.512170 ESP Fit Center 7226 is at 3.191708 3.876381 3.512170 ESP Fit Center 7227 is at 3.613103 3.876381 3.512170 ESP Fit Center 7228 is at 4.229002 4.241320 3.389253 ESP Fit Center 7229 is at 4.118259 4.654618 3.389253 ESP Fit Center 7230 is at 3.815703 4.957173 3.389253 ESP Fit Center 7231 is at 3.402405 5.067916 3.389253 ESP Fit Center 7232 is at 2.989107 4.957173 3.389253 ESP Fit Center 7233 is at 2.686552 4.654618 3.389253 ESP Fit Center 7234 is at 2.575809 4.241320 3.389253 ESP Fit Center 7235 is at 2.686552 3.828022 3.389253 ESP Fit Center 7236 is at 2.989107 3.525466 3.389253 ESP Fit Center 7237 is at 3.402405 3.414723 3.389253 ESP Fit Center 7238 is at 3.815703 3.525466 3.389253 ESP Fit Center 7239 is at 4.118259 3.828022 3.389253 ESP Fit Center 7240 is at 4.602437 4.241320 3.189648 ESP Fit Center 7241 is at 4.530066 4.651755 3.189648 ESP Fit Center 7242 is at 4.321683 5.012685 3.189648 ESP Fit Center 7243 is at 4.002421 5.280578 3.189648 ESP Fit Center 7244 is at 3.610789 5.423120 3.189648 ESP Fit Center 7245 is at 3.194022 5.423120 3.189648 ESP Fit Center 7246 is at 2.802389 5.280578 3.189648 ESP Fit Center 7247 is at 2.483128 5.012685 3.189648 ESP Fit Center 7248 is at 2.274744 4.651755 3.189648 ESP Fit Center 7249 is at 2.202374 4.241320 3.189648 ESP Fit Center 7250 is at 2.274744 3.830885 3.189648 ESP Fit Center 7251 is at 2.483128 3.469954 3.189648 ESP Fit Center 7252 is at 2.802389 3.202062 3.189648 ESP Fit Center 7253 is at 3.194022 3.059519 3.189648 ESP Fit Center 7254 is at 3.610789 3.059519 3.189648 ESP Fit Center 7255 is at 4.002421 3.202062 3.189648 ESP Fit Center 7256 is at 4.321683 3.469954 3.189648 ESP Fit Center 7257 is at 4.530066 3.830885 3.189648 ESP Fit Center 7258 is at 4.929756 4.241320 2.921024 ESP Fit Center 7259 is at 4.873118 4.653394 2.921024 ESP Fit Center 7260 is at 4.707403 5.034907 2.921024 ESP Fit Center 7261 is at 4.444903 5.357562 2.921024 ESP Fit Center 7262 is at 4.105086 5.597432 2.921024 ESP Fit Center 7263 is at 3.713154 5.736724 2.921024 ESP Fit Center 7264 is at 3.298175 5.765110 2.921024 ESP Fit Center 7265 is at 2.890927 5.680482 2.921024 ESP Fit Center 7266 is at 2.521612 5.489119 2.921024 ESP Fit Center 7267 is at 2.217622 5.205212 2.921024 ESP Fit Center 7268 is at 2.890927 2.802157 2.921024 ESP Fit Center 7269 is at 3.298175 2.717530 2.921024 ESP Fit Center 7270 is at 3.713154 2.745915 2.921024 ESP Fit Center 7271 is at 4.105086 2.885208 2.921024 ESP Fit Center 7272 is at 4.444903 3.125077 2.921024 ESP Fit Center 7273 is at 4.707403 3.447733 2.921024 ESP Fit Center 7274 is at 4.873118 3.829245 2.921024 ESP Fit Center 7275 is at 5.198380 4.241320 2.593705 ESP Fit Center 7276 is at 5.149969 4.655500 2.593705 ESP Fit Center 7277 is at 5.007347 5.047351 2.593705 ESP Fit Center 7278 is at 4.778202 5.395750 2.593705 ESP Fit Center 7279 is at 4.474887 5.681912 2.593705 ESP Fit Center 7280 is at 4.113754 5.890412 2.593705 ESP Fit Center 7281 is at 3.714273 6.010009 2.593705 ESP Fit Center 7282 is at 3.297979 6.034256 2.593705 ESP Fit Center 7283 is at 2.887314 5.961844 2.593705 ESP Fit Center 7284 is at 3.297979 2.448384 2.593705 ESP Fit Center 7285 is at 3.714273 2.472630 2.593705 ESP Fit Center 7286 is at 4.113754 2.592227 2.593705 ESP Fit Center 7287 is at 4.474887 2.800727 2.593705 ESP Fit Center 7288 is at 4.778202 3.086890 2.593705 ESP Fit Center 7289 is at 5.007347 3.435288 2.593705 ESP Fit Center 7290 is at 5.149969 3.827139 2.593705 ESP Fit Center 7291 is at 5.397985 4.241320 2.220270 ESP Fit Center 7292 is at 5.354377 4.656224 2.220270 ESP Fit Center 7293 is at 5.225458 5.052995 2.220270 ESP Fit Center 7294 is at 5.016863 5.414292 2.220270 ESP Fit Center 7295 is at 4.737709 5.724324 2.220270 ESP Fit Center 7296 is at 4.400195 5.969542 2.220270 ESP Fit Center 7297 is at 4.019073 6.139229 2.220270 ESP Fit Center 7298 is at 3.611000 6.225967 2.220270 ESP Fit Center 7299 is at 3.193810 6.225967 2.220270 ESP Fit Center 7300 is at 5.016863 3.068347 2.220270 ESP Fit Center 7301 is at 5.225458 3.429644 2.220270 ESP Fit Center 7302 is at 5.354377 3.826415 2.220270 ESP Fit Center 7303 is at 5.520902 4.241320 1.815069 ESP Fit Center 7304 is at 5.480195 4.654618 1.815069 ESP Fit Center 7305 is at 5.359641 5.052033 1.815069 ESP Fit Center 7306 is at 5.163871 5.418293 1.815069 ESP Fit Center 7307 is at 4.900408 5.739323 1.815069 ESP Fit Center 7308 is at 4.579379 6.002785 1.815069 ESP Fit Center 7309 is at 4.213119 6.198555 1.815069 ESP Fit Center 7310 is at 3.815703 6.319110 1.815069 ESP Fit Center 7311 is at 5.480195 3.828022 1.815069 ESP Fit Center 7312 is at 5.562405 4.241320 1.393673 ESP Fit Center 7313 is at 5.523371 4.650102 1.393673 ESP Fit Center 7314 is at 5.407680 5.044111 1.393673 ESP Fit Center 7315 is at 5.219513 5.409104 1.393673 ESP Fit Center 7316 is at 4.965671 5.731890 1.393673 ESP Fit Center 7317 is at 4.655328 6.000804 1.393673 ESP Fit Center 7318 is at 4.299702 6.206125 1.393673 ESP Fit Center 7319 is at 5.523371 3.832537 1.393673 ESP Fit Center 7320 is at 5.480195 4.654618 0.972278 ESP Fit Center 7321 is at 5.359641 5.052033 0.972278 ESP Fit Center 7322 is at 5.163871 5.418293 0.972278 ESP Fit Center 7323 is at 1.549490 4.666627 2.884546 ESP Fit Center 7324 is at 1.338792 4.301688 2.884546 ESP Fit Center 7325 is at 1.549490 3.936749 2.884546 ESP Fit Center 7326 is at 1.346889 5.017541 2.761629 ESP Fit Center 7327 is at 1.044334 4.714986 2.761629 ESP Fit Center 7328 is at 0.933591 4.301688 2.761629 ESP Fit Center 7329 is at 1.044334 3.888390 2.761629 ESP Fit Center 7330 is at 1.346889 3.585835 2.761629 ESP Fit Center 7331 is at 1.551804 5.483488 2.562024 ESP Fit Center 7332 is at 1.160171 5.340946 2.562024 ESP Fit Center 7333 is at 0.840910 5.073053 2.562024 ESP Fit Center 7334 is at 0.632526 4.712123 2.562024 ESP Fit Center 7335 is at 0.560156 4.301688 2.562024 ESP Fit Center 7336 is at 0.632526 3.891253 2.562024 ESP Fit Center 7337 is at 0.840910 3.530322 2.562024 ESP Fit Center 7338 is at 1.160171 3.262430 2.562024 ESP Fit Center 7339 is at 1.655957 5.825478 2.293400 ESP Fit Center 7340 is at 1.248709 5.740851 2.293400 ESP Fit Center 7341 is at 0.879394 5.549487 2.293400 ESP Fit Center 7342 is at 0.575404 5.265581 2.293400 ESP Fit Center 7343 is at 0.359284 4.910186 2.293400 ESP Fit Center 7344 is at 0.247062 4.509662 2.293400 ESP Fit Center 7345 is at 0.247062 4.093714 2.293400 ESP Fit Center 7346 is at 0.359284 3.693190 2.293400 ESP Fit Center 7347 is at 0.575404 3.337795 2.293400 ESP Fit Center 7348 is at 1.245096 6.022213 1.966081 ESP Fit Center 7349 is at 0.862200 5.857047 1.966081 ESP Fit Center 7350 is at 0.527715 5.608032 1.966081 ESP Fit Center 7351 is at 0.259673 5.288592 1.966081 ESP Fit Center 7352 is at 0.072523 4.915947 1.966081 ESP Fit Center 7353 is at -0.023643 4.510188 1.966081 ESP Fit Center 7354 is at -0.023643 4.093188 1.966081 ESP Fit Center 7355 is at 0.072523 3.687429 1.966081 ESP Fit Center 7356 is at 1.551592 6.286336 1.592646 ESP Fit Center 7357 is at 1.143519 6.199597 1.592646 ESP Fit Center 7358 is at 0.762397 6.029911 1.592646 ESP Fit Center 7359 is at 0.424884 5.784693 1.592646 ESP Fit Center 7360 is at 0.145729 5.474660 1.592646 ESP Fit Center 7361 is at -0.062866 5.113363 1.592646 ESP Fit Center 7362 is at -0.191784 4.716592 1.592646 ESP Fit Center 7363 is at -0.235393 4.301688 1.592646 ESP Fit Center 7364 is at -0.191784 3.886784 1.592646 ESP Fit Center 7365 is at 1.346889 6.379478 1.187444 ESP Fit Center 7366 is at 0.949474 6.258923 1.187444 ESP Fit Center 7367 is at 0.583214 6.063153 1.187444 ESP Fit Center 7368 is at 0.262184 5.799691 1.187444 ESP Fit Center 7369 is at -0.001278 5.478661 1.187444 ESP Fit Center 7370 is at -0.197048 5.112401 1.187444 ESP Fit Center 7371 is at -0.317603 4.714986 1.187444 ESP Fit Center 7372 is at -0.358309 4.301688 1.187444 ESP Fit Center 7373 is at -0.317603 3.888390 1.187444 ESP Fit Center 7374 is at 1.053720 6.342890 0.766049 ESP Fit Center 7375 is at 0.680187 6.172303 0.766049 ESP Fit Center 7376 is at 0.345688 5.934107 0.766049 ESP Fit Center 7377 is at 0.062313 5.636911 0.766049 ESP Fit Center 7378 is at -0.159697 5.291457 0.766049 ESP Fit Center 7379 is at -0.312318 4.910230 0.766049 ESP Fit Center 7380 is at -0.390032 4.507009 0.766049 ESP Fit Center 7381 is at -0.390032 4.096367 0.766049 ESP Fit Center 7382 is at 0.949474 6.258923 0.344654 ESP Fit Center 7383 is at 0.583214 6.063153 0.344654 ESP Fit Center 7384 is at 0.262184 5.799691 0.344654 ESP Fit Center 7385 is at -0.001278 5.478661 0.344654 ESP Fit Center 7386 is at -0.197048 5.112401 0.344654 ESP Fit Center 7387 is at -0.317603 4.714986 0.344654 ESP Fit Center 7388 is at -0.358309 4.301688 0.344654 ESP Fit Center 7389 is at 0.762397 6.029911 -0.060547 ESP Fit Center 7390 is at 0.424884 5.784693 -0.060547 ESP Fit Center 7391 is at 0.145729 5.474660 -0.060547 ESP Fit Center 7392 is at -0.062866 5.113363 -0.060547 ESP Fit Center 7393 is at -0.191784 4.716592 -0.060547 ESP Fit Center 7394 is at -0.235393 4.301688 -0.060547 ESP Fit Center 7395 is at 0.862200 5.857047 -0.433982 ESP Fit Center 7396 is at 0.527715 5.608032 -0.433982 ESP Fit Center 7397 is at 0.259673 5.288592 -0.433982 ESP Fit Center 7398 is at 0.072523 4.915947 -0.433982 ESP Fit Center 7399 is at -0.023643 4.510188 -0.433982 ESP Fit Center 7400 is at -0.023643 4.093188 -0.433982 ESP Fit Center 7401 is at 0.575404 5.265581 -0.761301 ESP Fit Center 7402 is at 0.359284 4.910186 -0.761301 ESP Fit Center 7403 is at 0.247062 4.509662 -0.761301 ESP Fit Center 7404 is at 0.247062 4.093714 -0.761301 ESP Fit Center 7405 is at 0.632526 4.712123 -1.029925 ESP Fit Center 7406 is at 0.560156 4.301688 -1.029925 ESP Fit Center 7407 is at 5.787807 4.471884 0.525106 ESP Fit Center 7408 is at 5.447989 4.711753 0.525106 ESP Fit Center 7409 is at 6.350250 4.161673 0.197787 ESP Fit Center 7410 is at 6.121105 4.510071 0.197787 ESP Fit Center 7411 is at 5.817790 4.796234 0.197787 ESP Fit Center 7412 is at 5.456658 5.004734 0.197787 ESP Fit Center 7413 is at 6.697280 3.770545 -0.175648 ESP Fit Center 7414 is at 6.568361 4.167316 -0.175648 ESP Fit Center 7415 is at 6.359767 4.528613 -0.175648 ESP Fit Center 7416 is at 6.080612 4.838646 -0.175648 ESP Fit Center 7417 is at 5.743098 5.083864 -0.175648 ESP Fit Center 7418 is at 5.361977 5.253550 -0.175648 ESP Fit Center 7419 is at 6.863805 3.355641 -0.580849 ESP Fit Center 7420 is at 6.823098 3.768939 -0.580849 ESP Fit Center 7421 is at 6.702544 4.166354 -0.580849 ESP Fit Center 7422 is at 6.506774 4.532614 -0.580849 ESP Fit Center 7423 is at 6.243312 4.853644 -0.580849 ESP Fit Center 7424 is at 5.922282 5.117106 -0.580849 ESP Fit Center 7425 is at 5.556022 5.312876 -0.580849 ESP Fit Center 7426 is at 5.158607 5.433431 -0.580849 ESP Fit Center 7427 is at 6.905309 3.355641 -1.002244 ESP Fit Center 7428 is at 6.866275 3.764424 -1.002244 ESP Fit Center 7429 is at 6.750583 4.158432 -1.002244 ESP Fit Center 7430 is at 6.562416 4.523425 -1.002244 ESP Fit Center 7431 is at 6.308574 4.846212 -1.002244 ESP Fit Center 7432 is at 5.998232 5.115125 -1.002244 ESP Fit Center 7433 is at 5.642605 5.320446 -1.002244 ESP Fit Center 7434 is at 5.254548 5.454754 -1.002244 ESP Fit Center 7435 is at 6.863805 3.355641 -1.423639 ESP Fit Center 7436 is at 6.823098 3.768939 -1.423639 ESP Fit Center 7437 is at 6.702544 4.166354 -1.423639 ESP Fit Center 7438 is at 6.506774 4.532614 -1.423639 ESP Fit Center 7439 is at 6.243312 4.853644 -1.423639 ESP Fit Center 7440 is at 5.922282 5.117106 -1.423639 ESP Fit Center 7441 is at 5.556022 5.312876 -1.423639 ESP Fit Center 7442 is at 5.158607 5.433431 -1.423639 ESP Fit Center 7443 is at 6.823098 2.942343 -1.423639 ESP Fit Center 7444 is at 6.740888 3.355641 -1.828840 ESP Fit Center 7445 is at 6.697280 3.770545 -1.828840 ESP Fit Center 7446 is at 6.568361 4.167316 -1.828840 ESP Fit Center 7447 is at 6.359767 4.528613 -1.828840 ESP Fit Center 7448 is at 6.080612 4.838646 -1.828840 ESP Fit Center 7449 is at 5.743098 5.083864 -1.828840 ESP Fit Center 7450 is at 5.361977 5.253550 -1.828840 ESP Fit Center 7451 is at 4.953903 5.340289 -1.828840 ESP Fit Center 7452 is at 4.536714 5.340289 -1.828840 ESP Fit Center 7453 is at 6.697280 2.940737 -1.828840 ESP Fit Center 7454 is at 6.541283 3.355641 -2.202276 ESP Fit Center 7455 is at 6.492872 3.769821 -2.202276 ESP Fit Center 7456 is at 6.350250 4.161673 -2.202276 ESP Fit Center 7457 is at 6.121105 4.510071 -2.202276 ESP Fit Center 7458 is at 5.817790 4.796234 -2.202276 ESP Fit Center 7459 is at 5.456658 5.004734 -2.202276 ESP Fit Center 7460 is at 5.057176 5.124331 -2.202276 ESP Fit Center 7461 is at 4.640882 5.148577 -2.202276 ESP Fit Center 7462 is at 4.230217 5.076166 -2.202276 ESP Fit Center 7463 is at 6.492872 2.941461 -2.202276 ESP Fit Center 7464 is at 6.272659 3.355641 -2.529595 ESP Fit Center 7465 is at 6.216021 3.767715 -2.529595 ESP Fit Center 7466 is at 6.050307 4.149228 -2.529595 ESP Fit Center 7467 is at 5.787807 4.471884 -2.529595 ESP Fit Center 7468 is at 5.447989 4.711753 -2.529595 ESP Fit Center 7469 is at 5.056057 4.851046 -2.529595 ESP Fit Center 7470 is at 4.641078 4.879431 -2.529595 ESP Fit Center 7471 is at 4.233830 4.794804 -2.529595 ESP Fit Center 7472 is at 3.864516 4.603441 -2.529595 ESP Fit Center 7473 is at 3.560525 4.319534 -2.529595 ESP Fit Center 7474 is at 6.216021 2.943567 -2.529595 ESP Fit Center 7475 is at 5.945340 3.355641 -2.798219 ESP Fit Center 7476 is at 5.872970 3.766076 -2.798219 ESP Fit Center 7477 is at 5.664586 4.127007 -2.798219 ESP Fit Center 7478 is at 5.345324 4.394899 -2.798219 ESP Fit Center 7479 is at 4.953692 4.537442 -2.798219 ESP Fit Center 7480 is at 4.536925 4.537442 -2.798219 ESP Fit Center 7481 is at 4.145293 4.394899 -2.798219 ESP Fit Center 7482 is at 3.826031 4.127007 -2.798219 ESP Fit Center 7483 is at 5.872970 2.945206 -2.798219 ESP Fit Center 7484 is at 5.571905 3.355641 -2.997824 ESP Fit Center 7485 is at 5.461162 3.768939 -2.997824 ESP Fit Center 7486 is at 5.158607 4.071494 -2.997824 ESP Fit Center 7487 is at 4.745309 4.182237 -2.997824 ESP Fit Center 7488 is at 4.332010 4.071494 -2.997824 ESP Fit Center 7489 is at 4.029455 3.768939 -2.997824 ESP Fit Center 7490 is at 5.461162 2.942343 -2.997824 ESP Fit Center 7491 is at 5.166704 3.355641 -3.120740 ESP Fit Center 7492 is at 4.956006 3.720580 -3.120740 ESP Fit Center 7493 is at 4.534611 3.720580 -3.120740 ESP Fit Center 7494 is at 4.745309 3.355641 -3.162244 ESP Fit Center 7495 is at 5.754696 0.227197 -1.342229 ESP Fit Center 7496 is at 6.008538 0.549984 -1.342229 ESP Fit Center 7497 is at 5.689434 0.219765 -1.763624 ESP Fit Center 7498 is at 5.952896 0.540795 -1.763624 ESP Fit Center 7499 is at 6.148666 0.907055 -1.763624 ESP Fit Center 7500 is at 5.526734 0.234763 -2.168825 ESP Fit Center 7501 is at 5.805888 0.544796 -2.168825 ESP Fit Center 7502 is at 6.014483 0.906093 -2.168825 ESP Fit Center 7503 is at 6.143402 1.302864 -2.168825 ESP Fit Center 7504 is at 5.987405 1.717768 -2.542261 ESP Fit Center 7505 is at 5.263912 0.277175 -2.542261 ESP Fit Center 7506 is at 5.567227 0.563338 -2.542261 ESP Fit Center 7507 is at 5.796372 0.911736 -2.542261 ESP Fit Center 7508 is at 5.938994 1.303588 -2.542261 ESP Fit Center 7509 is at 5.718781 1.717768 -2.869580 ESP Fit Center 7510 is at 2.790527 2.326266 -2.869580 ESP Fit Center 7511 is at 2.678306 1.925742 -2.869580 ESP Fit Center 7512 is at 2.678306 1.509794 -2.869580 ESP Fit Center 7513 is at 2.790527 1.109270 -2.869580 ESP Fit Center 7514 is at 3.006647 0.753875 -2.869580 ESP Fit Center 7515 is at 3.310637 0.469969 -2.869580 ESP Fit Center 7516 is at 3.679952 0.278605 -2.869580 ESP Fit Center 7517 is at 4.087200 0.193978 -2.869580 ESP Fit Center 7518 is at 4.502179 0.222363 -2.869580 ESP Fit Center 7519 is at 4.894111 0.361656 -2.869580 ESP Fit Center 7520 is at 5.233928 0.601525 -2.869580 ESP Fit Center 7521 is at 5.496429 0.924181 -2.869580 ESP Fit Center 7522 is at 5.662143 1.305694 -2.869580 ESP Fit Center 7523 is at 5.391462 1.717768 -3.138203 ESP Fit Center 7524 is at 5.319091 2.128203 -3.138203 ESP Fit Center 7525 is at 3.272153 2.489134 -3.138203 ESP Fit Center 7526 is at 3.063770 2.128203 -3.138203 ESP Fit Center 7527 is at 2.991399 1.717768 -3.138203 ESP Fit Center 7528 is at 3.063770 1.307333 -3.138203 ESP Fit Center 7529 is at 3.272153 0.946403 -3.138203 ESP Fit Center 7530 is at 3.591415 0.678510 -3.138203 ESP Fit Center 7531 is at 3.983047 0.535967 -3.138203 ESP Fit Center 7532 is at 4.399814 0.535967 -3.138203 ESP Fit Center 7533 is at 4.791446 0.678510 -3.138203 ESP Fit Center 7534 is at 5.110708 0.946403 -3.138203 ESP Fit Center 7535 is at 5.319091 1.307333 -3.138203 ESP Fit Center 7536 is at 5.018027 1.717768 -3.337809 ESP Fit Center 7537 is at 4.907284 2.131066 -3.337809 ESP Fit Center 7538 is at 4.604729 2.433621 -3.337809 ESP Fit Center 7539 is at 4.191431 2.544364 -3.337809 ESP Fit Center 7540 is at 3.778132 2.433621 -3.337809 ESP Fit Center 7541 is at 3.475577 2.131066 -3.337809 ESP Fit Center 7542 is at 3.364834 1.717768 -3.337809 ESP Fit Center 7543 is at 3.475577 1.304470 -3.337809 ESP Fit Center 7544 is at 3.778132 1.001915 -3.337809 ESP Fit Center 7545 is at 4.191431 0.891172 -3.337809 ESP Fit Center 7546 is at 4.604729 1.001915 -3.337809 ESP Fit Center 7547 is at 4.907284 1.304470 -3.337809 ESP Fit Center 7548 is at 4.612826 1.717768 -3.460725 ESP Fit Center 7549 is at 4.402128 2.082707 -3.460725 ESP Fit Center 7550 is at 3.980733 2.082707 -3.460725 ESP Fit Center 7551 is at 3.770035 1.717768 -3.460725 ESP Fit Center 7552 is at 3.980733 1.352829 -3.460725 ESP Fit Center 7553 is at 4.402128 1.352829 -3.460725 ESP Fit Center 7554 is at 4.191431 1.717768 -3.502229 ESP Fit Center 7555 is at 4.895885 2.095835 2.384313 ESP Fit Center 7556 is at 5.317280 2.095835 2.342809 ESP Fit Center 7557 is at 5.106583 2.460774 2.342809 ESP Fit Center 7558 is at 4.685188 2.460774 2.342809 ESP Fit Center 7559 is at 4.474490 2.095835 2.342809 ESP Fit Center 7560 is at 4.685188 1.730897 2.342809 ESP Fit Center 7561 is at 5.106583 1.730897 2.342809 ESP Fit Center 7562 is at 5.722481 2.095835 2.219893 ESP Fit Center 7563 is at 5.611738 2.509134 2.219893 ESP Fit Center 7564 is at 5.309183 2.811689 2.219893 ESP Fit Center 7565 is at 4.180032 1.682537 2.219893 ESP Fit Center 7566 is at 4.482587 1.379982 2.219893 ESP Fit Center 7567 is at 4.895885 1.269239 2.219893 ESP Fit Center 7568 is at 5.309183 1.379982 2.219893 ESP Fit Center 7569 is at 5.611738 1.682537 2.219893 ESP Fit Center 7570 is at 6.095917 2.095835 2.020287 ESP Fit Center 7571 is at 6.023546 2.506270 2.020287 ESP Fit Center 7572 is at 5.815163 2.867201 2.020287 ESP Fit Center 7573 is at 5.495901 3.135093 2.020287 ESP Fit Center 7574 is at 3.976607 1.324470 2.020287 ESP Fit Center 7575 is at 4.295869 1.056578 2.020287 ESP Fit Center 7576 is at 4.687502 0.914035 2.020287 ESP Fit Center 7577 is at 5.104268 0.914035 2.020287 ESP Fit Center 7578 is at 5.495901 1.056578 2.020287 ESP Fit Center 7579 is at 5.815163 1.324470 2.020287 ESP Fit Center 7580 is at 6.023546 1.685400 2.020287 ESP Fit Center 7581 is at 6.423236 2.095835 1.751664 ESP Fit Center 7582 is at 6.366597 2.507910 1.751664 ESP Fit Center 7583 is at 6.200883 2.889422 1.751664 ESP Fit Center 7584 is at 5.938383 3.212078 1.751664 ESP Fit Center 7585 is at 5.598566 3.451948 1.751664 ESP Fit Center 7586 is at 4.015092 0.848036 1.751664 ESP Fit Center 7587 is at 4.384407 0.656673 1.751664 ESP Fit Center 7588 is at 4.791655 0.572045 1.751664 ESP Fit Center 7589 is at 5.206634 0.600431 1.751664 ESP Fit Center 7590 is at 5.598566 0.739723 1.751664 ESP Fit Center 7591 is at 5.938383 0.979593 1.751664 ESP Fit Center 7592 is at 6.200883 1.302249 1.751664 ESP Fit Center 7593 is at 6.366597 1.683761 1.751664 ESP Fit Center 7594 is at 6.691859 2.095835 1.424345 ESP Fit Center 7595 is at 6.643449 2.510016 1.424345 ESP Fit Center 7596 is at 6.500826 2.901867 1.424345 ESP Fit Center 7597 is at 6.271681 3.250266 1.424345 ESP Fit Center 7598 is at 5.968367 3.536428 1.424345 ESP Fit Center 7599 is at 5.607234 3.744928 1.424345 ESP Fit Center 7600 is at 4.380794 0.375311 1.424345 ESP Fit Center 7601 is at 4.791458 0.302900 1.424345 ESP Fit Center 7602 is at 5.207753 0.327146 1.424345 ESP Fit Center 7603 is at 5.607234 0.446743 1.424345 ESP Fit Center 7604 is at 5.968367 0.655243 1.424345 ESP Fit Center 7605 is at 6.271681 0.941405 1.424345 ESP Fit Center 7606 is at 6.500826 1.289804 1.424345 ESP Fit Center 7607 is at 6.643449 1.681655 1.424345 ESP Fit Center 7608 is at 6.891465 2.095835 1.050909 ESP Fit Center 7609 is at 6.847857 2.510740 1.050909 ESP Fit Center 7610 is at 6.718938 2.907511 1.050909 ESP Fit Center 7611 is at 6.510343 3.268808 1.050909 ESP Fit Center 7612 is at 6.231189 3.578840 1.050909 ESP Fit Center 7613 is at 4.687290 0.111188 1.050909 ESP Fit Center 7614 is at 5.104480 0.111188 1.050909 ESP Fit Center 7615 is at 5.512553 0.197926 1.050909 ESP Fit Center 7616 is at 5.893675 0.367613 1.050909 ESP Fit Center 7617 is at 6.231189 0.612831 1.050909 ESP Fit Center 7618 is at 6.510343 0.922863 1.050909 ESP Fit Center 7619 is at 6.718938 1.284160 1.050909 ESP Fit Center 7620 is at 6.847857 1.680931 1.050909 ESP Fit Center 7621 is at 7.014381 2.095835 0.645708 ESP Fit Center 7622 is at 6.973675 2.509134 0.645708 ESP Fit Center 7623 is at 6.853120 2.906549 0.645708 ESP Fit Center 7624 is at 6.657350 3.272809 0.645708 ESP Fit Center 7625 is at 4.895885 -0.022661 0.645708 ESP Fit Center 7626 is at 5.309183 0.018046 0.645708 ESP Fit Center 7627 is at 5.706598 0.138600 0.645708 ESP Fit Center 7628 is at 6.072859 0.334370 0.645708 ESP Fit Center 7629 is at 6.393888 0.597832 0.645708 ESP Fit Center 7630 is at 6.657350 0.918862 0.645708 ESP Fit Center 7631 is at 6.853120 1.285122 0.645708 ESP Fit Center 7632 is at 6.973675 1.682537 0.645708 ESP Fit Center 7633 is at 7.055885 2.095835 0.224313 ESP Fit Center 7634 is at 7.016851 2.504618 0.224313 ESP Fit Center 7635 is at 6.901160 2.898626 0.224313 ESP Fit Center 7636 is at 5.405124 -0.003278 0.224313 ESP Fit Center 7637 is at 5.793182 0.131030 0.224313 ESP Fit Center 7638 is at 6.148808 0.336351 0.224313 ESP Fit Center 7639 is at 6.459151 0.605265 0.224313 ESP Fit Center 7640 is at 6.712993 0.928051 0.224313 ESP Fit Center 7641 is at 6.901160 1.293045 0.224313 ESP Fit Center 7642 is at 7.016851 1.687053 0.224313 ESP Fit Center 7643 is at 7.014381 2.095835 -0.197082 ESP Fit Center 7644 is at 6.973675 2.509134 -0.197082 ESP Fit Center 7645 is at 5.706598 0.138600 -0.197082 ESP Fit Center 7646 is at 6.072859 0.334370 -0.197082 ESP Fit Center 7647 is at 6.393888 0.597832 -0.197082 ESP Fit Center 7648 is at 6.657350 0.918862 -0.197082 ESP Fit Center 7649 is at 6.853120 1.285122 -0.197082 ESP Fit Center 7650 is at 6.973675 1.682537 -0.197082 ESP Fit Center 7651 is at 6.231189 0.612831 -0.602283 ESP Fit Center 7652 is at 6.510343 0.922863 -0.602283 ESP Fit Center 7653 is at 6.718938 1.284160 -0.602283 ESP Fit Center 7654 is at 4.130399 -4.702245 0.757666 ESP Fit Center 7655 is at 6.002469 -1.311765 0.372413 ESP Fit Center 7656 is at 5.842516 -0.925606 0.372413 ESP Fit Center 7657 is at 6.176110 -1.320487 -0.003143 ESP Fit Center 7658 is at 6.028687 -0.935033 -0.003143 ESP Fit Center 7659 is at 6.292650 -1.325264 -0.397414 ESP Fit Center 7660 is at 6.152495 -0.940192 -0.397414 ESP Fit Center 7661 is at 6.346244 -1.309896 -0.803055 ESP Fit Center 7662 is at 6.203429 -0.917515 -0.803055 ESP Fit Center 7663 is at 3.573636 -5.126063 -0.803055 ESP Fit Center 7664 is at 6.346244 -1.309896 -1.212509 ESP Fit Center 7665 is at 3.156327 -5.111490 -1.212509 ESP Fit Center 7666 is at 3.573636 -5.126063 -1.212509 ESP Fit Center 7667 is at 6.377849 -1.726094 -1.618150 ESP Fit Center 7668 is at 6.292650 -1.325264 -1.618150 ESP Fit Center 7669 is at 2.368867 -4.858253 -1.618150 ESP Fit Center 7670 is at 2.758596 -4.984884 -1.618150 ESP Fit Center 7671 is at 3.162155 -5.056042 -1.618150 ESP Fit Center 7672 is at 3.571690 -5.070343 -1.618150 ESP Fit Center 7673 is at 6.265840 -1.723297 -2.012421 ESP Fit Center 7674 is at 6.176110 -1.320487 -2.012421 ESP Fit Center 7675 is at 2.556469 -4.810260 -2.012421 ESP Fit Center 7676 is at 2.955734 -4.914641 -2.012421 ESP Fit Center 7677 is at 3.365942 -4.959777 -2.012421 ESP Fit Center 7678 is at 3.778350 -4.944705 -2.012421 ESP Fit Center 7679 is at 6.132837 -2.134880 -2.387977 ESP Fit Center 7680 is at 6.100043 -1.718193 -2.387977 ESP Fit Center 7681 is at 6.002469 -1.311765 -2.387977 ESP Fit Center 7682 is at 5.842516 -0.925606 -2.387977 ESP Fit Center 7683 is at 3.469182 -4.798536 -2.387977 ESP Fit Center 7684 is at 3.885869 -4.765742 -2.387977 ESP Fit Center 7685 is at 4.292296 -4.668167 -2.387977 ESP Fit Center 7686 is at 5.920091 -2.134880 -2.737823 ESP Fit Center 7687 is at 5.884837 -1.720674 -2.737823 ESP Fit Center 7688 is at 5.780089 -1.318385 -2.737823 ESP Fit Center 7689 is at 5.608860 -0.939584 -2.737823 ESP Fit Center 7690 is at 3.985537 -4.530780 -2.737823 ESP Fit Center 7691 is at 4.383019 -4.409052 -2.737823 ESP Fit Center 7692 is at 4.754211 -4.221901 -2.737823 ESP Fit Center 7693 is at 5.780089 -2.951376 -2.737823 ESP Fit Center 7694 is at 5.884837 -2.549086 -2.737823 ESP Fit Center 7695 is at 5.661689 -2.134880 -3.055441 ESP Fit Center 7696 is at 5.622068 -1.719945 -3.055441 ESP Fit Center 7697 is at 5.504636 -1.320007 -3.055441 ESP Fit Center 7698 is at 5.313637 -0.949521 -3.055441 ESP Fit Center 7699 is at 2.033394 -0.477893 -3.055441 ESP Fit Center 7700 is at 4.379982 -4.129256 -3.055441 ESP Fit Center 7701 is at 4.740961 -3.920844 -3.055441 ESP Fit Center 7702 is at 5.055974 -3.647884 -3.055441 ESP Fit Center 7703 is at 5.313637 -3.320239 -3.055441 ESP Fit Center 7704 is at 5.504636 -2.949753 -3.055441 ESP Fit Center 7705 is at 5.622068 -2.549815 -3.055441 ESP Fit Center 7706 is at 5.362445 -2.134880 -3.334916 ESP Fit Center 7707 is at 5.318182 -1.727884 -3.334916 ESP Fit Center 7708 is at 5.187461 -1.339919 -3.334916 ESP Fit Center 7709 is at 4.976396 -0.989126 -3.334916 ESP Fit Center 7710 is at 4.694855 -0.691906 -3.334916 ESP Fit Center 7711 is at 3.571681 -0.244393 -3.334916 ESP Fit Center 7712 is at 3.162886 -0.266557 -3.334916 ESP Fit Center 7713 is at 2.768412 -0.376082 -3.334916 ESP Fit Center 7714 is at 2.406706 -0.567847 -3.334916 ESP Fit Center 7715 is at 4.694855 -3.577854 -3.334916 ESP Fit Center 7716 is at 4.976396 -3.280635 -3.334916 ESP Fit Center 7717 is at 5.187461 -2.929841 -3.334916 ESP Fit Center 7718 is at 5.318182 -2.541876 -3.334916 ESP Fit Center 7719 is at 5.027933 -2.134880 -3.571040 ESP Fit Center 7720 is at 4.970131 -1.714334 -3.571040 ESP Fit Center 7721 is at 4.801009 -1.324978 -3.571040 ESP Fit Center 7722 is at 4.533113 -0.995688 -3.571040 ESP Fit Center 7723 is at 4.186309 -0.750887 -3.571040 ESP Fit Center 7724 is at 3.786319 -0.608731 -3.571040 ESP Fit Center 7725 is at 3.362809 -0.579762 -3.571040 ESP Fit Center 7726 is at 2.947187 -0.666129 -3.571040 ESP Fit Center 7727 is at 4.801009 -2.944783 -3.571040 ESP Fit Center 7728 is at 4.970131 -2.555426 -3.571040 ESP Fit Center 7729 is at 4.664385 -2.134880 -3.759416 ESP Fit Center 7730 is at 4.592305 -1.726097 -3.759416 ESP Fit Center 7731 is at 4.384760 -1.366618 -3.759416 ESP Fit Center 7732 is at 4.066783 -1.099804 -3.759416 ESP Fit Center 7733 is at 3.676726 -0.957835 -3.759416 ESP Fit Center 7734 is at 4.592305 -2.543664 -3.759416 ESP Fit Center 7735 is at 3.046709 -1.861784 4.165577 ESP Fit Center 7736 is at 3.464027 -1.861784 4.134303 ESP Fit Center 7737 is at 3.255368 -1.500376 4.134303 ESP Fit Center 7738 is at 2.838050 -1.500376 4.134303 ESP Fit Center 7739 is at 2.629391 -1.861784 4.134303 ESP Fit Center 7740 is at 2.838050 -2.223192 4.134303 ESP Fit Center 7741 is at 3.255368 -2.223192 4.134303 ESP Fit Center 7742 is at 3.872024 -1.861784 4.041181 ESP Fit Center 7743 is at 3.761452 -1.449127 4.041181 ESP Fit Center 7744 is at 3.459366 -1.147041 4.041181 ESP Fit Center 7745 is at 3.046709 -1.036469 4.041181 ESP Fit Center 7746 is at 2.634052 -1.147041 4.041181 ESP Fit Center 7747 is at 2.331966 -1.449127 4.041181 ESP Fit Center 7748 is at 2.221395 -1.861784 4.041181 ESP Fit Center 7749 is at 2.331966 -2.274441 4.041181 ESP Fit Center 7750 is at 2.634052 -2.576527 4.041181 ESP Fit Center 7751 is at 3.046709 -2.687098 4.041181 ESP Fit Center 7752 is at 3.459366 -2.576527 4.041181 ESP Fit Center 7753 is at 3.761452 -2.274441 4.041181 ESP Fit Center 7754 is at 4.261584 -1.861784 3.888290 ESP Fit Center 7755 is at 4.188318 -1.446272 3.888290 ESP Fit Center 7756 is at 3.977357 -1.080878 3.888290 ESP Fit Center 7757 is at 3.654146 -0.809672 3.888290 ESP Fit Center 7758 is at 3.257670 -0.665366 3.888290 ESP Fit Center 7759 is at 2.835748 -0.665366 3.888290 ESP Fit Center 7760 is at 2.439272 -0.809672 3.888290 ESP Fit Center 7761 is at 2.116061 -1.080878 3.888290 ESP Fit Center 7762 is at 1.905101 -1.446272 3.888290 ESP Fit Center 7763 is at 1.831835 -1.861784 3.888290 ESP Fit Center 7764 is at 1.905101 -2.277295 3.888290 ESP Fit Center 7765 is at 2.116061 -2.642690 3.888290 ESP Fit Center 7766 is at 2.439272 -2.913896 3.888290 ESP Fit Center 7767 is at 2.835748 -3.058202 3.888290 ESP Fit Center 7768 is at 3.257670 -3.058202 3.888290 ESP Fit Center 7769 is at 4.570260 -1.453550 3.679046 ESP Fit Center 7770 is at 4.412688 -1.073136 3.679046 ESP Fit Center 7771 is at 4.162026 -0.746467 3.679046 ESP Fit Center 7772 is at 3.835357 -0.495805 3.679046 ESP Fit Center 7773 is at 3.454943 -0.338233 3.679046 ESP Fit Center 7774 is at 3.046709 -0.284488 3.679046 ESP Fit Center 7775 is at 2.638475 -0.338233 3.679046 ESP Fit Center 7776 is at 2.258061 -0.495805 3.679046 ESP Fit Center 7777 is at 1.931392 -0.746467 3.679046 ESP Fit Center 7778 is at 1.680731 -1.073136 3.679046 ESP Fit Center 7779 is at 1.523158 -1.453550 3.679046 ESP Fit Center 7780 is at 1.469413 -1.861784 3.679046 ESP Fit Center 7781 is at 1.523158 -2.270018 3.679046 ESP Fit Center 7782 is at 1.680731 -2.650432 3.679046 ESP Fit Center 7783 is at 1.931392 -2.977101 3.679046 ESP Fit Center 7784 is at 2.258061 -3.227762 3.679046 ESP Fit Center 7785 is at 2.638475 -3.385335 3.679046 ESP Fit Center 7786 is at 3.046709 -3.439080 3.679046 ESP Fit Center 7787 is at 4.775172 -1.062112 3.418122 ESP Fit Center 7788 is at 4.562855 -0.709240 3.418122 ESP Fit Center 7789 is at 4.279646 -0.410259 3.418122 ESP Fit Center 7790 is at 3.938785 -0.179150 3.418122 ESP Fit Center 7791 is at 3.556212 -0.026719 3.418122 ESP Fit Center 7792 is at 3.149816 0.039907 3.418122 ESP Fit Center 7793 is at 2.738598 0.017611 3.418122 ESP Fit Center 7794 is at 2.341787 -0.092563 3.418122 ESP Fit Center 7795 is at 1.977937 -0.285464 3.418122 ESP Fit Center 7796 is at 1.664063 -0.552072 3.418122 ESP Fit Center 7797 is at 1.414839 -0.879920 3.418122 ESP Fit Center 7798 is at 1.241919 -1.253679 3.418122 ESP Fit Center 7799 is at 1.153390 -1.655873 3.418122 ESP Fit Center 7800 is at 1.153390 -2.067695 3.418122 ESP Fit Center 7801 is at 1.241919 -2.469888 3.418122 ESP Fit Center 7802 is at 1.414839 -2.843648 3.418122 ESP Fit Center 7803 is at 1.664063 -3.171496 3.418122 ESP Fit Center 7804 is at 1.977937 -3.438104 3.418122 ESP Fit Center 7805 is at 2.341787 -3.631005 3.418122 ESP Fit Center 7806 is at 2.738598 -3.741179 3.418122 ESP Fit Center 7807 is at 3.149816 -3.763475 3.418122 ESP Fit Center 7808 is at 5.079025 -1.048167 3.111349 ESP Fit Center 7809 is at 4.888321 -0.678252 3.111349 ESP Fit Center 7810 is at 4.631056 -0.351113 3.111349 ESP Fit Center 7811 is at 4.316528 -0.078573 3.111349 ESP Fit Center 7812 is at 3.956106 0.129517 3.111349 ESP Fit Center 7813 is at 3.562816 0.265636 3.111349 ESP Fit Center 7814 is at 3.150872 0.324865 3.111349 ESP Fit Center 7815 is at 2.735164 0.305062 3.111349 ESP Fit Center 7816 is at 2.330715 0.206944 3.111349 ESP Fit Center 7817 is at 1.952145 0.034057 3.111349 ESP Fit Center 7818 is at 1.613135 -0.207351 3.111349 ESP Fit Center 7819 is at 1.325938 -0.508555 3.111349 ESP Fit Center 7820 is at 1.100934 -0.858667 3.111349 ESP Fit Center 7821 is at 0.946256 -1.245035 3.111349 ESP Fit Center 7822 is at 0.867493 -1.653694 3.111349 ESP Fit Center 7823 is at 0.867493 -2.069874 3.111349 ESP Fit Center 7824 is at 0.946256 -2.478533 3.111349 ESP Fit Center 7825 is at 1.100934 -2.864901 3.111349 ESP Fit Center 7826 is at 1.325938 -3.215013 3.111349 ESP Fit Center 7827 is at 1.613135 -3.516217 3.111349 ESP Fit Center 7828 is at 1.952145 -3.757625 3.111349 ESP Fit Center 7829 is at 2.330715 -3.930512 3.111349 ESP Fit Center 7830 is at 2.735164 -4.028630 3.111349 ESP Fit Center 7831 is at 5.163656 -0.679187 2.765577 ESP Fit Center 7832 is at 4.933346 -0.338431 2.765577 ESP Fit Center 7833 is at 4.648760 -0.041500 2.765577 ESP Fit Center 7834 is at 4.318087 0.203064 2.765577 ESP Fit Center 7835 is at 3.950838 0.388227 2.765577 ESP Fit Center 7836 is at 3.557579 0.508662 2.765577 ESP Fit Center 7837 is at 3.149624 0.560902 2.765577 ESP Fit Center 7838 is at 2.738707 0.543447 2.765577 ESP Fit Center 7839 is at 2.336652 0.456797 2.765577 ESP Fit Center 7840 is at 1.955023 0.303446 2.765577 ESP Fit Center 7841 is at 1.296059 -3.539647 2.765577 ESP Fit Center 7842 is at 1.604800 -3.811373 2.765577 ESP Fit Center 7843 is at 1.955023 -4.027014 2.765577 ESP Fit Center 7844 is at 2.336652 -4.180365 2.765577 ESP Fit Center 7845 is at 2.738707 -4.267015 2.765577 ESP Fit Center 7846 is at 5.369070 -0.678482 2.388532 ESP Fit Center 7847 is at 5.155369 -0.329753 2.388532 ESP Fit Center 7848 is at 4.889745 -0.018748 2.388532 ESP Fit Center 7849 is at 4.578740 0.246876 2.388532 ESP Fit Center 7850 is at 4.230011 0.460577 2.388532 ESP Fit Center 7851 is at 3.852145 0.617094 2.388532 ESP Fit Center 7852 is at 2.241273 -4.340662 2.388532 ESP Fit Center 7853 is at 2.638971 -4.436141 2.388532 ESP Fit Center 7854 is at 5.493060 -0.650518 1.988636 ESP Fit Center 7855 is at 5.279491 -0.291280 1.988636 ESP Fit Center 7856 is at 5.013588 0.031147 1.988636 ESP Fit Center 7857 is at 4.701582 0.309205 1.988636 ESP Fit Center 7858 is at 4.350788 0.536377 1.988636 ESP Fit Center 7859 is at 5.562368 -0.650307 1.574821 ESP Fit Center 7860 is at 5.353709 -0.288898 1.574821 ESP Fit Center 7861 is at 5.093515 0.037374 1.574821 ESP Fit Center 7862 is at 5.562368 -0.650307 1.156333 ESP Fit Center 7863 is at 5.353709 -0.288898 1.156333 ESP Fit Center 7864 is at 5.649289 -1.038148 0.742519 ESP Fit Center 7865 is at 5.493060 -0.650518 0.742519 ESP Fit Center 7866 is at 5.279491 -0.291280 0.742519 ESP Fit Center 7867 is at -3.959653 -0.794141 2.688653 ESP Fit Center 7868 is at -3.663396 -1.090399 2.688653 ESP Fit Center 7869 is at -4.381825 -0.798230 2.551535 ESP Fit Center 7870 is at -4.174280 -1.157708 2.551535 ESP Fit Center 7871 is at -3.856302 -1.424522 2.551535 ESP Fit Center 7872 is at -4.802934 -0.601696 2.363160 ESP Fit Center 7873 is at -4.688406 -1.010455 2.363160 ESP Fit Center 7874 is at -4.467842 -1.373156 2.363160 ESP Fit Center 7875 is at -5.140866 -0.594144 2.127035 ESP Fit Center 7876 is at -5.052858 -0.993968 2.127035 ESP Fit Center 7877 is at -4.880958 -1.365526 2.127035 ESP Fit Center 7878 is at -4.633202 -1.691443 2.127035 ESP Fit Center 7879 is at -5.441281 -0.597857 1.847561 ESP Fit Center 7880 is at -5.362397 -1.007147 1.847561 ESP Fit Center 7881 is at -5.207480 -1.394111 1.847561 ESP Fit Center 7882 is at -4.982128 -1.744765 1.847561 ESP Fit Center 7883 is at -5.630527 -1.007022 1.529942 ESP Fit Center 7884 is at -5.492040 -1.398979 1.529942 ESP Fit Center 7885 is at -5.289303 -1.761894 1.529942 ESP Fit Center 7886 is at -5.632035 -1.598720 1.180097 ESP Fit Center 7887 is at -5.413644 -1.955104 1.180097 ESP Fit Center 7888 is at -5.723795 -1.772924 0.804540 ESP Fit Center 7889 is at -5.496089 -2.117101 0.804540 ESP Fit Center 7890 is at -5.634988 -2.115920 0.410269 ESP Fit Center 7891 is at -5.680094 -2.148691 0.004629 ESP Fit Center 7892 is at -5.680094 -2.148691 -0.404826 ESP Fit Center 7893 is at -5.634988 -2.115920 -0.810467 ESP Fit Center 7894 is at -5.496089 -2.117101 -1.204737 ESP Fit Center 7895 is at -5.413644 -1.955104 -1.580294 ESP Fit Center 7896 is at -5.142190 -2.272935 -1.580294 ESP Fit Center 7897 is at -5.289303 -1.761894 -1.930140 ESP Fit Center 7898 is at -5.028150 -2.085326 -1.930140 ESP Fit Center 7899 is at -5.207480 -1.394111 -2.247758 ESP Fit Center 7900 is at -4.982128 -1.744765 -2.247758 ESP Fit Center 7901 is at -4.694488 -2.046433 -2.247758 ESP Fit Center 7902 is at -5.052858 -0.993968 -2.527232 ESP Fit Center 7903 is at -4.880958 -1.365526 -2.527232 ESP Fit Center 7904 is at -4.633202 -1.691443 -2.527232 ESP Fit Center 7905 is at -4.321176 -1.956480 -2.527232 ESP Fit Center 7906 is at -1.757752 0.031100 -2.763357 ESP Fit Center 7907 is at -1.926873 0.420456 -2.763357 ESP Fit Center 7908 is at -2.194770 0.749746 -2.763357 ESP Fit Center 7909 is at -2.541574 0.994547 -2.763357 ESP Fit Center 7910 is at -2.941563 1.136703 -2.763357 ESP Fit Center 7911 is at -4.802934 -0.601696 -2.763357 ESP Fit Center 7912 is at -4.688406 -1.010455 -2.763357 ESP Fit Center 7913 is at -4.467842 -1.373156 -2.763357 ESP Fit Center 7914 is at -4.157602 -1.662899 -2.763357 ESP Fit Center 7915 is at -3.780695 -1.858197 -2.763357 ESP Fit Center 7916 is at -2.063498 -0.389446 -2.951732 ESP Fit Center 7917 is at -2.135577 0.019338 -2.951732 ESP Fit Center 7918 is at -2.343122 0.378816 -2.951732 ESP Fit Center 7919 is at -2.661099 0.645630 -2.951732 ESP Fit Center 7920 is at -3.051156 0.787599 -2.951732 ESP Fit Center 7921 is at -4.453904 -0.389446 -2.951732 ESP Fit Center 7922 is at -4.381825 -0.798230 -2.951732 ESP Fit Center 7923 is at -4.174280 -1.157708 -2.951732 ESP Fit Center 7924 is at -3.856302 -1.424522 -2.951732 ESP Fit Center 7925 is at -3.466246 -1.566492 -2.951732 ESP Fit Center 7926 is at -3.051156 -1.566492 -2.951732 ESP Fit Center 7927 is at -2.449311 -0.389446 -3.088850 ESP Fit Center 7928 is at -2.557748 0.015249 -3.088850 ESP Fit Center 7929 is at -2.854006 0.311506 -3.088850 ESP Fit Center 7930 is at -3.258701 0.419944 -3.088850 ESP Fit Center 7931 is at -3.663396 0.311506 -3.088850 ESP Fit Center 7932 is at -3.959653 0.015249 -3.088850 ESP Fit Center 7933 is at 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at -2.427841 -1.642347 2.915510 ESP Fit Center 7952 is at -2.019341 -1.642347 2.915510 ESP Fit Center 7953 is at -1.818896 -0.587623 2.832204 ESP Fit Center 7954 is at -2.223591 -0.479185 2.832204 ESP Fit Center 7955 is at -2.924544 -0.883880 2.832204 ESP Fit Center 7956 is at -3.032982 -1.288576 2.832204 ESP Fit Center 7957 is at -1.522639 -1.693271 2.832204 ESP Fit Center 7958 is at -3.418795 -1.288576 2.695086 ESP Fit Center 7959 is at -1.625990 -2.323652 -2.808182 ESP Fit Center 7960 is at -1.818896 -0.587623 -2.945300 ESP Fit Center 7961 is at -2.924544 -1.693271 -2.945300 ESP Fit Center 7962 is at -2.628287 -1.989528 -2.945300 ESP Fit Center 7963 is at -2.223591 -2.097966 -2.945300 ESP Fit Center 7964 is at -1.818896 -1.989528 -2.945300 ESP Fit Center 7965 is at -1.522639 -1.693271 -2.945300 ESP Fit Center 7966 is at -1.815092 -1.288576 -3.028606 ESP Fit Center 7967 is at -2.019341 -0.934804 -3.028606 ESP Fit Center 7968 is at -2.632091 -1.288576 -3.028606 ESP Fit Center 7969 is at -2.427841 -1.642347 -3.028606 ESP Fit Center 7970 is at -2.019341 -1.642347 -3.028606 ESP Fit Center 7971 is at -2.223591 -1.288576 -3.056548 ESP Fit Center 7972 is at -0.861938 -0.977708 2.930459 ESP Fit Center 7973 is at -0.453438 -0.977708 2.902517 ESP Fit Center 7974 is at -0.657688 -0.623936 2.902517 ESP Fit Center 7975 is at -1.066188 -0.623936 2.902517 ESP Fit Center 7976 is at -1.270438 -0.977708 2.902517 ESP Fit Center 7977 is at -1.066188 -1.331479 2.902517 ESP Fit Center 7978 is at -0.657688 -1.331479 2.902517 ESP Fit Center 7979 is at -0.160985 -0.573012 2.819211 ESP Fit Center 7980 is at -0.457243 -0.276755 2.819211 ESP Fit Center 7981 is at -0.861938 -0.168317 2.819211 ESP Fit Center 7982 is at -1.266633 -0.276755 2.819211 ESP Fit Center 7983 is at -1.562891 -0.573012 2.819211 ESP Fit Center 7984 is at -1.266633 -1.678660 2.819211 ESP Fit Center 7985 is at -1.069483 0.199338 2.682093 ESP Fit Center 7986 is at -1.777517 -0.209446 -2.821175 ESP Fit Center 7987 is at 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ESP Fit Center 8423 is at -5.496658 -2.366169 0.660492 ESP Fit Center 8424 is at -5.496658 -2.775954 0.660492 ESP Fit Center 8425 is at -5.439627 -3.181750 0.660492 ESP Fit Center 8426 is at -5.326675 -3.575661 0.660492 ESP Fit Center 8427 is at -5.160000 -3.950018 0.660492 ESP Fit Center 8428 is at -4.942847 -4.297535 0.660492 ESP Fit Center 8429 is at -4.679443 -4.611448 0.660492 ESP Fit Center 8430 is at -4.374913 -4.885648 0.660492 ESP Fit Center 8431 is at -5.552276 -2.362280 0.254851 ESP Fit Center 8432 is at -5.552276 -2.779843 0.254851 ESP Fit Center 8433 is at -5.494162 -3.193342 0.254851 ESP Fit Center 8434 is at -5.379066 -3.594730 0.254851 ESP Fit Center 8435 is at -5.209228 -3.976193 0.254851 ESP Fit Center 8436 is at -4.987953 -4.330306 0.254851 ESP Fit Center 8437 is at -4.719549 -4.650178 0.254851 ESP Fit Center 8438 is at -4.409239 -4.929582 0.254851 ESP Fit Center 8439 is at -5.552276 -2.362280 -0.154603 ESP Fit Center 8440 is at -5.552276 -2.779843 -0.154603 ESP Fit 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ESP Fit Center 8459 is at -4.803949 -4.298716 -0.954515 ESP Fit Center 8460 is at -4.528557 -4.606072 -0.954515 ESP Fit Center 8461 is at -4.211349 -4.870055 -0.954515 ESP Fit Center 8462 is at -5.230216 -2.571061 -1.330071 ESP Fit Center 8463 is at -5.197422 -2.987749 -1.330071 ESP Fit Center 8464 is at -5.099847 -3.394176 -1.330071 ESP Fit Center 8465 is at -4.939895 -3.780336 -1.330071 ESP Fit Center 8466 is at -4.721503 -4.136719 -1.330071 ESP Fit Center 8467 is at -4.450049 -4.454550 -1.330071 ESP Fit Center 8468 is at -4.132218 -4.726004 -1.330071 ESP Fit Center 8469 is at -5.008641 -2.363210 -1.679917 ESP Fit Center 8470 is at -5.008641 -2.778913 -1.679917 ESP Fit Center 8471 is at -4.938386 -3.188637 -1.679917 ESP Fit Center 8472 is at -4.799899 -3.580594 -1.679917 ESP Fit Center 8473 is at -4.597163 -3.943509 -1.679917 ESP Fit Center 8474 is at -4.336009 -4.266941 -1.679917 ESP Fit Center 8475 is at -4.023953 -4.541586 -1.679917 ESP Fit Center 8476 is at -3.669969 -4.759542 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-4.767211 1.760914 ESP Fit Center 8531 is at 1.632236 -5.304613 1.418224 ESP Fit Center 8532 is at 2.047935 -5.368296 1.418224 ESP Fit Center 8533 is at 2.467944 -5.346995 1.418224 ESP Fit Center 8534 is at 2.875068 -5.241584 1.418224 ESP Fit Center 8535 is at 3.252638 -5.056376 1.418224 ESP Fit Center 8536 is at 3.585198 -4.798956 1.418224 ESP Fit Center 8537 is at 1.832250 -5.524809 1.039072 ESP Fit Center 8538 is at 2.260517 -5.545210 1.039072 ESP Fit Center 8539 is at 2.684905 -5.484192 1.039072 ESP Fit Center 8540 is at 3.090077 -5.343961 1.039072 ESP Fit Center 8541 is at 3.461388 -5.129585 1.039072 ESP Fit Center 8542 is at 3.785417 -4.848812 1.039072 ESP Fit Center 8543 is at 1.627270 -5.596782 0.634980 ESP Fit Center 8544 is at 2.047167 -5.653661 0.634980 ESP Fit Center 8545 is at 2.470473 -5.634650 0.634980 ESP Fit Center 8546 is at 2.883581 -5.540361 0.634980 ESP Fit Center 8547 is at 3.273214 -5.373824 0.634980 ESP Fit Center 8548 is at 3.626849 -5.140391 0.634980 ESP Fit Center 8549 is at 1.736452 -5.656041 0.218224 ESP Fit Center 8550 is at 2.153207 -5.692502 0.218224 ESP Fit Center 8551 is at 2.569963 -5.656041 0.218224 ESP Fit Center 8552 is at 2.974056 -5.547765 0.218224 ESP Fit Center 8553 is at 3.353207 -5.370963 0.218224 ESP Fit Center 8554 is at 3.695897 -5.131009 0.218224 ESP Fit Center 8555 is at 1.627270 -5.596782 -0.198532 ESP Fit Center 8556 is at 2.047167 -5.653661 -0.198532 ESP Fit Center 8557 is at 2.470473 -5.634650 -0.198532 ESP Fit Center 8558 is at 2.883581 -5.540361 -0.198532 ESP Fit Center 8559 is at 3.273214 -5.373824 -0.198532 ESP Fit Center 8560 is at 3.626849 -5.140391 -0.198532 ESP Fit Center 8561 is at 1.832250 -5.524809 -0.602624 ESP Fit Center 8562 is at 2.260517 -5.545210 -0.602624 ESP Fit Center 8563 is at 2.684905 -5.484192 -0.602624 ESP Fit Center 8564 is at 3.090077 -5.343961 -0.602624 ESP Fit Center 8565 is at 3.461388 -5.129585 -0.602624 ESP Fit Center 8566 is at 1.632236 -5.304613 -0.981776 ESP Fit Center 8567 is 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0.366303 ESP Fit Center 8586 is at 5.043481 -4.735837 0.366303 ESP Fit Center 8587 is at 5.421051 -4.550629 0.366303 ESP Fit Center 8588 is at 5.753611 -4.293209 0.366303 ESP Fit Center 8589 is at 6.027545 -3.974114 0.366303 ESP Fit Center 8590 is at 6.231638 -3.606409 0.366303 ESP Fit Center 8591 is at 6.357535 -3.205146 0.366303 ESP Fit Center 8592 is at 6.576883 -2.786755 -0.012849 ESP Fit Center 8593 is at 6.536127 -2.359944 -0.012849 ESP Fit Center 8594 is at 6.415333 -1.948559 -0.012849 ESP Fit Center 8595 is at 4.000663 -5.019062 -0.012849 ESP Fit Center 8596 is at 4.428930 -5.039463 -0.012849 ESP Fit Center 8597 is at 4.853318 -4.978445 -0.012849 ESP Fit Center 8598 is at 5.258490 -4.838214 -0.012849 ESP Fit Center 8599 is at 5.629801 -4.623838 -0.012849 ESP Fit Center 8600 is at 5.953830 -4.343065 -0.012849 ESP Fit Center 8601 is at 6.218868 -4.006042 -0.012849 ESP Fit Center 8602 is at 6.415333 -3.624952 -0.012849 ESP Fit Center 8603 is at 6.536127 -3.213567 -0.012849 ESP Fit Center 8604 is at 6.685159 -2.786755 -0.416942 ESP Fit Center 8605 is at 6.647176 -2.364729 -0.416942 ESP Fit Center 8606 is at 6.534447 -1.956267 -0.416942 ESP Fit Center 8607 is at 3.795683 -5.091035 -0.416942 ESP Fit Center 8608 is at 4.215580 -5.147914 -0.416942 ESP Fit Center 8609 is at 4.638886 -5.128903 -0.416942 ESP Fit Center 8610 is at 5.051994 -5.034614 -0.416942 ESP Fit Center 8611 is at 5.441627 -4.868077 -0.416942 ESP Fit Center 8612 is at 5.795262 -4.634644 -0.416942 ESP Fit Center 8613 is at 6.101534 -4.341819 -0.416942 ESP Fit Center 8614 is at 6.350597 -3.999013 -0.416942 ESP Fit Center 8615 is at 6.534447 -3.617243 -0.416942 ESP Fit Center 8616 is at 6.647176 -3.208781 -0.416942 ESP Fit Center 8617 is at 6.721620 -2.786755 -0.833697 ESP Fit Center 8618 is at 6.685159 -2.370000 -0.833697 ESP Fit Center 8619 is at 6.576883 -1.965907 -0.833697 ESP Fit Center 8620 is at 3.904865 -5.150294 -0.833697 ESP Fit Center 8621 is at 4.321620 -5.186755 -0.833697 ESP Fit Center 8622 is at 4.738376 -5.150294 -0.833697 ESP Fit Center 8623 is at 5.142469 -5.042018 -0.833697 ESP Fit Center 8624 is at 5.521620 -4.865216 -0.833697 ESP Fit Center 8625 is at 5.864310 -4.625262 -0.833697 ESP Fit Center 8626 is at 6.160127 -4.329446 -0.833697 ESP Fit Center 8627 is at 6.400081 -3.986755 -0.833697 ESP Fit Center 8628 is at 6.576883 -3.607604 -0.833697 ESP Fit Center 8629 is at 6.685159 -3.203511 -0.833697 ESP Fit Center 8630 is at 6.685159 -2.786755 -1.250453 ESP Fit Center 8631 is at 6.647176 -2.364729 -1.250453 ESP Fit Center 8632 is at 6.534447 -1.956267 -1.250453 ESP Fit Center 8633 is at 4.215580 -5.147914 -1.250453 ESP Fit Center 8634 is at 4.638886 -5.128903 -1.250453 ESP Fit Center 8635 is at 5.051994 -5.034614 -1.250453 ESP Fit Center 8636 is at 5.441627 -4.868077 -1.250453 ESP Fit Center 8637 is at 5.795262 -4.634644 -1.250453 ESP Fit Center 8638 is at 6.101534 -4.341819 -1.250453 ESP Fit Center 8639 is at 6.350597 -3.999013 -1.250453 ESP Fit Center 8640 is at 6.534447 -3.617243 -1.250453 ESP Fit Center 8641 is at 6.647176 -3.208781 -1.250453 ESP Fit Center 8642 is at 6.576883 -2.786755 -1.654545 ESP Fit Center 8643 is at 6.536127 -2.359944 -1.654545 ESP Fit Center 8644 is at 6.415333 -1.948559 -1.654545 ESP Fit Center 8645 is at 4.000663 -5.019062 -1.654545 ESP Fit Center 8646 is at 4.428930 -5.039463 -1.654545 ESP Fit Center 8647 is at 4.853318 -4.978445 -1.654545 ESP Fit Center 8648 is at 5.258490 -4.838214 -1.654545 ESP Fit Center 8649 is at 5.629801 -4.623838 -1.654545 ESP Fit Center 8650 is at 5.953830 -4.343065 -1.654545 ESP Fit Center 8651 is at 6.218868 -4.006042 -1.654545 ESP Fit Center 8652 is at 6.415333 -3.624952 -1.654545 ESP Fit Center 8653 is at 6.536127 -3.213567 -1.654545 ESP Fit Center 8654 is at 6.400081 -2.786755 -2.033697 ESP Fit Center 8655 is at 6.357535 -2.368364 -2.033697 ESP Fit Center 8656 is at 4.216348 -4.862549 -2.033697 ESP Fit Center 8657 is at 4.636357 -4.841248 -2.033697 ESP Fit Center 8658 is at 5.043481 -4.735837 -2.033697 ESP Fit Center 8659 is at 5.421051 -4.550629 -2.033697 ESP Fit Center 8660 is at 5.753611 -4.293209 -2.033697 ESP Fit Center 8661 is at 6.027545 -3.974114 -2.033697 ESP Fit Center 8662 is at 6.231638 -3.606409 -2.033697 ESP Fit Center 8663 is at 6.357535 -3.205146 -2.033697 ESP Fit Center 8664 is at 6.160127 -2.786755 -2.376387 ESP Fit Center 8665 is at 4.640874 -4.597331 -2.376387 ESP Fit Center 8666 is at 5.049816 -4.474902 -2.376387 ESP Fit Center 8667 is at 5.419500 -4.261464 -2.376387 ESP Fit Center 8668 is at 5.729998 -3.968525 -2.376387 ESP Fit Center 8669 is at 5.964570 -3.611876 -2.376387 ESP Fit Center 8670 is at 6.110570 -3.210744 -2.376387 ESP Fit Center 8671 is at 5.031358 -4.156487 -2.672204 ESP Fit Center 8672 is at 5.374588 -3.914209 -2.672204 ESP Fit Center 8673 is at 5.639725 -3.588312 -2.672204 ESP Fit Center 8674 is at 5.807103 -3.202968 -2.672204 ESP Fit Center 8675 is at 1.799211 -4.520111 -1.935460 ESP Fit Center 8676 is at 2.178362 -4.696912 -1.935460 ESP Fit Center 8677 is at 1.365858 -4.150003 -2.352215 ESP Fit Center 8678 is at 1.697145 -4.414196 -2.352215 ESP Fit Center 8679 is at 2.070281 -4.614989 -2.352215 ESP Fit Center 8680 is at 2.473274 -4.745929 -2.352215 ESP Fit Center 8681 is at 2.893171 -4.802808 -2.352215 ESP Fit Center 8682 is at 0.835302 -3.077030 -2.756308 ESP Fit Center 8683 is at 0.994654 -3.475071 -2.756308 ESP Fit Center 8684 is at 1.226455 -3.835760 -2.756308 ESP Fit Center 8685 is at 1.522328 -4.146063 -2.756308 ESP Fit Center 8686 is at 1.871580 -4.394764 -2.756308 ESP Fit Center 8687 is at 2.261587 -4.572874 -2.756308 ESP Fit Center 8688 is at 2.678254 -4.673957 -2.756308 ESP Fit Center 8689 is at 3.106520 -4.694357 -2.756308 ESP Fit Center 8690 is at 3.530909 -4.633340 -2.756308 ESP Fit Center 8691 is at 1.726972 -0.798053 -3.135460 ESP Fit Center 8692 is at 1.422162 -1.087797 -3.135460 ESP Fit Center 8693 is at 1.181915 -1.432968 -3.135460 ESP Fit Center 8694 is at 1.016070 -1.819435 -3.135460 ESP Fit Center 8695 is at 0.931414 -2.231375 -3.135460 ESP Fit Center 8696 is at 0.931414 -2.651924 -3.135460 ESP Fit Center 8697 is at 1.016070 -3.063864 -3.135460 ESP Fit Center 8698 is at 1.181915 -3.450331 -3.135460 ESP Fit Center 8699 is at 1.422162 -3.795502 -3.135460 ESP Fit Center 8700 is at 1.726972 -4.085246 -3.135460 ESP Fit Center 8701 is at 2.083869 -4.307701 -3.135460 ESP Fit Center 8702 is at 2.478239 -4.453760 -3.135460 ESP Fit Center 8703 is at 2.893938 -4.517443 -3.135460 ESP Fit Center 8704 is at 3.313948 -4.496142 -3.135460 ESP Fit Center 8705 is at 3.721071 -4.390731 -3.135460 ESP Fit Center 8706 is at 4.098642 -4.205524 -3.135460 ESP Fit Center 8707 is at 2.471921 -0.680379 -3.478150 ESP Fit Center 8708 is at 2.079957 -0.849456 -3.478150 ESP Fit Center 8709 is at 1.737551 -1.104368 -3.478150 ESP Fit Center 8710 is at 1.463161 -1.431374 -3.478150 ESP Fit Center 8711 is at 1.271580 -1.812843 -3.478150 ESP Fit Center 8712 is at 1.173135 -2.228212 -3.478150 ESP Fit Center 8713 is at 1.173135 -2.655087 -3.478150 ESP Fit Center 8714 is at 1.271580 -3.070456 -3.478150 ESP Fit Center 8715 is at 1.463161 -3.451926 -3.478150 ESP Fit Center 8716 is at 1.737551 -3.778931 -3.478150 ESP Fit Center 8717 is at 2.079957 -4.033843 -3.478150 ESP Fit Center 8718 is at 2.471921 -4.202920 -3.478150 ESP Fit Center 8719 is at 2.892311 -4.277046 -3.478150 ESP Fit Center 8720 is at 3.318464 -4.252225 -3.478150 ESP Fit Center 8721 is at 3.727406 -4.129796 -3.478150 ESP Fit Center 8722 is at 4.097091 -3.916358 -3.478150 ESP Fit Center 8723 is at 4.407589 -3.623419 -3.478150 ESP Fit Center 8724 is at 3.313080 -0.931226 -3.773966 ESP Fit Center 8725 is at 2.893934 -0.902556 -3.773966 ESP Fit Center 8726 is at 2.482595 -0.988033 -3.773966 ESP Fit Center 8727 is at 2.109572 -1.181318 -3.773966 ESP Fit Center 8728 is at 1.802529 -1.468076 -3.773966 ESP Fit Center 8729 is at 1.584238 -1.827040 -3.773966 ESP Fit Center 8730 is at 1.470889 -2.231587 -3.773966 ESP Fit Center 8731 is at 1.470889 -2.651713 -3.773966 ESP Fit Center 8732 is at 1.584238 -3.056259 -3.773966 ESP Fit Center 8733 is at 1.802529 -3.415223 -3.773966 ESP Fit Center 8734 is at 2.109572 -3.701981 -3.773966 ESP Fit Center 8735 is at 2.482595 -3.895266 -3.773966 ESP Fit Center 8736 is at 2.893934 -3.980743 -3.773966 ESP Fit Center 8737 is at 3.313080 -3.952073 -3.773966 ESP Fit Center 8738 is at 3.708949 -3.811381 -3.773966 ESP Fit Center 8739 is at 4.052179 -3.569103 -3.773966 ESP Fit Center 8740 is at 4.317315 -3.243207 -3.773966 ESP Fit Center 8741 is at 4.484694 -2.857862 -3.773966 ESP Fit Center 8742 is at 4.199211 -2.441650 -4.013921 ESP Fit Center 8743 is at 4.126842 -2.031225 -4.013921 ESP Fit Center 8744 is at 3.918464 -1.670304 -4.013921 ESP Fit Center 8745 is at 3.599211 -1.402419 -4.013921 ESP Fit Center 8746 is at 3.207589 -1.259880 -4.013921 ESP Fit Center 8747 is at 2.790833 -1.259880 -4.013921 ESP Fit Center 8748 is at 2.399211 -1.402419 -4.013921 ESP Fit Center 8749 is at 2.079957 -1.670304 -4.013921 ESP Fit Center 8750 is at 1.871580 -2.031225 -4.013921 ESP Fit Center 8751 is at 1.799211 -2.441650 -4.013921 ESP Fit Center 8752 is at 1.871580 -2.852074 -4.013921 ESP Fit Center 8753 is at 2.079957 -3.212995 -4.013921 ESP Fit Center 8754 is at 2.399211 -3.480880 -4.013921 ESP Fit Center 8755 is at 2.790833 -3.623419 -4.013921 ESP Fit Center 8756 is at 3.207589 -3.623419 -4.013921 ESP Fit Center 8757 is at 3.599211 -3.480880 -4.013921 ESP Fit Center 8758 is at 3.918464 -3.212995 -4.013921 ESP Fit Center 8759 is at 4.126842 -2.852074 -4.013921 ESP Fit Center 8760 is at 3.820059 -2.441650 -4.190722 ESP Fit Center 8761 is at 3.710086 -2.031225 -4.190722 ESP Fit Center 8762 is at 3.409635 -1.730774 -4.190722 ESP Fit Center 8763 is at 2.999211 -1.620801 -4.190722 ESP Fit Center 8764 is at 2.588787 -1.730774 -4.190722 ESP Fit Center 8765 is at 2.288335 -2.031225 -4.190722 ESP Fit Center 8766 is at 2.178362 -2.441650 -4.190722 ESP Fit Center 8767 is at 2.288335 -2.852074 -4.190722 ESP Fit Center 8768 is at 2.588787 -3.152525 -4.190722 ESP Fit Center 8769 is at 2.999211 -3.262498 -4.190722 ESP Fit Center 8770 is at 3.409635 -3.152525 -4.190722 ESP Fit Center 8771 is at 3.710086 -2.852074 -4.190722 ESP Fit Center 8772 is at 3.415966 -2.441650 -4.298998 ESP Fit Center 8773 is at 3.207589 -2.080729 -4.298998 ESP Fit Center 8774 is at 2.790833 -2.080729 -4.298998 ESP Fit Center 8775 is at 2.582455 -2.441650 -4.298998 ESP Fit Center 8776 is at 2.790833 -2.802571 -4.298998 ESP Fit Center 8777 is at 3.207589 -2.802571 -4.298998 ESP Fit Center 8778 is at 2.999211 -2.441650 -4.335460 ESP Fit Center 8779 is at 2.999547 0.672608 2.629255 ESP Fit Center 8780 is at 4.083421 0.672608 2.067637 ESP Fit Center 8781 is at 0.981015 1.656318 -2.822755 ESP Fit Center 8782 is at 2.397702 1.849654 -3.011131 ESP Fit Center 8783 is at 1.982612 1.849654 -3.011131 ESP Fit Center 8784 is at 1.592555 1.707685 -3.011131 ESP Fit Center 8785 is at 1.274578 1.440870 -3.011131 ESP Fit Center 8786 is at 1.067033 1.081392 -3.011131 ESP Fit Center 8787 is at 2.999547 0.672608 -3.148249 ESP Fit Center 8788 is at 2.594852 1.373561 -3.148249 ESP Fit Center 8789 is at 2.190157 1.481999 -3.148249 ESP Fit Center 8790 is at 1.785462 1.373561 -3.148249 ESP Fit Center 8791 is at 1.489204 1.077304 -3.148249 ESP Fit Center 8792 is at 1.380766 0.672608 -3.148249 ESP Fit Center 8793 is at 1.489204 0.267913 -3.148249 ESP Fit Center 8794 is at 1.785462 -0.028344 -3.148249 ESP Fit Center 8795 is at 2.190157 -0.136782 -3.148249 ESP Fit Center 8796 is at 2.594852 -0.028344 -3.148249 ESP Fit Center 8797 is at 2.891109 0.267913 -3.148249 ESP Fit Center 8798 is at 2.598657 0.672608 -3.231555 ESP Fit Center 8799 is at 2.394407 1.026380 -3.231555 ESP Fit Center 8800 is at 1.985907 1.026380 -3.231555 ESP Fit Center 8801 is at 1.781657 0.672608 -3.231555 ESP Fit Center 8802 is at 1.985907 0.318837 -3.231555 ESP Fit Center 8803 is at 2.394407 0.318837 -3.231555 ESP Fit Center 8804 is at 2.190157 0.672608 -3.259497 ESP Fit Center 8805 is at 5.460871 -0.292531 0.442049 ESP Fit Center 8806 is at 5.727940 -0.297998 0.099359 ESP Fit Center 8807 is at 6.032429 -0.690840 -0.279792 ESP Fit Center 8808 is at 5.911635 -0.279455 -0.279792 ESP Fit Center 8809 is at 6.143477 -0.695625 -0.683885 ESP Fit Center 8810 is at 6.030749 -0.287163 -0.683885 ESP Fit Center 8811 is at 6.181460 -0.700896 -1.100641 ESP Fit Center 8812 is at 6.073184 -0.296803 -1.100641 ESP Fit Center 8813 is at 6.143477 -0.695625 -1.517396 ESP Fit Center 8814 is at 6.030749 -0.287163 -1.517396 ESP Fit Center 8815 is at 6.032429 -0.690840 -1.921489 ESP Fit Center 8816 is at 5.911635 -0.279455 -1.921489 ESP Fit Center 8817 is at 5.853837 -0.699260 -2.300641 ESP Fit Center 8818 is at 5.727940 -0.297998 -2.300641 ESP Fit Center 8819 is at 5.606871 -0.693663 -2.643331 ESP Fit Center 8820 is at 5.460871 -0.292531 -2.643331 ESP Fit Center 8821 is at 5.303405 -0.701439 -2.939147 ESP Fit Center 8822 is at 5.136026 -0.316094 -2.939147 ESP Fit Center 8823 is at 4.870890 0.009802 -2.939147 ESP Fit Center 8824 is at 4.737175 -0.346306 -3.179102 ESP Fit Center 8825 is at 4.417922 -0.078421 -3.179102 ESP Fit Center 8826 is at 4.026300 0.064118 -3.179102 ESP Fit Center 8827 is at 3.609544 0.064118 -3.179102 ESP Fit Center 8828 is at 3.217922 -0.078421 -3.179102 ESP Fit Center 8829 is at 4.228346 -0.406776 -3.355903 ESP Fit Center 8830 is at 3.817922 -0.296803 -3.355903 ESP Fit Center 8831 is at 4.221405 -2.398499 3.916598 ESP Fit Center 8832 is at 4.013028 -2.759420 3.916598 ESP Fit Center 8833 is at 4.625498 -2.398499 3.808321 ESP Fit Center 8834 is at 4.515525 -1.988075 3.808321 ESP Fit Center 8835 is at 3.804650 -3.219347 3.808321 ESP Fit Center 8836 is at 4.215074 -3.109374 3.808321 ESP Fit Center 8837 is at 4.515525 -2.808923 3.808321 ESP Fit Center 8838 is at 5.004650 -2.398499 3.631520 ESP Fit Center 8839 is at 4.932281 -1.988075 3.631520 ESP Fit Center 8840 is at 4.723903 -1.627154 3.631520 ESP Fit Center 8841 is at 3.596272 -3.580268 3.631520 ESP Fit Center 8842 is at 4.013028 -3.580268 3.631520 ESP Fit Center 8843 is at 4.404650 -3.437729 3.631520 ESP Fit Center 8844 is at 4.723903 -3.169844 3.631520 ESP Fit Center 8845 is at 4.932281 -2.808923 3.631520 ESP Fit Center 8846 is at 5.347340 -2.398499 3.391566 ESP Fit Center 8847 is at 5.290133 -1.982286 3.391566 ESP Fit Center 8848 is at 5.122754 -1.596942 3.391566 ESP Fit Center 8849 is at 3.288034 -3.852116 3.391566 ESP Fit Center 8850 is at 3.699373 -3.937593 3.391566 ESP Fit Center 8851 is at 4.118519 -3.908922 3.391566 ESP Fit Center 8852 is at 4.514388 -3.768231 3.391566 ESP Fit Center 8853 is at 4.857618 -3.525952 3.391566 ESP Fit Center 8854 is at 5.122754 -3.200056 3.391566 ESP Fit Center 8855 is at 5.290133 -2.814712 3.391566 ESP Fit Center 8856 is at 5.643156 -2.398499 3.095749 ESP Fit Center 8857 is at 5.593599 -1.974510 3.095749 ESP Fit Center 8858 is at 5.447599 -1.573379 3.095749 ESP Fit Center 8859 is at 5.213028 -1.216729 3.095749 ESP Fit Center 8860 is at 3.277360 -4.159769 3.095749 ESP Fit Center 8861 is at 3.697750 -4.233895 3.095749 ESP Fit Center 8862 is at 4.123903 -4.209074 3.095749 ESP Fit Center 8863 is at 4.532845 -4.086645 3.095749 ESP Fit Center 8864 is at 4.902530 -3.873208 3.095749 ESP Fit Center 8865 is at 5.213028 -3.580268 3.095749 ESP Fit Center 8866 is at 5.447599 -3.223619 3.095749 ESP Fit Center 8867 is at 5.593599 -2.822488 3.095749 ESP Fit Center 8868 is at 5.883111 -2.398499 2.753059 ESP Fit Center 8869 is at 5.840565 -1.980108 2.753059 ESP Fit Center 8870 is at 5.714668 -1.578846 2.753059 ESP Fit Center 8871 is at 5.510575 -1.211140 2.753059 ESP Fit Center 8872 is at 3.283678 -4.410609 2.753059 ESP Fit Center 8873 is at 3.699377 -4.474292 2.753059 ESP Fit Center 8874 is at 4.119386 -4.452992 2.753059 ESP Fit Center 8875 is at 4.526510 -4.347580 2.753059 ESP Fit Center 8876 is at 4.904081 -4.162373 2.753059 ESP Fit Center 8877 is at 5.236641 -3.904952 2.753059 ESP Fit Center 8878 is at 5.510575 -3.585857 2.753059 ESP Fit Center 8879 is at 5.714668 -3.218152 2.753059 ESP Fit Center 8880 is at 5.840565 -2.816890 2.753059 ESP Fit Center 8881 is at 6.059912 -2.398499 2.373907 ESP Fit Center 8882 is at 6.019157 -1.971688 2.373907 ESP Fit Center 8883 is at 5.898363 -1.560302 2.373907 ESP Fit Center 8884 is at 5.701897 -1.179212 2.373907 ESP Fit Center 8885 is at 3.067026 -4.529724 2.373907 ESP Fit Center 8886 is at 3.483692 -4.630806 2.373907 ESP Fit Center 8887 is at 3.911959 -4.651207 2.373907 ESP Fit Center 8888 is at 4.336348 -4.590189 2.373907 ESP Fit Center 8889 is at 4.741520 -4.449958 2.373907 ESP Fit Center 8890 is at 5.112830 -4.235581 2.373907 ESP Fit Center 8891 is at 5.436860 -3.954808 2.373907 ESP Fit Center 8892 is at 5.701897 -3.617786 2.373907 ESP Fit Center 8893 is at 5.898363 -3.236695 2.373907 ESP Fit Center 8894 is at 6.019157 -2.825310 2.373907 ESP Fit Center 8895 is at 6.168188 -2.398499 1.969815 ESP Fit Center 8896 is at 6.130205 -1.976473 1.969815 ESP Fit Center 8897 is at 6.017477 -1.568011 1.969815 ESP Fit Center 8898 is at 5.833627 -1.186242 1.969815 ESP Fit Center 8899 is at 5.584563 -0.843435 1.969815 ESP Fit Center 8900 is at 3.278713 -4.702779 1.969815 ESP Fit Center 8901 is at 3.698610 -4.759657 1.969815 ESP Fit Center 8902 is at 4.121915 -4.740647 1.969815 ESP Fit Center 8903 is at 4.535023 -4.646358 1.969815 ESP Fit Center 8904 is at 4.924657 -4.479820 1.969815 ESP Fit Center 8905 is at 5.278292 -4.246388 1.969815 ESP Fit Center 8906 is at 5.584563 -3.953562 1.969815 ESP Fit Center 8907 is at 5.833627 -3.610756 1.969815 ESP Fit Center 8908 is at 6.017477 -3.228987 1.969815 ESP Fit Center 8909 is at 6.130205 -2.820525 1.969815 ESP Fit Center 8910 is at 6.204650 -2.398499 1.553059 ESP Fit Center 8911 is at 6.168188 -1.981743 1.553059 ESP Fit Center 8912 is at 6.059912 -1.577650 1.553059 ESP Fit Center 8913 is at 5.883111 -1.198499 1.553059 ESP Fit Center 8914 is at 3.804650 -4.798499 1.553059 ESP Fit Center 8915 is at 4.221405 -4.762037 1.553059 ESP Fit Center 8916 is at 4.625498 -4.653761 1.553059 ESP Fit Center 8917 is at 5.004650 -4.476960 1.553059 ESP Fit Center 8918 is at 5.347340 -4.237005 1.553059 ESP Fit Center 8919 is at 5.643156 -3.941189 1.553059 ESP Fit Center 8920 is at 5.883111 -3.598499 1.553059 ESP Fit Center 8921 is at 6.059912 -3.219347 1.553059 ESP Fit Center 8922 is at 6.168188 -2.815254 1.553059 ESP Fit Center 8923 is at 6.168188 -2.398499 1.136303 ESP Fit Center 8924 is at 6.130205 -1.976473 1.136303 ESP Fit Center 8925 is at 6.017477 -1.568011 1.136303 ESP Fit Center 8926 is at 5.833627 -1.186242 1.136303 ESP Fit Center 8927 is at 4.121915 -4.740647 1.136303 ESP Fit Center 8928 is at 4.535023 -4.646358 1.136303 ESP Fit Center 8929 is at 4.924657 -4.479820 1.136303 ESP Fit Center 8930 is at 5.278292 -4.246388 1.136303 ESP Fit Center 8931 is at 5.584563 -3.953562 1.136303 ESP Fit Center 8932 is at 5.833627 -3.610756 1.136303 ESP Fit Center 8933 is at 6.017477 -3.228987 1.136303 ESP Fit Center 8934 is at 6.130205 -2.820525 1.136303 ESP Fit Center 8935 is at 6.019157 -1.971688 0.732211 ESP Fit Center 8936 is at 5.898363 -1.560302 0.732211 ESP Fit Center 8937 is at 2.010975 1.897243 3.041604 ESP Fit Center 8938 is at 2.419475 1.897243 3.013661 ESP Fit Center 8939 is at 2.215225 2.251014 3.013661 ESP Fit Center 8940 is at 1.806725 2.251014 3.013661 ESP Fit Center 8941 is at 1.602475 1.897243 3.013661 ESP Fit Center 8942 is at 1.806725 1.543471 3.013661 ESP Fit Center 8943 is at 2.215225 1.543471 3.013661 ESP Fit Center 8944 is at 2.820365 1.897243 2.930356 ESP Fit Center 8945 is at 2.711927 2.301938 2.930356 ESP Fit Center 8946 is at 1.606280 2.598195 2.930356 ESP Fit Center 8947 is at 1.310022 2.301938 2.930356 ESP Fit Center 8948 is at 1.201584 1.897243 2.930356 ESP Fit Center 8949 is at 1.310022 1.492547 2.930356 ESP Fit Center 8950 is at 1.606280 1.196290 2.930356 ESP Fit Center 8951 is at 2.010975 1.087852 2.930356 ESP Fit Center 8952 is at 2.415670 1.196290 2.930356 ESP Fit Center 8953 is at 2.711927 1.492547 2.930356 ESP Fit Center 8954 is at 3.206178 1.897243 2.793238 ESP Fit Center 8955 is at 0.815772 1.897243 2.793238 ESP Fit Center 8956 is at 0.887851 1.488459 2.793238 ESP Fit Center 8957 is at 1.095396 1.128981 2.793238 ESP Fit Center 8958 is at 1.413373 0.862166 2.793238 ESP Fit Center 8959 is at 1.803430 0.720197 2.793238 ESP Fit Center 8960 is at 2.218520 0.720197 2.793238 ESP Fit Center 8961 is at 2.608576 0.862166 2.793238 ESP Fit Center 8962 is at 2.926554 1.128981 2.793238 ESP Fit Center 8963 is at 3.134098 1.488459 2.793238 ESP Fit Center 8964 is at 0.581270 1.276234 2.604862 ESP Fit Center 8965 is at 3.342803 1.087340 2.604862 ESP Fit Center 8966 is at 3.511924 1.476696 2.604862 ESP Fit Center 8967 is at 3.729254 1.102282 2.368738 ESP Fit Center 8968 is at 0.048978 3.932253 -0.963035 ESP Fit Center 8969 is at 0.127486 3.780732 -1.338591 ESP Fit Center 8970 is at -0.143968 3.462900 -1.338591 ESP Fit Center 8971 is at -0.362360 3.106517 -1.338591 ESP Fit Center 8972 is at 0.553583 3.867767 -1.688437 ESP Fit Center 8973 is at 0.241526 3.593122 -1.688437 ESP Fit Center 8974 is at -0.019628 3.269690 -1.688437 ESP Fit Center 8975 is at -0.222364 2.906775 -1.688437 ESP Fit Center 8976 is at 0.575187 3.554229 -2.006056 ESP Fit Center 8977 is at 0.287547 3.252561 -2.006056 ESP Fit Center 8978 is at 0.062196 2.901908 -2.006056 ESP Fit Center 8979 is at 0.948500 3.464276 -2.285530 ESP Fit Center 8980 is at 0.636474 3.199239 -2.285530 ESP Fit Center 8981 is at 0.388718 2.873322 -2.285530 ESP Fit Center 8982 is at 0.216817 2.501765 -2.285530 ESP Fit Center 8983 is at 1.112073 3.170696 -2.521655 ESP Fit Center 8984 is at 0.801833 2.880952 -2.521655 ESP Fit Center 8985 is at 0.581270 2.518251 -2.521655 ESP Fit Center 8986 is at 0.466741 2.109493 -2.521655 ESP Fit Center 8987 is at 1.413373 2.932319 -2.710030 ESP Fit Center 8988 is at 1.095396 2.665504 -2.710030 ESP Fit Center 8989 is at 0.887851 2.306026 -2.710030 ESP Fit Center 8990 is at 0.815772 1.897243 -2.710030 ESP Fit Center 8991 is at 1.606280 2.598195 -2.847148 ESP Fit Center 8992 is at 1.310022 2.301938 -2.847148 ESP Fit Center 8993 is at 1.201584 1.897243 -2.847148 ESP Fit Center 8994 is at 1.806725 2.251014 -2.930454 ESP Fit Center 8995 is at -2.377016 -5.213444 2.494774 ESP Fit Center 8996 is at -2.885845 -5.273914 2.317973 ESP Fit Center 8997 is at -2.566592 -5.541799 2.317973 ESP Fit Center 8998 is at -2.174969 -5.684338 2.317973 ESP Fit Center 8999 is at -1.758214 -5.684338 2.317973 ESP Fit Center 9000 is at -3.381564 -5.117178 2.078019 ESP Fit Center 9001 is at -3.163274 -5.476142 2.078019 ESP Fit Center 9002 is at -2.856231 -5.762900 2.078019 ESP Fit Center 9003 is at -2.483207 -5.956185 2.078019 ESP Fit Center 9004 is at -2.071868 -6.041662 2.078019 ESP Fit Center 9005 is at -1.652722 -6.012992 2.078019 ESP Fit Center 9006 is at -1.256854 -5.872300 2.078019 ESP Fit Center 9007 is at -3.694223 -5.131375 1.782202 ESP Fit Center 9008 is at -3.502641 -5.512844 1.782202 ESP Fit Center 9009 is at -3.228251 -5.839850 1.782202 ESP Fit Center 9010 is at -2.885845 -6.094762 1.782202 ESP Fit Center 9011 is at -2.493881 -6.263839 1.782202 ESP Fit Center 9012 is at -2.073491 -6.337965 1.782202 ESP Fit Center 9013 is at -1.647338 -6.313144 1.782202 ESP Fit Center 9014 is at -1.238396 -6.190715 1.782202 ESP Fit Center 9015 is at -0.868711 -5.977277 1.782202 ESP Fit Center 9016 is at -3.949733 -5.124783 1.439512 ESP Fit Center 9017 is at -3.783887 -5.511250 1.439512 ESP Fit Center 9018 is at -3.543641 -5.856421 1.439512 ESP Fit Center 9019 is at -3.238830 -6.146165 1.439512 ESP Fit Center 9020 is at -2.881934 -6.368620 1.439512 ESP Fit Center 9021 is at -2.487563 -6.514679 1.439512 ESP Fit Center 9022 is at -2.071864 -6.578362 1.439512 ESP Fit Center 9023 is at -1.651855 -6.557061 1.439512 ESP Fit Center 9024 is at -1.244731 -6.451650 1.439512 ESP Fit Center 9025 is at -0.867160 -6.266442 1.439512 ESP Fit Center 9026 is at -4.130500 -5.137949 1.060360 ESP Fit Center 9027 is at -3.971149 -5.535990 1.060360 ESP Fit Center 9028 is at -3.739347 -5.896679 1.060360 ESP Fit Center 9029 is at -3.443474 -6.206982 1.060360 ESP Fit Center 9030 is at -3.094223 -6.455683 1.060360 ESP Fit Center 9031 is at -2.704216 -6.633793 1.060360 ESP Fit Center 9032 is at -2.287549 -6.734875 1.060360 ESP Fit Center 9033 is at -1.859282 -6.755276 1.060360 ESP Fit Center 9034 is at -1.434893 -6.694258 1.060360 ESP Fit Center 9035 is at -1.029722 -6.554027 1.060360 ESP Fit Center 9036 is at -0.658411 -6.339651 1.060360 ESP Fit Center 9037 is at -4.244955 -5.131357 0.656268 ESP Fit Center 9038 is at -4.096066 -5.528069 0.656268 ESP Fit Center 9039 is at -3.878734 -5.891822 0.656268 ESP Fit Center 9040 is at -3.599945 -6.210922 0.656268 ESP Fit Center 9041 is at -3.268658 -6.475115 0.656268 ESP Fit Center 9042 is at -2.895521 -6.675908 0.656268 ESP Fit Center 9043 is at -2.492528 -6.806848 0.656268 ESP Fit Center 9044 is at -2.072631 -6.863727 0.656268 ESP Fit Center 9045 is at -1.649326 -6.844717 0.656268 ESP Fit Center 9046 is at -1.236218 -6.750427 0.656268 ESP Fit Center 9047 is at -0.846585 -6.583890 0.656268 ESP Fit Center 9048 is at -0.492949 -6.350457 0.656268 ESP Fit Center 9049 is at -4.221854 -5.323417 0.239512 ESP Fit Center 9050 is at -4.045052 -5.702569 0.239512 ESP Fit Center 9051 is at -3.805098 -6.045259 0.239512 ESP Fit Center 9052 is at -3.509282 -6.341075 0.239512 ESP Fit Center 9053 is at -3.166592 -6.581029 0.239512 ESP Fit Center 9054 is at -2.787440 -6.757831 0.239512 ESP Fit Center 9055 is at -2.383347 -6.866107 0.239512 ESP Fit Center 9056 is at -1.966592 -6.902569 0.239512 ESP Fit Center 9057 is at -1.549836 -6.866107 0.239512 ESP Fit Center 9058 is at -1.145743 -6.757831 0.239512 ESP Fit Center 9059 is at -0.766592 -6.581029 0.239512 ESP Fit Center 9060 is at -0.423901 -6.341075 0.239512 ESP Fit Center 9061 is at -4.244955 -5.131357 -0.177244 ESP Fit Center 9062 is at -4.096066 -5.528069 -0.177244 ESP Fit Center 9063 is at -3.878734 -5.891822 -0.177244 ESP Fit Center 9064 is at -3.599945 -6.210922 -0.177244 ESP Fit Center 9065 is at -3.268658 -6.475115 -0.177244 ESP Fit Center 9066 is at -2.895521 -6.675908 -0.177244 ESP Fit Center 9067 is at -2.492528 -6.806848 -0.177244 ESP Fit Center 9068 is at -2.072631 -6.863727 -0.177244 ESP Fit Center 9069 is at -1.649326 -6.844717 -0.177244 ESP Fit Center 9070 is at -1.236218 -6.750427 -0.177244 ESP Fit Center 9071 is at -0.846585 -6.583890 -0.177244 ESP Fit Center 9072 is at -0.492949 -6.350457 -0.177244 ESP Fit Center 9073 is at -4.130500 -5.137949 -0.581336 ESP Fit Center 9074 is at -3.971149 -5.535990 -0.581336 ESP Fit Center 9075 is at -3.739347 -5.896679 -0.581336 ESP Fit Center 9076 is at -3.443474 -6.206982 -0.581336 ESP Fit Center 9077 is at -3.094223 -6.455683 -0.581336 ESP Fit Center 9078 is at -2.704216 -6.633793 -0.581336 ESP Fit Center 9079 is at -2.287549 -6.734875 -0.581336 ESP Fit Center 9080 is at -1.859282 -6.755276 -0.581336 ESP Fit Center 9081 is at -1.434893 -6.694258 -0.581336 ESP Fit Center 9082 is at -1.029722 -6.554027 -0.581336 ESP Fit Center 9083 is at -0.658411 -6.339651 -0.581336 ESP Fit Center 9084 is at -3.949733 -5.124783 -0.960488 ESP Fit Center 9085 is at -3.783887 -5.511250 -0.960488 ESP Fit Center 9086 is at -3.543641 -5.856421 -0.960488 ESP Fit Center 9087 is at -3.238830 -6.146165 -0.960488 ESP Fit Center 9088 is at -2.881934 -6.368620 -0.960488 ESP Fit Center 9089 is at -2.487563 -6.514679 -0.960488 ESP Fit Center 9090 is at -2.071864 -6.578362 -0.960488 ESP Fit Center 9091 is at -1.651855 -6.557061 -0.960488 ESP Fit Center 9092 is at -1.244731 -6.451650 -0.960488 ESP Fit Center 9093 is at -0.867160 -6.266442 -0.960488 ESP Fit Center 9094 is at -3.694223 -5.131375 -1.303178 ESP Fit Center 9095 is at -3.502641 -5.512844 -1.303178 ESP Fit Center 9096 is at -3.228251 -5.839850 -1.303178 ESP Fit Center 9097 is at -2.885845 -6.094762 -1.303178 ESP Fit Center 9098 is at -2.493881 -6.263839 -1.303178 ESP Fit Center 9099 is at -2.073491 -6.337965 -1.303178 ESP Fit Center 9100 is at -1.647338 -6.313144 -1.303178 ESP Fit Center 9101 is at -1.238396 -6.190715 -1.303178 ESP Fit Center 9102 is at -3.163274 -5.476142 -1.598995 ESP Fit Center 9103 is at -2.856231 -5.762900 -1.598995 ESP Fit Center 9104 is at -2.483207 -5.956185 -1.598995 ESP Fit Center 9105 is at -2.071868 -6.041662 -1.598995 ESP Fit Center 9106 is at -1.652722 -6.012992 -1.598995 ESP Fit Center 9107 is at -2.566592 -5.541799 -1.838949 ESP Fit Center 9108 is at -2.174969 -5.684338 -1.838949 ESP Fit Center 9109 is at -3.115630 0.799379 3.223043 ESP Fit Center 9110 is at -2.707130 0.799379 3.195101 ESP Fit Center 9111 is at -2.911380 1.153150 3.195101 ESP Fit Center 9112 is at -3.319880 1.153150 3.195101 ESP Fit Center 9113 is at -3.524130 0.799379 3.195101 ESP Fit Center 9114 is at -3.319880 0.445608 3.195101 ESP Fit Center 9115 is at -2.911380 0.445608 3.195101 ESP Fit Center 9116 is at -2.306240 0.799379 3.111795 ESP Fit Center 9117 is at -2.710935 1.500332 3.111795 ESP Fit Center 9118 is at -3.115630 1.608769 3.111795 ESP Fit Center 9119 is at -3.520325 1.500332 3.111795 ESP Fit Center 9120 is at -3.816583 1.204074 3.111795 ESP Fit Center 9121 is at -3.925021 0.799379 3.111795 ESP Fit Center 9122 is at -3.816583 0.394684 3.111795 ESP Fit Center 9123 is at -3.520325 0.098426 3.111795 ESP Fit Center 9124 is at -3.115630 -0.010011 3.111795 ESP Fit Center 9125 is at -2.710935 0.098426 3.111795 ESP Fit Center 9126 is at -2.414678 0.394684 3.111795 ESP Fit Center 9127 is at -4.310834 0.799379 2.974677 ESP Fit Center 9128 is at -4.238754 0.390595 2.974677 ESP Fit Center 9129 is at -4.031209 0.031117 2.974677 ESP Fit Center 9130 is at -3.713232 -0.235697 2.974677 ESP Fit Center 9131 is at -3.323175 -0.377666 2.974677 ESP Fit Center 9132 is at -2.908085 -0.377666 2.974677 ESP Fit Center 9133 is at -2.518029 -0.235697 2.974677 ESP Fit Center 9134 is at -2.200051 0.031117 2.974677 ESP Fit Center 9135 is at -4.545335 0.178371 2.786301 ESP Fit Center 9136 is at -4.324772 -0.184330 2.786301 ESP Fit Center 9137 is at -4.014532 -0.474074 2.786301 ESP Fit Center 9138 is at -3.637624 -0.669372 2.786301 ESP Fit Center 9139 is at -3.222003 -0.755739 2.786301 ESP Fit Center 9140 is at -2.051699 -0.339813 2.786301 ESP Fit Center 9141 is at -1.783802 -0.010523 2.786301 ESP Fit Center 9142 is at -4.737887 -0.176700 2.550177 ESP Fit Center 9143 is at -4.490131 -0.502617 2.550177 ESP Fit Center 9144 is at -5.064409 -0.205286 2.270702 ESP Fit Center 9145 is at -1.496376 2.639209 -1.506998 ESP Fit Center 9146 is at -1.528838 2.312383 -1.824617 ESP Fit Center 9147 is at -1.843851 2.585343 -1.824617 ESP Fit Center 9148 is at -1.889957 2.242353 -2.104091 ESP Fit Center 9149 is at -1.783802 1.609281 -2.340215 ESP Fit Center 9150 is at -2.051699 1.938571 -2.340215 ESP Fit Center 9151 is at -2.398503 2.183372 -2.340215 ESP Fit Center 9152 is at -1.992507 1.208163 -2.528591 ESP Fit Center 9153 is at -2.200051 1.567641 -2.528591 ESP Fit Center 9154 is at -2.518029 1.834455 -2.528591 ESP Fit Center 9155 is at -2.414678 1.204074 -2.665709 ESP Fit Center 9156 is at -2.710935 1.500332 -2.665709 ESP Fit Center 9157 is at -2.225494 1.143866 3.123969 ESP Fit Center 9158 is at -1.808739 1.143866 3.087507 ESP Fit Center 9159 is at -2.017117 1.504787 3.087507 ESP Fit Center 9160 is at -2.433872 1.504787 3.087507 ESP Fit Center 9161 is at -2.017117 0.782945 3.087507 ESP Fit Center 9162 is at -1.404646 1.143866 2.979231 ESP Fit Center 9163 is at -1.514619 1.554290 2.979231 ESP Fit Center 9164 is at -1.815070 1.854741 2.979231 ESP Fit Center 9165 is at -2.225494 1.964714 2.979231 ESP Fit Center 9166 is at -1.815070 0.432990 2.979231 ESP Fit Center 9167 is at -1.514619 0.733442 2.979231 ESP Fit Center 9168 is at -1.025494 1.143866 2.802430 ESP Fit Center 9169 is at -1.097863 1.554290 2.802430 ESP Fit Center 9170 is at -1.306241 1.915211 2.802430 ESP Fit Center 9171 is at -1.625494 2.183096 2.802430 ESP Fit Center 9172 is at -1.625494 0.104635 2.802430 ESP Fit Center 9173 is at -1.306241 0.372521 2.802430 ESP Fit Center 9174 is at -1.097863 0.733442 2.802430 ESP Fit Center 9175 is at -0.740011 1.560079 2.562475 ESP Fit Center 9176 is at -0.907390 1.945423 2.562475 ESP Fit Center 9177 is at -1.172526 2.271319 2.562475 ESP Fit Center 9178 is at -0.582545 1.968986 2.266659 ESP Fit Center 9179 is at -0.817117 2.325635 2.266659 ESP Fit Center 9180 is at -4.078168 1.732827 3.115971 ESP Fit Center 9181 is at -3.669669 1.732827 3.088029 ESP Fit Center 9182 is at -4.486668 1.732827 3.088029 ESP Fit Center 9183 is at -4.282418 1.379055 3.088029 ESP Fit Center 9184 is at -3.873918 1.379055 3.088029 ESP Fit Center 9185 is at -4.887559 1.732827 3.004723 ESP Fit Center 9186 is at -4.779121 1.328131 3.004723 ESP Fit Center 9187 is at -4.482864 1.031874 3.004723 ESP Fit Center 9188 is at -5.273372 1.732827 2.867605 ESP Fit Center 9189 is at -5.201292 1.324043 2.867605 ESP Fit Center 9190 is at -4.993747 0.964565 2.867605 ESP Fit Center 9191 is at -4.675770 0.697750 2.867605 ESP Fit Center 9192 is at -5.622402 1.945077 2.679230 ESP Fit Center 9193 is at -5.622402 1.520577 2.679230 ESP Fit Center 9194 is at -5.507873 1.111818 2.679230 ESP Fit Center 9195 is at -5.287310 0.749117 2.679230 ESP Fit Center 9196 is at -4.977070 0.459373 2.679230 ESP Fit Center 9197 is at -5.960334 1.937524 2.443105 ESP Fit Center 9198 is at -5.960334 1.528129 2.443105 ESP Fit Center 9199 is at -5.872326 1.128305 2.443105 ESP Fit Center 9200 is at -5.700425 0.756747 2.443105 ESP Fit Center 9201 is at -5.452669 0.430830 2.443105 ESP Fit Center 9202 is at -5.140644 0.165793 2.443105 ESP Fit Center 9203 is at -5.801596 0.377508 2.163631 ESP Fit Center 9204 is at -5.513956 0.075840 2.163631 ESP Fit Center 9205 is at -2.359889 2.527787 -2.211163 ESP Fit Center 9206 is at -2.577219 2.153373 -2.447287 ESP Fit Center 9207 is at -2.746341 2.542729 -2.447287 ESP Fit Center 9208 is at -2.882965 1.732827 -2.635663 ESP Fit Center 9209 is at -2.955045 2.141610 -2.635663 ESP Fit Center 9210 is at -3.162590 2.501088 -2.635663 ESP Fit Center 9211 is at -6.426251 1.042599 2.149508 ESP Fit Center 9212 is at -6.218706 0.683120 2.149508 ESP Fit Center 9213 is at -5.900729 0.416306 2.149508 ESP Fit Center 9214 is at -6.732832 0.830374 1.961133 ESP Fit Center 9215 is at -6.512269 0.467673 1.961133 ESP Fit Center 9216 is at -6.202029 0.177929 1.961133 ESP Fit Center 9217 is at -5.825121 -0.017369 1.961133 ESP Fit Center 9218 is at -7.097285 0.846860 1.725008 ESP Fit Center 9219 is at -6.925384 0.475303 1.725008 ESP Fit Center 9220 is at -6.677628 0.149386 1.725008 ESP Fit Center 9221 is at -6.365602 -0.115651 1.725008 ESP Fit Center 9222 is at -6.003896 -0.307416 1.725008 ESP Fit Center 9223 is at -5.609423 -0.416941 1.725008 ESP Fit Center 9224 is at -7.251906 0.446717 1.445534 ESP Fit Center 9225 is at -7.026555 0.096064 1.445534 ESP Fit Center 9226 is at -6.738915 -0.205605 1.445534 ESP Fit Center 9227 is at -7.536466 0.441850 1.127915 ESP Fit Center 9228 is at -7.333730 0.078935 1.127915 ESP Fit Center 9229 is at -7.676462 0.242108 0.778070 ESP Fit Center 9230 is at -7.458070 -0.114275 0.778070 ESP Fit Center 9231 is at -7.943388 0.441568 0.402513 ESP Fit Center 9232 is at -7.768221 0.067904 0.402513 ESP Fit Center 9233 is at -8.063241 0.446783 0.008242 ESP Fit Center 9234 is at -7.896567 0.072426 0.008242 ESP Fit Center 9235 is at -8.230729 0.829101 -0.397398 ESP Fit Center 9236 is at -8.115633 0.427714 -0.397398 ESP Fit Center 9237 is at -7.945795 0.046251 -0.397398 ESP Fit Center 9238 is at -8.230729 0.829101 -0.806853 ESP Fit Center 9239 is at -8.115633 0.427714 -0.806853 ESP Fit Center 9240 is at -7.945795 0.046251 -0.806853 ESP Fit Center 9241 is at -6.403441 4.174755 -1.212494 ESP Fit Center 9242 is at -8.233224 1.246490 -1.212494 ESP Fit Center 9243 is at -8.176193 0.840693 -1.212494 ESP Fit Center 9244 is at 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6.074738 -0.889797 ESP Fit Center 9792 is at -4.216543 6.017859 -0.889797 ESP Fit Center 9793 is at -4.619536 5.886919 -0.889797 ESP Fit Center 9794 is at -4.992673 5.686126 -0.889797 ESP Fit Center 9795 is at -5.323959 5.421933 -0.889797 ESP Fit Center 9796 is at -1.476099 4.140391 -1.293890 ESP Fit Center 9797 is at -1.596893 4.551776 -1.293890 ESP Fit Center 9798 is at -1.793359 4.932867 -1.293890 ESP Fit Center 9799 is at -2.058396 5.269889 -1.293890 ESP Fit Center 9800 is at -2.382426 5.550662 -1.293890 ESP Fit Center 9801 is at -2.753736 5.765038 -1.293890 ESP Fit Center 9802 is at -3.158908 5.905270 -1.293890 ESP Fit Center 9803 is at -3.583297 5.966288 -1.293890 ESP Fit Center 9804 is at -4.011564 5.945887 -1.293890 ESP Fit Center 9805 is at -4.428230 5.844804 -1.293890 ESP Fit Center 9806 is at -4.818237 5.666694 -1.293890 ESP Fit Center 9807 is at -5.167489 5.417993 -1.293890 ESP Fit Center 9808 is at -5.463362 5.107690 -1.293890 ESP Fit Center 9809 is at -5.695163 4.747001 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ESP Fit Center 9828 is at -2.047657 4.538700 -2.015732 ESP Fit Center 9829 is at -2.282228 4.895349 -2.015732 ESP Fit Center 9830 is at -2.592726 5.188289 -2.015732 ESP Fit Center 9831 is at -2.962411 5.401726 -2.015732 ESP Fit Center 9832 is at -3.371353 5.524155 -2.015732 ESP Fit Center 9833 is at -3.797506 5.548976 -2.015732 ESP Fit Center 9834 is at -4.217896 5.474850 -2.015732 ESP Fit Center 9835 is at -4.609860 5.305773 -2.015732 ESP Fit Center 9836 is at -4.952266 5.050861 -2.015732 ESP Fit Center 9837 is at -5.226656 4.723856 -2.015732 ESP Fit Center 9838 is at -5.418237 4.342386 -2.015732 ESP Fit Center 9839 is at -2.047657 2.888459 -2.015732 ESP Fit Center 9840 is at -1.901657 3.289591 -2.015732 ESP Fit Center 9841 is at -2.147916 3.713580 -2.311548 ESP Fit Center 9842 is at -2.205123 4.129793 -2.311548 ESP Fit Center 9843 is at -2.372502 4.515137 -2.311548 ESP Fit Center 9844 is at -2.637638 4.841033 -2.311548 ESP Fit Center 9845 is at -2.980868 5.083312 -2.311548 ESP Fit Center 9846 is at -3.376737 5.224003 -2.311548 ESP Fit Center 9847 is at -3.795883 5.252674 -2.311548 ESP Fit Center 9848 is at -4.207222 5.167196 -2.311548 ESP Fit Center 9849 is at -4.580245 4.973911 -2.311548 ESP Fit Center 9850 is at -4.887288 4.687153 -2.311548 ESP Fit Center 9851 is at -5.105579 4.328189 -2.311548 ESP Fit Center 9852 is at -2.372502 2.912023 -2.311548 ESP Fit Center 9853 is at -2.205123 3.297367 -2.311548 ESP Fit Center 9854 is at -2.490606 3.713580 -2.551502 ESP Fit Center 9855 is at -2.562975 4.124004 -2.551502 ESP Fit Center 9856 is at -2.771353 4.484925 -2.551502 ESP Fit Center 9857 is at -3.090606 4.752810 -2.551502 ESP Fit Center 9858 is at -3.482228 4.895349 -2.551502 ESP Fit Center 9859 is at -3.898984 4.895349 -2.551502 ESP Fit Center 9860 is at -4.290606 4.752810 -2.551502 ESP Fit Center 9861 is at -4.609860 4.484925 -2.551502 ESP Fit Center 9862 is at -4.818237 4.124004 -2.551502 ESP Fit Center 9863 is at -2.771353 2.942235 -2.551502 ESP Fit Center 9864 is at -2.562975 3.303156 -2.551502 ESP Fit Center 9865 is at -2.869758 3.713580 -2.728304 ESP Fit Center 9866 is at -2.979731 4.124004 -2.728304 ESP Fit Center 9867 is at -3.280182 4.424455 -2.728304 ESP Fit Center 9868 is at -3.690606 4.534428 -2.728304 ESP Fit Center 9869 is at -4.101030 4.424455 -2.728304 ESP Fit Center 9870 is at -4.401482 4.124004 -2.728304 ESP Fit Center 9871 is at -3.280182 3.002704 -2.728304 ESP Fit Center 9872 is at -2.979731 3.303156 -2.728304 ESP Fit Center 9873 is at -3.273851 3.713580 -2.836580 ESP Fit Center 9874 is at -3.482228 4.074501 -2.836580 ESP Fit Center 9875 is at -3.898984 4.074501 -2.836580 ESP Fit Center 9876 is at -4.107362 3.713580 -2.836580 ESP Fit Center 9877 is at -3.482228 3.352659 -2.836580 ESP Fit Center 9878 is at -3.690606 3.713580 -2.873041 ESP Fit Center 9879 is at -2.890184 3.191389 3.403913 ESP Fit Center 9880 is at -2.473429 3.191389 3.367451 ESP Fit Center 9881 is at -2.681806 3.552310 3.367451 ESP Fit Center 9882 is at -3.098562 3.552310 3.367451 ESP Fit Center 9883 is at -3.098562 2.830468 3.367451 ESP Fit Center 9884 is at -2.681806 2.830468 3.367451 ESP Fit Center 9885 is at -2.069336 3.191389 3.259175 ESP Fit Center 9886 is at -2.179309 3.601813 3.259175 ESP Fit Center 9887 is at -2.479760 3.902264 3.259175 ESP Fit Center 9888 is at -2.890184 4.012237 3.259175 ESP Fit Center 9889 is at -2.890184 2.370540 3.259175 ESP Fit Center 9890 is at -2.479760 2.480513 3.259175 ESP Fit Center 9891 is at -2.179309 2.780965 3.259175 ESP Fit Center 9892 is at -1.690184 3.191389 3.082374 ESP Fit Center 9893 is at -1.762553 3.601813 3.082374 ESP Fit Center 9894 is at -1.970931 3.962734 3.082374 ESP Fit Center 9895 is at -2.290184 4.230619 3.082374 ESP Fit Center 9896 is at -2.681806 4.373158 3.082374 ESP Fit Center 9897 is at -3.098562 4.373158 3.082374 ESP Fit Center 9898 is at -2.681806 2.009619 3.082374 ESP Fit Center 9899 is at -2.290184 2.152158 3.082374 ESP Fit Center 9900 is at -1.970931 2.420044 3.082374 ESP Fit Center 9901 is at -1.762553 2.780965 3.082374 ESP Fit Center 9902 is at -1.347494 3.191389 2.842420 ESP Fit Center 9903 is at -1.404701 3.607602 2.842420 ESP Fit Center 9904 is at -1.572080 3.992946 2.842420 ESP Fit Center 9905 is at -1.837216 4.318842 2.842420 ESP Fit Center 9906 is at -2.180446 4.561121 2.842420 ESP Fit Center 9907 is at -2.576315 4.701812 2.842420 ESP Fit Center 9908 is at -2.995461 4.730483 2.842420 ESP Fit Center 9909 is at -1.572080 2.389832 2.842420 ESP Fit Center 9910 is at -1.404701 2.775176 2.842420 ESP Fit Center 9911 is at -1.051678 3.191389 2.546603 ESP Fit Center 9912 is at -1.101235 3.615378 2.546603 ESP Fit Center 9913 is at -1.247235 4.016509 2.546603 ESP Fit Center 9914 is at -1.481806 4.373158 2.546603 ESP Fit Center 9915 is at -1.792304 4.666098 2.546603 ESP Fit Center 9916 is at -2.161989 4.879535 2.546603 ESP Fit Center 9917 is at -2.570931 5.001964 2.546603 ESP Fit Center 9918 is at -1.247235 2.366268 2.546603 ESP Fit Center 9919 is at -1.101235 2.767400 2.546603 ESP Fit Center 9920 is at -0.811723 3.191389 2.203913 ESP Fit Center 9921 is at -0.854270 3.609780 2.203913 ESP Fit Center 9922 is at -0.980166 4.011042 2.203913 ESP Fit Center 9923 is at -1.184260 4.378747 2.203913 ESP Fit Center 9924 is at -1.458193 4.697842 2.203913 ESP Fit Center 9925 is at -1.790753 4.955263 2.203913 ESP Fit Center 9926 is at -2.168324 5.140470 2.203913 ESP Fit Center 9927 is at -2.575448 5.245882 2.203913 ESP Fit Center 9928 is at -0.854270 2.772998 2.203913 ESP Fit Center 9929 is at -0.675678 3.618200 1.824761 ESP Fit Center 9930 is at -0.796471 4.029585 1.824761 ESP Fit Center 9931 is at -0.992937 4.410676 1.824761 ESP Fit Center 9932 is at -1.257974 4.747698 1.824761 ESP Fit Center 9933 is at -1.582004 5.028471 1.824761 ESP Fit Center 9934 is at -1.953314 5.242847 1.824761 ESP Fit Center 9935 is at -2.358486 5.383079 1.824761 ESP Fit Center 9936 is at -0.677357 4.021877 1.420669 ESP Fit Center 9937 is at -0.861207 4.403646 1.420669 ESP Fit Center 9938 is at -1.110271 4.746452 1.420669 ESP Fit Center 9939 is at -1.416542 5.039278 1.420669 ESP Fit Center 9940 is at -1.770177 5.272710 1.420669 ESP Fit Center 9941 is at -2.159811 5.439247 1.420669 ESP Fit Center 9942 is at -0.634922 4.012237 1.003913 ESP Fit Center 9943 is at -0.811723 4.391389 1.003913 ESP Fit Center 9944 is at -1.051678 4.734079 1.003913 ESP Fit Center 9945 is at -1.347494 5.029895 1.003913 ESP Fit Center 9946 is at -1.690184 5.269850 1.003913 ESP Fit Center 9947 is at -0.677357 4.021877 0.587157 ESP Fit Center 9948 is at -0.861207 4.403646 0.587157 ESP Fit Center 9949 is at -1.110271 4.746452 0.587157 ESP Fit Center 9950 is at -1.416542 5.039278 0.587157 ESP Fit Center 9951 is at -0.796471 4.029585 0.183065 ESP Fit Center 9952 is at -0.992937 4.410676 0.183065 ESP Fit Center 9953 is at -1.257974 4.747698 0.183065 ESP Fit Center 9954 is at -0.854270 3.609780 -0.196087 ESP Fit Center 9955 is at -0.980166 4.011042 -0.196087 ESP Fit Center 9956 is at 3.357866 2.134873 2.783077 ESP Fit Center 9957 is at 3.550772 1.800750 2.645959 ESP Fit Center 9958 is at 3.868749 2.067564 2.645959 ESP Fit Center 9959 is at 4.017102 1.696634 2.457584 ESP Fit Center 9960 is at 1.229743 4.191144 -2.153334 ESP Fit Center 9961 is at 1.004392 3.840491 -2.153334 ESP Fit Center 9962 is at 2.252401 4.594624 -2.432808 ESP Fit Center 9963 is at 1.890695 4.402860 -2.432808 ESP Fit Center 9964 is at 1.578670 4.137822 -2.432808 ESP Fit Center 9965 is at 1.330914 3.811905 -2.432808 ESP Fit Center 9966 is at 1.159013 3.440348 -2.432808 ESP Fit Center 9967 is at 2.846798 4.390944 -2.668933 ESP Fit Center 9968 is at 2.431176 4.304577 -2.668933 ESP Fit Center 9969 is at 2.054269 4.109279 -2.668933 ESP Fit Center 9970 is at 1.744029 3.819535 -2.668933 ESP Fit Center 9971 is at 1.523466 3.456834 -2.668933 ESP Fit Center 9972 is at 1.408937 3.048076 -2.668933 ESP Fit Center 9973 is at 2.745626 4.012871 -2.857308 ESP Fit Center 9974 is at 2.355569 3.870902 -2.857308 ESP Fit Center 9975 is at 2.037592 3.604088 -2.857308 ESP Fit Center 9976 is at 1.830047 3.244609 -2.857308 ESP Fit Center 9977 is at 1.757967 2.835826 -2.857308 ESP Fit Center 9978 is at 2.548475 3.536778 -2.994426 ESP Fit Center 9979 is at 2.252218 3.240521 -2.994426 ESP Fit Center 9980 is at 2.143780 2.835826 -2.994426 ESP Fit Center 9981 is at 2.252218 2.431131 -2.994426 ESP Fit Center 9982 is at 2.748921 3.189597 -3.077732 ESP Fit Center 9983 is at 2.544671 2.835826 -3.077732 ESP Fit Center 9984 is at 0.861941 2.616036 2.793783 ESP Fit Center 9985 is at 0.653563 2.255115 2.793783 ESP Fit Center 9986 is at 0.659895 2.965991 2.685507 ESP Fit Center 9987 is at 0.359444 2.665540 2.685507 ESP Fit Center 9988 is at 0.249471 2.255115 2.685507 ESP Fit Center 9989 is at 0.359444 1.844691 2.685507 ESP Fit Center 9990 is at 0.151066 3.026461 2.508706 ESP Fit Center 9991 is at -0.057312 2.665540 2.508706 ESP Fit Center 9992 is at -0.129681 2.255115 2.508706 ESP Fit Center 9993 is at -0.057312 1.844691 2.508706 ESP Fit Center 9994 is at 0.151066 1.483770 2.508706 ESP Fit Center 9995 is at -0.126363 3.228689 2.268751 ESP Fit Center 9996 is at -0.344654 2.869725 2.268751 ESP Fit Center 9997 is at -0.458002 2.465178 2.268751 ESP Fit Center 9998 is at -0.458002 2.045052 2.268751 ESP Fit Center 9999 is at -0.191341 3.592397 1.972935 ESP Fit Center **** is at -0.465731 3.265391 1.972935 ESP Fit Center **** is at -0.657312 2.883922 1.972935 ESP Fit Center **** is at -0.506730 3.608968 1.630245 ESP Fit Center **** is at -0.563034 3.963469 0.013489 ESP Fit Center **** is at -0.406564 3.959529 -0.390604 ESP Fit Center **** is at -0.702437 3.649226 -0.390604 ESP Fit Center **** is at -0.201919 3.898712 -0.769755 ESP Fit Center **** is at -0.506730 3.608968 -0.769755 ESP Fit Center **** is at -0.746976 3.263797 -0.769755 ESP Fit Center **** is at -0.191341 3.592397 -1.112445 ESP Fit Center **** is at -0.465731 3.265391 -1.112445 ESP Fit Center **** is at 2.094458 4.545234 3.386440 ESP Fit Center **** is at 1.986020 4.140538 3.386440 ESP Fit Center **** is at 2.094458 3.735843 3.386440 ESP Fit Center **** is at 2.197809 5.175615 3.249322 ESP Fit Center **** is at 1.879831 4.908800 3.249322 ESP Fit Center **** is at 1.672286 4.549322 3.249322 ESP Fit Center **** is at 1.600207 4.140538 3.249322 ESP Fit Center **** is at 1.672286 3.731755 3.249322 ESP Fit Center **** is at 1.879831 3.372277 3.249322 ESP Fit Center **** is at 2.197809 3.105462 3.249322 ESP Fit Center **** is at 2.273416 5.609289 3.060947 ESP Fit Center **** is at 1.896509 5.413992 3.060947 ESP Fit Center **** is at 1.586269 5.124248 3.060947 ESP Fit Center **** is at 1.365705 3.519530 3.060947 ESP Fit Center **** is at 1.586269 3.156829 3.060947 ESP Fit Center **** is at 1.896509 2.867085 3.060947 ESP Fit Center **** is at 2.273416 2.671788 3.060947 ESP Fit Center **** is at 2.689037 2.585420 3.060947 ESP Fit Center **** is at 2.489114 6.008861 2.824822 ESP Fit Center **** is at 2.094641 5.899336 2.824822 ESP Fit Center **** is at 1.732935 5.707572 2.824822 ESP Fit Center **** is at 1.173153 3.164459 2.824822 ESP Fit Center **** is at 2.899734 6.330563 2.545348 ESP Fit Center **** is at 2.483384 6.310730 2.545348 ESP Fit Center **** is at 2.078311 6.212460 2.545348 ESP Fit Center **** is at 1.699156 6.039306 2.545348 ESP Fit Center **** is at 3.311766 6.536438 2.227729 ESP Fit Center **** is at 2.899430 6.589240 2.227729 ESP Fit Center **** is at 2.484101 6.571597 2.227729 ESP Fit Center **** is at 2.077728 6.484017 2.227729 ESP Fit Center **** is at 1.692001 6.329019 2.227729 ESP Fit Center **** is at 4.004685 6.513873 1.877884 ESP Fit Center **** is at 3.618525 6.673826 1.877884 ESP Fit Center **** is at 3.212098 6.771400 1.877884 ESP Fit Center **** is at 2.795410 6.804194 1.877884 ESP Fit Center **** is at 2.378723 6.771400 1.877884 ESP Fit Center **** is at 1.972295 6.673826 1.877884 ESP Fit Center **** is at 1.586136 6.513873 1.877884 ESP Fit Center **** is at 4.267995 6.553461 1.502327 ESP Fit Center **** is at 3.900978 6.742157 1.502327 ESP Fit Center **** is at 3.510398 6.875405 1.502327 ESP Fit Center **** is at 3.104579 6.950363 1.502327 ESP Fit Center **** is at 2.692170 6.965435 1.502327 ESP Fit Center **** is at 2.281962 6.920300 1.502327 ESP Fit Center **** is at 1.882697 6.815918 1.502327 ESP Fit Center **** is at 1.502885 6.654516 1.502327 ESP Fit Center **** is at 5.045476 6.028568 1.108056 ESP Fit Center **** is at 4.760816 6.323342 1.108056 ESP Fit Center **** is at 4.437901 6.575631 1.108056 ESP Fit Center **** is at 4.083017 6.780523 1.108056 ESP Fit Center **** is at 3.703071 6.934031 1.108056 ESP Fit Center **** is at 3.305459 7.033167 1.108056 ESP Fit Center **** is at 2.897919 7.076001 1.108056 ESP Fit Center **** is at 2.488384 7.061700 1.108056 ESP Fit Center **** is at 2.084825 6.990542 1.108056 ESP Fit Center **** is at 1.695096 6.863911 1.108056 ESP Fit Center **** is at 1.326784 6.684274 1.108056 ESP Fit Center **** is at 5.672473 4.965523 0.702416 ESP Fit Center **** is at 5.529658 5.357904 0.702416 ESP Fit Center **** is at 5.333623 5.726590 0.702416 ESP Fit Center **** is at 5.088186 6.064406 0.702416 ESP Fit Center **** is at 4.798122 6.364776 0.702416 ESP Fit Center **** is at 2.899865 7.131722 0.702416 ESP Fit Center **** is at 2.482556 7.117149 0.702416 ESP Fit Center **** is at 2.071336 7.044640 0.702416 ESP Fit Center **** is at 1.674210 6.915606 0.702416 ESP Fit Center **** is at 1.298907 6.732558 0.702416 ESP Fit Center **** is at 5.529658 5.357904 0.292961 ESP Fit Center **** is at 5.333623 5.726590 0.292961 ESP Fit Center **** is at 2.071336 7.044640 0.292961 ESP Fit Center **** is at 1.674210 6.915606 0.292961 ESP Fit Center **** is at 1.298907 6.732558 0.292961 ESP Fit Center **** is at 1.326784 6.684274 -0.112680 ESP Fit Center **** is at 0.987057 6.455125 -0.112680 ESP Fit Center **** is at 1.150621 6.439532 -0.506950 ESP Fit Center **** is at 0.833413 6.175549 -0.506950 ESP Fit Center **** is at 1.229753 6.295481 -0.882507 ESP Fit Center **** is at 0.911921 6.024027 -0.882507 ESP Fit Center **** is at 0.640467 5.706196 -0.882507 ESP Fit Center **** is at 1.025961 5.836418 -1.232353 ESP Fit Center **** is at 0.764808 5.512986 -1.232353 ESP Fit Center **** is at 0.562071 5.150071 -1.232353 ESP Fit Center **** is at 0.423584 4.758114 -1.232353 ESP Fit Center **** is at 0.353330 4.348390 -1.232353 ESP Fit Center **** is at 1.071983 5.495857 -1.549971 ESP Fit Center **** is at 0.846631 5.145204 -1.549971 ESP Fit Center **** is at 0.691714 4.758239 -1.549971 ESP Fit Center **** is at 0.612830 4.348950 -1.549971 ESP Fit Center **** is at 1.173153 5.116618 -1.829445 ESP Fit Center **** is at 1.001253 4.745061 -1.829445 ESP Fit Center **** is at 0.913245 4.345236 -1.829445 ESP Fit Center **** is at 1.586269 5.124248 -2.065570 ESP Fit Center **** is at 1.365705 4.761547 -2.065570 ESP Fit Center **** is at 1.251177 4.352788 -2.065570 ESP Fit Center **** is at 1.672286 4.549322 -2.253946 ESP Fit Center **** is at 5.860772 3.989709 1.466873 ESP Fit Center **** is at 6.180875 4.016416 1.149254 ESP Fit Center **** is at 5.893233 4.316535 1.149254 ESP Fit Center **** is at 6.647314 3.685980 0.799408 ESP Fit Center **** is at 6.428922 4.042363 0.799408 ESP Fit Center **** is at 6.157468 4.360194 0.799408 ESP Fit Center **** is at 5.839637 4.631648 0.799408 ESP Fit Center **** is at 6.980908 3.291099 0.423852 ESP Fit Center **** is at 6.833485 3.676552 0.423852 ESP Fit Center **** is at 6.631510 4.036433 0.423852 ESP Fit Center **** is at 7.182647 2.885492 0.029581 ESP Fit Center **** is at 7.097448 3.286322 0.029581 ESP Fit Center **** is at 6.957293 3.671393 0.029581 ESP Fit Center **** is at 7.266986 2.476705 -0.376060 ESP Fit Center **** is at 7.237858 2.893251 -0.376060 ESP Fit Center **** is at 7.151042 3.301690 -0.376060 ESP Fit Center **** is at 5.947647 -0.004609 -0.376060 ESP Fit Center **** is at 7.237858 2.060159 -0.376060 ESP Fit Center **** is at 7.266986 2.476705 -0.785514 ESP Fit Center **** is at 7.237858 2.893251 -0.785514 ESP Fit Center **** is at 7.151042 3.301690 -0.785514 ESP Fit Center **** is at 5.947647 -0.004609 -0.785514 ESP Fit Center **** is at 6.276692 0.252468 -0.785514 ESP Fit Center **** is at 6.566755 0.552838 -0.785514 ESP Fit Center **** is at 6.812193 0.890654 -0.785514 ESP Fit Center **** is at 7.008227 1.259340 -0.785514 ESP Fit Center **** is at 7.151042 1.651721 -0.785514 ESP Fit Center **** is at 7.237858 2.060159 -0.785514 ESP Fit Center **** is at 7.211232 2.476705 -1.191155 ESP Fit Center **** is at 7.182647 2.885492 -1.191155 ESP Fit Center **** is at 6.239385 0.293901 -1.191155 ESP Fit Center **** is at 6.524045 0.588676 -1.191155 ESP Fit Center **** is at 6.764911 0.920199 -1.191155 ESP Fit Center **** is at 6.957293 1.282017 -1.191155 ESP Fit Center **** is at 7.097448 1.667089 -1.191155 ESP Fit Center **** is at 7.182647 2.067919 -1.191155 ESP Fit Center **** is at 7.100762 2.476705 -1.585426 ESP Fit Center **** is at 7.070638 2.888288 -1.585426 ESP Fit Center **** is at 6.379289 0.590340 -1.585426 ESP Fit Center **** is at 6.631510 0.916978 -1.585426 ESP Fit Center **** is at 6.833485 1.276858 -1.585426 ESP Fit Center **** is at 6.980908 1.662312 -1.585426 ESP Fit Center **** is at 7.070638 2.065122 -1.585426 ESP Fit Center **** is at 6.937635 2.476705 -1.960982 ESP Fit Center **** is at 6.904841 2.893393 -1.960982 ESP Fit Center **** is at 6.428922 0.911048 -1.960982 ESP Fit Center **** is at 6.647314 1.267431 -1.960982 ESP Fit Center **** is at 6.807266 1.653590 -1.960982 ESP Fit Center **** is at 6.904841 2.060018 -1.960982 ESP Fit Center **** is at 6.724889 2.476705 -2.310828 ESP Fit Center **** is at 6.413658 1.281409 -2.310828 ESP Fit Center **** is at 6.584887 1.660210 -2.310828 ESP Fit Center **** is at 6.689635 2.062500 -2.310828 ESP Fit Center **** is at 6.466487 2.476705 -2.628446 ESP Fit Center **** is at 6.309433 1.661832 -2.628446 ESP Fit Center **** is at 6.426866 2.061770 -2.628446 ESP Fit Center **** is at 6.167243 2.476705 -2.907921 ESP Fit Center **** is at 3.573210 4.235503 -2.907921 ESP Fit Center **** is at 3.211504 4.043739 -2.907921 ESP Fit Center **** is at 6.122980 2.069710 -2.907921 ESP Fit Center **** is at 5.832731 2.476705 -3.144045 ESP Fit Center **** is at 5.774929 2.897252 -3.144045 ESP Fit Center **** is at 3.751985 3.945456 -3.144045 ESP Fit Center **** is at 3.375078 3.750159 -3.144045 ESP Fit Center **** is at 3.064838 3.460415 -3.144045 ESP Fit Center **** is at 2.844275 3.097714 -3.144045 ESP Fit Center **** is at 2.729746 2.688955 -3.144045 ESP Fit Center **** is at 5.774929 2.056159 -3.144045 ESP Fit Center **** is at 5.469183 2.476705 -3.332421 ESP Fit Center **** is at 5.397103 2.885489 -3.332421 ESP Fit Center **** is at 4.066435 3.653751 -3.332421 ESP Fit Center **** is at 3.676378 3.511782 -3.332421 ESP Fit Center **** is at 3.358401 3.244967 -3.332421 ESP Fit Center **** is at 3.150856 2.885489 -3.332421 ESP Fit Center **** is at 3.078776 2.476705 -3.332421 ESP Fit Center **** is at 5.083370 2.476705 -3.469539 ESP Fit Center **** is at 4.974932 2.881400 -3.469539 ESP Fit Center **** is at 4.678675 3.177658 -3.469539 ESP Fit Center **** is at 4.273979 3.286096 -3.469539 ESP Fit Center **** is at 3.869284 3.177658 -3.469539 ESP Fit Center **** is at 3.573027 2.881400 -3.469539 ESP Fit Center **** is at 4.478229 2.830477 -3.552845 ESP Fit Center **** is at 4.069729 2.830477 -3.552845 ESP Fit Center **** is at 4.721209 6.469458 0.617465 ESP Fit Center **** is at 4.397180 6.750232 0.617465 ESP Fit Center **** is at 4.025869 6.964608 0.617465 ESP Fit Center **** is at 3.620697 7.104839 0.617465 ESP Fit Center **** is at 3.196309 7.165857 0.617465 ESP Fit Center **** is at 2.768042 7.145456 0.617465 ESP Fit Center **** is at 5.117976 6.125406 0.213373 ESP Fit Center **** is at 4.868913 6.468213 0.213373 ESP Fit Center **** is at 4.562641 6.761038 0.213373 ESP Fit Center **** is at 4.209006 6.994471 0.213373 ESP Fit Center **** is at 3.819373 7.161008 0.213373 ESP Fit Center **** is at 3.406265 7.255297 0.213373 ESP Fit Center **** is at 2.982959 7.274308 0.213373 ESP Fit Center **** is at 2.563062 7.217429 0.213373 ESP Fit Center **** is at 2.160069 7.086489 0.213373 ESP Fit Center **** is at 5.344261 5.733997 -0.203383 ESP Fit Center **** is at 5.167460 6.113149 -0.203383 ESP Fit Center **** is at 4.927506 6.455839 -0.203383 ESP Fit Center **** is at 4.631689 6.751656 -0.203383 ESP Fit Center **** is at 4.288999 6.991610 -0.203383 ESP Fit Center **** is at 3.909848 7.168411 -0.203383 ESP Fit Center **** is at 3.505755 7.276688 -0.203383 ESP Fit Center **** is at 3.088999 7.313149 -0.203383 ESP Fit Center **** is at 2.672244 7.276688 -0.203383 ESP Fit Center **** is at 2.268151 7.168411 -0.203383 ESP Fit Center **** is at 1.888999 6.991610 -0.203383 ESP Fit Center **** is at 5.301826 5.743637 -0.620139 ESP Fit Center **** is at 5.117976 6.125406 -0.620139 ESP Fit Center **** is at 4.868913 6.468213 -0.620139 ESP Fit Center **** is at 4.562641 6.761038 -0.620139 ESP Fit Center **** is at 4.209006 6.994471 -0.620139 ESP Fit Center **** is at 3.819373 7.161008 -0.620139 ESP Fit Center **** is at 3.406265 7.255297 -0.620139 ESP Fit Center **** is at 2.982959 7.274308 -0.620139 ESP Fit Center **** is at 2.563062 7.217429 -0.620139 ESP Fit Center **** is at 2.160069 7.086489 -0.620139 ESP Fit Center **** is at 1.786933 6.885695 -0.620139 ESP Fit Center **** is at 1.455646 6.621503 -0.620139 ESP Fit Center **** is at 5.182712 5.751345 -1.024231 ESP Fit Center **** is at 4.986247 6.132436 -1.024231 ESP Fit Center **** is at 4.721209 6.469458 -1.024231 ESP Fit Center **** is at 4.397180 6.750232 -1.024231 ESP Fit Center **** is at 4.025869 6.964608 -1.024231 ESP Fit Center **** is at 3.620697 7.104839 -1.024231 ESP Fit Center **** is at 3.196309 7.165857 -1.024231 ESP Fit Center **** is at 2.768042 7.145456 -1.024231 ESP Fit Center **** is at 2.351375 7.044374 -1.024231 ESP Fit Center **** is at 1.961368 6.866264 -1.024231 ESP Fit Center **** is at 1.612116 6.617563 -1.024231 ESP Fit Center **** is at 1.316243 6.307260 -1.024231 ESP Fit Center **** is at 4.999017 5.732802 -1.403383 ESP Fit Center **** is at 4.794924 6.100508 -1.403383 ESP Fit Center **** is at 4.520990 6.419603 -1.403383 ESP Fit Center **** is at 4.188430 6.677023 -1.403383 ESP Fit Center **** is at 3.810860 6.862230 -1.403383 ESP Fit Center **** is at 3.403736 6.967642 -1.403383 ESP Fit Center **** is at 2.983727 6.988942 -1.403383 ESP Fit Center **** is at 2.568028 6.925260 -1.403383 ESP Fit Center **** is at 2.173657 6.779201 -1.403383 ESP Fit Center **** is at 1.816761 6.556746 -1.403383 ESP Fit Center **** is at 1.511950 6.267001 -1.403383 ESP Fit Center **** is at 1.271704 5.921830 -1.403383 ESP Fit Center **** is at 4.731949 5.738269 -1.746073 ESP Fit Center **** is at 4.497377 6.094918 -1.746073 ESP Fit Center **** is at 4.186879 6.387858 -1.746073 ESP Fit Center **** is at 3.817194 6.601296 -1.746073 ESP Fit Center **** is at 3.408252 6.723725 -1.746073 ESP Fit Center **** is at 2.982100 6.748545 -1.746073 ESP Fit Center **** is at 2.561710 6.674419 -1.746073 ESP Fit Center **** is at 2.169746 6.505343 -1.746073 ESP Fit Center **** is at 1.827339 6.250430 -1.746073 ESP Fit Center **** is at 1.552949 5.923425 -1.746073 ESP Fit Center **** is at 1.361368 5.541955 -1.746073 ESP Fit Center **** is at 4.407104 5.714706 -2.041890 ESP Fit Center **** is at 4.141967 6.040603 -2.041890 ESP Fit Center **** is at 3.798737 6.282881 -2.041890 ESP Fit Center **** is at 3.402869 6.423573 -2.041890 ESP Fit Center **** is at 2.983722 6.452243 -2.041890 ESP Fit Center **** is at 2.572384 6.366766 -2.041890 ESP Fit Center **** is at 2.199360 6.173481 -2.041890 ESP Fit Center **** is at 1.892317 5.886722 -2.041890 ESP Fit Center **** is at 1.674026 5.527759 -2.041890 ESP Fit Center **** is at 4.216630 5.323573 -2.281844 ESP Fit Center **** is at 4.008252 5.684494 -2.281844 ESP Fit Center **** is at 3.688999 5.952380 -2.281844 ESP Fit Center **** is at 3.297377 6.094918 -2.281844 ESP Fit Center **** is at 2.880621 6.094918 -2.281844 ESP Fit Center **** is at 2.488999 5.952380 -2.281844 ESP Fit Center **** is at 2.169746 5.684494 -2.281844 ESP Fit Center **** is at 1.961368 5.323573 -2.281844 ESP Fit Center **** is at 1.888999 4.913149 -2.281844 ESP Fit Center **** is at 3.799875 5.323573 -2.458645 ESP Fit Center **** is at 3.499423 5.624025 -2.458645 ESP Fit Center **** is at 3.088999 5.733997 -2.458645 ESP Fit Center **** is at 2.678575 5.624025 -2.458645 ESP Fit Center **** is at 2.378124 5.323573 -2.458645 ESP Fit Center **** is at 2.268151 4.913149 -2.458645 ESP Fit Center **** is at 3.505755 4.913149 -2.566922 ESP Fit Center **** is at 3.297377 5.274070 -2.566922 ESP Fit Center **** is at 2.880621 5.274070 -2.566922 ESP Fit Center **** is at 2.672244 4.913149 -2.566922 ESP Fit Center **** is at 2.880621 4.552228 -2.566922 ESP Fit Center **** is at 3.297377 4.552228 -2.566922 ESP Fit Center **** is at 3.088999 4.913149 -2.603383 ESP Fit Center **** is at 3.402405 4.241320 3.793673 ESP Fit Center **** is at 3.819161 4.241320 3.757212 ESP Fit Center **** is at 3.610783 4.602241 3.757212 ESP Fit Center **** is at 3.194028 4.602241 3.757212 ESP Fit Center **** is at 2.985650 4.241320 3.757212 ESP Fit Center **** is at 3.194028 3.880399 3.757212 ESP Fit Center **** is at 3.610783 3.880399 3.757212 ESP Fit Center **** is at 4.223254 4.241320 3.648936 ESP Fit Center **** is at 4.113281 4.651744 3.648936 ESP Fit Center **** is at 3.812830 4.952195 3.648936 ESP Fit Center **** is at 3.402405 5.062168 3.648936 ESP Fit Center **** is at 2.991981 4.952195 3.648936 ESP Fit Center **** is at 2.691530 4.651744 3.648936 ESP Fit Center **** is at 2.581557 4.241320 3.648936 ESP Fit Center **** is at 2.691530 3.830895 3.648936 ESP Fit Center **** is at 2.991981 3.530444 3.648936 ESP Fit Center **** is at 3.402405 3.420471 3.648936 ESP Fit Center **** is at 3.812830 3.530444 3.648936 ESP Fit Center **** is at 4.113281 3.830895 3.648936 ESP Fit Center **** is at 4.602405 4.241320 3.472134 ESP Fit Center **** is at 4.530036 4.651744 3.472134 ESP Fit Center **** is at 4.321659 5.012665 3.472134 ESP Fit Center **** is at 4.002405 5.280550 3.472134 ESP Fit Center **** is at 3.610783 5.423089 3.472134 ESP Fit Center **** is at 3.194028 5.423089 3.472134 ESP Fit Center **** is at 2.802405 5.280550 3.472134 ESP Fit Center **** is at 2.483152 5.012665 3.472134 ESP Fit Center **** is at 2.274774 4.651744 3.472134 ESP Fit Center **** is at 2.202405 4.241320 3.472134 ESP Fit Center **** is at 2.274774 3.830895 3.472134 ESP Fit Center **** is at 2.483152 3.469975 3.472134 ESP Fit Center **** is at 2.802405 3.202089 3.472134 ESP Fit Center **** is at 3.194028 3.059550 3.472134 ESP Fit Center **** is at 3.610783 3.059550 3.472134 ESP Fit Center **** is at 4.002405 3.202089 3.472134 ESP Fit Center **** is at 4.321659 3.469975 3.472134 ESP Fit Center **** is at 4.530036 3.830895 3.472134 ESP Fit Center **** is at 4.945096 4.241320 3.232180 ESP Fit Center **** is at 4.887888 4.657532 3.232180 ESP Fit Center **** is at 4.720510 5.042877 3.232180 ESP Fit Center **** is at 4.455373 5.368773 3.232180 ESP Fit Center **** is at 4.112143 5.611052 3.232180 ESP Fit Center **** is at 3.716275 5.751743 3.232180 ESP Fit Center **** is at 3.297128 5.780414 3.232180 ESP Fit Center **** is at 2.885790 5.694936 3.232180 ESP Fit Center **** is at 2.512766 5.501651 3.232180 ESP Fit Center **** is at 2.885790 2.787703 3.232180 ESP Fit Center **** is at 3.297128 2.702226 3.232180 ESP Fit Center **** is at 3.716275 2.730896 3.232180 ESP Fit Center **** is at 4.112143 2.871588 3.232180 ESP Fit Center **** is at 4.455373 3.113866 3.232180 ESP Fit Center **** is at 4.720510 3.439763 3.232180 ESP Fit Center **** is at 4.887888 3.825107 3.232180 ESP Fit Center **** is at 5.240912 4.241320 2.936364 ESP Fit Center **** is at 5.191355 4.665308 2.936364 ESP Fit Center **** is at 5.045355 5.066440 2.936364 ESP Fit Center **** is at 4.810783 5.423089 2.936364 ESP Fit Center **** is at 4.500285 5.716028 2.936364 ESP Fit Center **** is at 4.130601 5.929466 2.936364 ESP Fit Center **** is at 3.721659 6.051895 2.936364 ESP Fit Center **** is at 3.295506 6.076716 2.936364 ESP Fit Center **** is at 2.875116 6.002590 2.936364 ESP Fit Center **** is at 3.295506 2.405923 2.936364 ESP Fit Center **** is at 3.721659 2.430744 2.936364 ESP Fit Center **** is at 4.130601 2.553173 2.936364 ESP Fit Center **** is at 4.500285 2.766611 2.936364 ESP Fit Center **** is at 4.810783 3.059550 2.936364 ESP Fit Center **** is at 5.045355 3.416199 2.936364 ESP Fit Center **** is at 5.191355 3.817331 2.936364 ESP Fit Center **** is at 5.480866 4.241320 2.593673 ESP Fit Center **** is at 5.438320 4.659711 2.593673 ESP Fit Center **** is at 5.312423 5.060973 2.593673 ESP Fit Center **** is at 5.108330 5.428678 2.593673 ESP Fit Center **** is at 4.834396 5.747773 2.593673 ESP Fit Center **** is at 4.501836 6.005194 2.593673 ESP Fit Center **** is at 4.124266 6.190401 2.593673 ESP Fit Center **** is at 3.717142 6.295812 2.593673 ESP Fit Center **** is at 3.297133 6.317113 2.593673 ESP Fit Center **** is at 4.501836 2.477446 2.593673 ESP Fit Center **** is at 4.834396 2.734866 2.593673 ESP Fit Center **** is at 5.108330 3.053961 2.593673 ESP Fit Center **** is at 5.312423 3.421666 2.593673 ESP Fit Center **** is at 5.438320 3.822929 2.593673 ESP Fit Center **** is at 5.657668 4.241320 2.214522 ESP Fit Center **** is at 5.616912 4.668131 2.214522 ESP Fit Center **** is at 5.496119 5.079516 2.214522 ESP Fit Center **** is at 5.299653 5.460606 2.214522 ESP Fit Center **** is at 5.034615 5.797629 2.214522 ESP Fit Center **** is at 4.710586 6.078402 2.214522 ESP Fit Center **** is at 4.339275 6.292778 2.214522 ESP Fit Center **** is at 3.934104 6.433010 2.214522 ESP Fit Center **** is at 5.496119 3.403123 2.214522 ESP Fit Center **** is at 5.616912 3.814508 2.214522 ESP Fit Center **** is at 5.765944 4.241320 1.810429 ESP Fit Center **** is at 5.727961 4.663346 1.810429 ESP Fit Center **** is at 5.615233 5.071808 1.810429 ESP Fit Center **** is at 5.431382 5.453577 1.810429 ESP Fit Center **** is at 5.182319 5.796383 1.810429 ESP Fit Center **** is at 4.876048 6.089209 1.810429 ESP Fit Center **** is at 4.522412 6.322641 1.810429 ESP Fit Center **** is at 4.132779 6.489178 1.810429 ESP Fit Center **** is at 5.727961 3.819294 1.810429 ESP Fit Center **** is at 5.802405 4.241320 1.393673 ESP Fit Center **** is at 5.765944 4.658075 1.393673 ESP Fit Center **** is at 5.657668 5.062168 1.393673 ESP Fit Center **** is at 5.480866 5.441320 1.393673 ESP Fit Center **** is at 5.240912 5.784010 1.393673 ESP Fit Center **** is at 4.945096 6.079826 1.393673 ESP Fit Center **** is at 5.727961 4.663346 0.976918 ESP Fit Center **** is at 5.615233 5.071808 0.976918 ESP Fit Center **** is at 1.343432 4.301688 3.129588 ESP Fit Center **** is at 1.349763 5.012563 3.021312 ESP Fit Center **** is at 1.049312 4.712112 3.021312 ESP Fit Center **** is at 0.939339 4.301688 3.021312 ESP Fit Center **** is at 1.049312 3.891264 3.021312 ESP Fit Center **** is at 1.160187 5.340918 2.844510 ESP Fit Center **** is at 0.840934 5.073033 2.844510 ESP Fit Center **** is at 0.632556 4.712112 2.844510 ESP Fit Center **** is at 0.560187 4.301688 2.844510 ESP Fit Center **** is at 0.632556 3.891264 2.844510 ESP Fit Center **** is at 0.840934 3.530343 2.844510 ESP Fit Center **** is at 1.243572 5.755305 2.604556 ESP Fit Center **** is at 0.870548 5.562019 2.604556 ESP Fit Center **** is at 0.563505 5.275261 2.604556 ESP Fit Center **** is at 0.345214 4.916297 2.604556 ESP Fit Center **** is at 0.231866 4.511751 2.604556 ESP Fit Center **** is at 0.231866 4.091625 2.604556 ESP Fit Center **** is at 0.345214 3.687078 2.604556 ESP Fit Center **** is at 0.563505 3.328115 2.604556 ESP Fit Center **** is at 1.232898 6.062958 2.308740 ESP Fit Center **** is at 0.840934 5.893881 2.308740 ESP Fit Center **** is at 0.498527 5.638969 2.308740 ESP Fit Center **** is at 0.224137 5.311964 2.308740 ESP Fit Center **** is at 0.032556 4.930494 2.308740 ESP Fit Center **** is at -0.065888 4.515126 2.308740 ESP Fit Center **** is at -0.065888 4.088250 2.308740 ESP Fit Center **** is at 0.032556 3.672882 2.308740 ESP Fit Center **** is at 1.239216 6.313798 1.966049 ESP Fit Center **** is at 0.844845 6.167740 1.966049 ESP Fit Center **** is at 0.487949 5.945284 1.966049 ESP Fit Center **** is at 0.183138 5.655540 1.966049 ESP Fit Center **** is at -0.057108 5.310369 1.966049 ESP Fit Center **** is at -0.222954 4.923903 1.966049 ESP Fit Center **** is at -0.307610 4.511962 1.966049 ESP Fit Center **** is at -0.307610 4.091414 1.966049 ESP Fit Center **** is at -0.222954 3.679473 1.966049 ESP Fit Center **** is at 1.022563 6.432913 1.586898 ESP Fit Center **** is at 0.632556 6.254802 1.586898 ESP Fit Center **** is at 0.283305 6.006101 1.586898 ESP Fit Center **** is at -0.012569 5.695799 1.586898 ESP Fit Center **** is at -0.244370 5.335109 1.586898 ESP Fit Center **** is at -0.403721 4.937069 1.586898 ESP Fit Center **** is at -0.484863 4.516064 1.586898 ESP Fit Center **** is at -0.484863 4.087312 1.586898 ESP Fit Center **** is at 0.831257 6.475027 1.182805 ESP Fit Center **** is at 0.458121 6.274234 1.182805 ESP Fit Center **** is at 0.126834 6.010042 1.182805 ESP Fit Center **** is at -0.151956 5.690941 1.182805 ESP Fit Center **** is at -0.369287 5.327189 1.182805 ESP Fit Center **** is at -0.518176 4.930476 1.182805 ESP Fit Center **** is at -0.593836 4.513554 1.182805 ESP Fit Center **** is at -0.593836 4.089822 1.182805 ESP Fit Center **** is at 0.939339 6.556950 0.766049 ESP Fit Center **** is at 0.560187 6.380149 0.766049 ESP Fit Center **** is at 0.217497 6.140195 0.766049 ESP Fit Center **** is at -0.078319 5.844378 0.766049 ESP Fit Center **** is at -0.318274 5.501688 0.766049 ESP Fit Center **** is at -0.495075 5.122536 0.766049 ESP Fit Center **** is at -0.603351 4.718444 0.766049 ESP Fit Center **** is at -0.639813 4.301688 0.766049 ESP Fit Center **** is at 0.831257 6.475027 0.349294 ESP Fit Center **** is at 0.458121 6.274234 0.349294 ESP Fit Center **** is at 0.126834 6.010042 0.349294 ESP Fit Center **** is at -0.151956 5.690941 0.349294 ESP Fit Center **** is at -0.369287 5.327189 0.349294 ESP Fit Center **** is at -0.518176 4.930476 0.349294 ESP Fit Center **** is at -0.593836 4.513554 0.349294 ESP Fit Center **** is at -0.593836 4.089822 0.349294 ESP Fit Center **** is at 0.632556 6.254802 -0.054799 ESP Fit Center **** is at 0.283305 6.006101 -0.054799 ESP Fit Center **** is at -0.012569 5.695799 -0.054799 ESP Fit Center **** is at -0.244370 5.335109 -0.054799 ESP Fit Center **** is at -0.403721 4.937069 -0.054799 ESP Fit Center **** is at -0.484863 4.516064 -0.054799 ESP Fit Center **** is at -0.484863 4.087312 -0.054799 ESP Fit Center **** is at 0.487949 5.945284 -0.433951 ESP Fit Center **** is at 0.183138 5.655540 -0.433951 ESP Fit Center **** is at -0.057108 5.310369 -0.433951 ESP Fit Center **** is at -0.222954 4.923903 -0.433951 ESP Fit Center **** is at -0.307610 4.511962 -0.433951 ESP Fit Center **** is at -0.307610 4.091414 -0.433951 ESP Fit Center **** is at 0.498527 5.638969 -0.776641 ESP Fit Center **** is at 0.224137 5.311964 -0.776641 ESP Fit Center **** is at 0.032556 4.930494 -0.776641 ESP Fit Center **** is at -0.065888 4.515126 -0.776641 ESP Fit Center **** is at -0.065888 4.088250 -0.776641 ESP Fit Center **** is at 0.345214 4.916297 -1.072457 ESP Fit Center **** is at 0.231866 4.511751 -1.072457 ESP Fit Center **** is at 0.231866 4.091625 -1.072457 ESP Fit Center **** is at 6.153686 4.537410 0.540446 ESP Fit Center **** is at 5.843189 4.830350 0.540446 ESP Fit Center **** is at 6.655327 4.175294 0.197756 ESP Fit Center **** is at 6.451233 4.543000 0.197756 ESP Fit Center **** is at 6.177299 4.862095 0.197756 ESP Fit Center **** is at 5.844740 5.119515 0.197756 ESP Fit Center **** is at 6.959815 3.782452 -0.181396 ESP Fit Center **** is at 6.839022 4.193837 -0.181396 ESP Fit Center **** is at 6.642556 4.574928 -0.181396 ESP Fit Center **** is at 6.377519 4.911950 -0.181396 ESP Fit Center **** is at 6.053489 5.192723 -0.181396 ESP Fit Center **** is at 5.682178 5.407100 -0.181396 ESP Fit Center **** is at 7.070864 3.777667 -0.585489 ESP Fit Center **** is at 6.958136 4.186129 -0.585489 ESP Fit Center **** is at 6.774285 4.567898 -0.585489 ESP Fit Center **** is at 6.525222 4.910705 -0.585489 ESP Fit Center **** is at 6.218951 5.203530 -0.585489 ESP Fit Center **** is at 5.865315 5.436963 -0.585489 ESP Fit Center **** is at 5.475682 5.603500 -0.585489 ESP Fit Center **** is at 7.145309 3.355641 -1.002244 ESP Fit Center **** is at 7.108847 3.772397 -1.002244 ESP Fit Center **** is at 7.000571 4.176489 -1.002244 ESP Fit Center **** is at 6.823770 4.555641 -1.002244 ESP Fit Center **** is at 6.583815 4.898331 -1.002244 ESP Fit Center **** is at 6.287999 5.194148 -1.002244 ESP Fit Center **** is at 5.945309 5.434102 -1.002244 ESP Fit Center **** is at 5.566157 5.610903 -1.002244 ESP Fit Center **** is at 7.108847 3.355641 -1.419000 ESP Fit Center **** is at 7.070864 3.777667 -1.419000 ESP Fit Center **** is at 6.958136 4.186129 -1.419000 ESP Fit Center **** is at 6.774285 4.567898 -1.419000 ESP Fit Center **** is at 6.525222 4.910705 -1.419000 ESP Fit Center **** is at 6.218951 5.203530 -1.419000 ESP Fit Center **** is at 5.865315 5.436963 -1.419000 ESP Fit Center **** is at 5.475682 5.603500 -1.419000 ESP Fit Center **** is at 5.062574 5.697789 -1.419000 ESP Fit Center **** is at 7.000571 3.355641 -1.823093 ESP Fit Center **** is at 6.959815 3.782452 -1.823093 ESP Fit Center **** is at 6.839022 4.193837 -1.823093 ESP Fit Center **** is at 6.642556 4.574928 -1.823093 ESP Fit Center **** is at 6.377519 4.911950 -1.823093 ESP Fit Center **** is at 6.053489 5.192723 -1.823093 ESP Fit Center **** is at 5.682178 5.407100 -1.823093 ESP Fit Center **** is at 5.277007 5.547331 -1.823093 ESP Fit Center **** is at 4.852618 5.608349 -1.823093 ESP Fit Center **** is at 6.823770 3.355641 -2.202244 ESP Fit Center **** is at 6.781223 3.774032 -2.202244 ESP Fit Center **** is at 6.655327 4.175294 -2.202244 ESP Fit Center **** is at 6.451233 4.543000 -2.202244 ESP Fit Center **** is at 6.177299 4.862095 -2.202244 ESP Fit Center **** is at 5.844740 5.119515 -2.202244 ESP Fit Center **** is at 5.467169 5.304722 -2.202244 ESP Fit Center **** is at 5.060045 5.410134 -2.202244 ESP Fit Center **** is at 4.640036 5.431434 -2.202244 ESP Fit Center **** is at 6.781223 2.937250 -2.202244 ESP Fit Center **** is at 6.583815 3.355641 -2.544935 ESP Fit Center **** is at 6.534258 3.779630 -2.544935 ESP Fit Center **** is at 6.388258 4.180761 -2.544935 ESP Fit Center **** is at 6.153686 4.537410 -2.544935 ESP Fit Center **** is at 5.843189 4.830350 -2.544935 ESP Fit Center **** is at 5.473504 5.043787 -2.544935 ESP Fit Center **** is at 5.064562 5.166217 -2.544935 ESP Fit Center **** is at 4.638409 5.191037 -2.544935 ESP Fit Center **** is at 4.218019 5.116911 -2.544935 ESP Fit Center **** is at 3.826055 4.947835 -2.544935 ESP Fit Center **** is at 6.534258 2.931652 -2.544935 ESP Fit Center **** is at 6.287999 3.355641 -2.840751 ESP Fit Center **** is at 6.230792 3.771854 -2.840751 ESP Fit Center **** is at 6.063413 4.157198 -2.840751 ESP Fit Center **** is at 5.798277 4.483095 -2.840751 ESP Fit Center **** is at 5.455046 4.725373 -2.840751 ESP Fit Center **** is at 5.059178 4.866065 -2.840751 ESP Fit Center **** is at 4.640032 4.894735 -2.840751 ESP Fit Center **** is at 4.228693 4.809258 -2.840751 ESP Fit Center **** is at 3.855669 4.615973 -2.840751 ESP Fit Center **** is at 3.548626 4.329214 -2.840751 ESP Fit Center **** is at 6.230792 2.939428 -2.840751 ESP Fit Center **** is at 5.945309 3.355641 -3.080705 ESP Fit Center **** is at 5.872940 3.766065 -3.080705 ESP Fit Center **** is at 5.664562 4.126986 -3.080705 ESP Fit Center **** is at 5.345309 4.394872 -3.080705 ESP Fit Center **** is at 4.953686 4.537410 -3.080705 ESP Fit Center **** is at 4.536931 4.537410 -3.080705 ESP Fit Center **** is at 4.145309 4.394872 -3.080705 ESP Fit Center **** is at 3.826055 4.126986 -3.080705 ESP Fit Center **** is at 5.872940 2.945217 -3.080705 ESP Fit Center **** is at 5.566157 3.355641 -3.257507 ESP Fit Center **** is at 5.456184 3.766065 -3.257507 ESP Fit Center **** is at 5.155733 4.066517 -3.257507 ESP Fit Center **** is at 4.745309 4.176489 -3.257507 ESP Fit Center **** is at 4.334884 4.066517 -3.257507 ESP Fit Center **** is at 5.162064 3.355641 -3.365783 ESP Fit Center **** is at 4.953686 3.716562 -3.365783 ESP Fit Center **** is at 4.536931 3.716562 -3.365783 ESP Fit Center **** is at 5.971344 0.162704 -1.758985 ESP Fit Center **** is at 6.220407 0.505511 -1.758985 ESP Fit Center **** is at 5.823641 0.161459 -2.163077 ESP Fit Center **** is at 6.088678 0.498481 -2.163077 ESP Fit Center **** is at 6.285144 0.879572 -2.163077 ESP Fit Center **** is at 5.623421 0.211314 -2.542229 ESP Fit Center **** is at 5.897355 0.530409 -2.542229 ESP Fit Center **** is at 6.101448 0.898115 -2.542229 ESP Fit Center **** is at 6.227345 1.299377 -2.542229 ESP Fit Center **** is at 5.289311 0.243059 -2.884919 ESP Fit Center **** is at 5.599808 0.535999 -2.884919 ESP Fit Center **** is at 5.834380 0.892648 -2.884919 ESP Fit Center **** is at 5.980380 1.293779 -2.884919 ESP Fit Center **** is at 5.734121 1.717768 -3.180736 ESP Fit Center **** is at 2.776458 2.332377 -3.180736 ESP Fit Center **** is at 2.663109 1.927831 -3.180736 ESP Fit Center **** is at 2.663109 1.507705 -3.180736 ESP Fit Center **** is at 2.776458 1.103159 -3.180736 ESP Fit Center **** is at 2.994748 0.744195 -3.180736 ESP Fit Center **** is at 3.301791 0.457437 -3.180736 ESP Fit Center **** is at 3.674815 0.264151 -3.180736 ESP Fit Center **** is at 4.086154 0.178674 -3.180736 ESP Fit Center **** is at 4.505300 0.207345 -3.180736 ESP Fit Center **** is at 4.901168 0.348036 -3.180736 ESP Fit Center **** is at 5.244399 0.590314 -3.180736 ESP Fit Center **** is at 5.509535 0.916211 -3.180736 ESP Fit Center **** is at 5.676914 1.301555 -3.180736 ESP Fit Center **** is at 5.391431 1.717768 -3.420690 ESP Fit Center **** is at 5.319062 2.128192 -3.420690 ESP Fit Center **** is at 3.272177 2.489113 -3.420690 ESP Fit Center **** is at 3.063799 2.128192 -3.420690 ESP Fit Center **** is at 2.991431 1.717768 -3.420690 ESP Fit Center **** is at 3.063799 1.307344 -3.420690 ESP Fit Center **** is at 3.272177 0.946423 -3.420690 ESP Fit Center **** is at 3.591431 0.678538 -3.420690 ESP Fit Center **** is at 3.983053 0.535999 -3.420690 ESP Fit Center **** is at 4.399808 0.535999 -3.420690 ESP Fit Center **** is at 4.791431 0.678538 -3.420690 ESP Fit Center **** is at 5.110684 0.946423 -3.420690 ESP Fit Center **** is at 5.319062 1.307344 -3.420690 ESP Fit Center **** is at 5.012279 1.717768 -3.597491 ESP Fit Center **** is at 4.902306 2.128192 -3.597491 ESP Fit Center **** is at 4.601855 2.428644 -3.597491 ESP Fit Center **** is at 4.191431 2.538616 -3.597491 ESP Fit Center **** is at 3.781006 2.428644 -3.597491 ESP Fit Center **** is at 3.480555 2.128192 -3.597491 ESP Fit Center **** is at 3.370582 1.717768 -3.597491 ESP Fit Center **** is at 3.480555 1.307344 -3.597491 ESP Fit Center **** is at 3.781006 1.006892 -3.597491 ESP Fit Center **** is at 4.191431 0.896920 -3.597491 ESP Fit Center **** is at 4.601855 1.006892 -3.597491 ESP Fit Center **** is at 4.902306 1.307344 -3.597491 ESP Fit Center **** is at 4.608186 1.717768 -3.705768 ESP Fit Center **** is at 4.399808 2.078689 -3.705768 ESP Fit Center **** is at 3.983053 2.078689 -3.705768 ESP Fit Center **** is at 3.774675 1.717768 -3.705768 ESP Fit Center **** is at 3.983053 1.356847 -3.705768 ESP Fit Center **** is at 4.399808 1.356847 -3.705768 ESP Fit Center **** is at 4.191431 1.717768 -3.742229 ESP Fit Center **** is at 4.895885 2.095835 2.624313 ESP Fit Center **** is at 5.312641 2.095835 2.587852 ESP Fit Center **** is at 5.104263 2.456756 2.587852 ESP Fit Center **** is at 4.687507 2.456756 2.587852 ESP Fit Center **** is at 4.479129 2.095835 2.587852 ESP Fit Center **** is at 4.687507 1.734915 2.587852 ESP Fit Center **** is at 5.104263 1.734915 2.587852 ESP Fit Center **** is at 5.716733 2.095835 2.479575 ESP Fit Center **** is at 5.606761 2.506260 2.479575 ESP Fit Center **** is at 5.306309 2.806711 2.479575 ESP Fit Center **** is at 4.185010 1.685411 2.479575 ESP Fit Center **** is at 4.485461 1.384960 2.479575 ESP Fit Center **** is at 4.895885 1.274987 2.479575 ESP Fit Center **** is at 5.306309 1.384960 2.479575 ESP Fit Center **** is at 5.606761 1.685411 2.479575 ESP Fit Center **** is at 6.095885 2.095835 2.302774 ESP Fit Center **** is at 6.023516 2.506260 2.302774 ESP Fit Center **** is at 5.815138 2.867181 2.302774 ESP Fit Center **** is at 5.495885 3.135066 2.302774 ESP Fit Center **** is at 3.976632 1.324490 2.302774 ESP Fit Center **** is at 4.295885 1.056605 2.302774 ESP Fit Center **** is at 4.687507 0.914066 2.302774 ESP Fit Center **** is at 5.104263 0.914066 2.302774 ESP Fit Center **** is at 5.495885 1.056605 2.302774 ESP Fit Center **** is at 5.815138 1.324490 2.302774 ESP Fit Center **** is at 6.023516 1.685411 2.302774 ESP Fit Center **** is at 6.438575 2.095835 2.062820 ESP Fit Center **** is at 6.381368 2.512048 2.062820 ESP Fit Center **** is at 6.213990 2.897393 2.062820 ESP Fit Center **** is at 5.948853 3.223289 2.062820 ESP Fit Center **** is at 5.605623 3.465567 2.062820 ESP Fit Center **** is at 4.379270 0.642219 2.062820 ESP Fit Center **** is at 4.790608 0.556742 2.062820 ESP Fit Center **** is at 5.209755 0.585412 2.062820 ESP Fit Center **** is at 5.605623 0.726104 2.062820 ESP Fit Center **** is at 5.948853 0.968382 2.062820 ESP Fit Center **** is at 6.213990 1.294278 2.062820 ESP Fit Center **** is at 6.381368 1.679623 2.062820 ESP Fit Center **** is at 6.734392 2.095835 1.767003 ESP Fit Center **** is at 6.684835 2.519824 1.767003 ESP Fit Center **** is at 6.538835 2.920956 1.767003 ESP Fit Center **** is at 6.304263 3.277605 1.767003 ESP Fit Center **** is at 5.993765 3.570544 1.767003 ESP Fit Center **** is at 5.215138 0.285260 1.767003 ESP Fit Center **** is at 5.624080 0.407689 1.767003 ESP Fit Center **** is at 5.993765 0.621127 1.767003 ESP Fit Center **** is at 6.304263 0.914066 1.767003 ESP Fit Center **** is at 6.538835 1.270715 1.767003 ESP Fit Center **** is at 6.684835 1.671847 1.767003 ESP Fit Center **** is at 6.974346 2.095835 1.424313 ESP Fit Center **** is at 6.931800 2.514227 1.424313 ESP Fit Center **** is at 6.805903 2.915489 1.424313 ESP Fit Center **** is at 6.601810 3.283194 1.424313 ESP Fit Center **** is at 6.327876 3.602289 1.424313 ESP Fit Center **** is at 5.210622 0.041343 1.424313 ESP Fit Center **** is at 5.617746 0.146754 1.424313 ESP Fit Center **** is at 5.995316 0.331961 1.424313 ESP Fit Center **** is at 6.327876 0.589382 1.424313 ESP Fit Center **** is at 6.601810 0.908477 1.424313 ESP Fit Center **** is at 6.805903 1.276182 1.424313 ESP Fit Center **** is at 6.931800 1.677444 1.424313 ESP Fit Center **** is at 7.151147 2.095835 1.045161 ESP Fit Center **** is at 7.110392 2.522647 1.045161 ESP Fit Center **** is at 6.989598 2.934032 1.045161 ESP Fit Center **** is at 6.793132 3.315122 1.045161 ESP Fit Center **** is at 6.528095 3.652145 1.045161 ESP Fit Center **** is at 5.427583 -0.095855 1.045161 ESP Fit Center **** is at 5.832755 0.044377 1.045161 ESP Fit Center **** is at 6.204066 0.258753 1.045161 ESP Fit Center **** is at 6.528095 0.539526 1.045161 ESP Fit Center **** is at 6.793132 0.876549 1.045161 ESP Fit Center **** is at 6.989598 1.257639 1.045161 ESP Fit Center **** is at 7.110392 1.669024 1.045161 ESP Fit Center **** is at 7.259424 2.095835 0.641069 ESP Fit Center **** is at 7.221441 2.517862 0.641069 ESP Fit Center **** is at 7.108712 2.926323 0.641069 ESP Fit Center **** is at 6.924862 3.308093 0.641069 ESP Fit Center **** is at 5.626259 -0.152023 0.641069 ESP Fit Center **** is at 6.015892 0.014514 0.641069 ESP Fit Center **** is at 6.369527 0.247947 0.641069 ESP Fit Center **** is at 6.675799 0.540772 0.641069 ESP Fit Center **** is at 6.924862 0.883578 0.641069 ESP Fit Center **** is at 7.108712 1.265347 0.641069 ESP Fit Center **** is at 7.221441 1.673809 0.641069 ESP Fit Center **** is at 7.295885 2.095835 0.224313 ESP Fit Center **** is at 7.259424 2.512591 0.224313 ESP Fit Center **** is at 7.151147 2.916684 0.224313 ESP Fit Center **** is at 5.716733 -0.159427 0.224313 ESP Fit Center **** is at 6.095885 0.017374 0.224313 ESP Fit Center **** is at 6.438575 0.257329 0.224313 ESP Fit Center **** is at 6.734392 0.553145 0.224313 ESP Fit Center **** is at 6.974346 0.895835 0.224313 ESP Fit Center **** is at 7.151147 1.274987 0.224313 ESP Fit Center **** is at 7.259424 1.679080 0.224313 ESP Fit Center **** is at 7.259424 2.095835 -0.192443 ESP Fit Center **** is at 6.015892 0.014514 -0.192443 ESP Fit Center **** is at 6.369527 0.247947 -0.192443 ESP Fit Center **** is at 6.675799 0.540772 -0.192443 ESP Fit Center **** is at 6.924862 0.883578 -0.192443 ESP Fit Center **** is at 7.108712 1.265347 -0.192443 ESP Fit Center **** is at 7.221441 1.673809 -0.192443 Entering OneElI... OneElI was handed 2147248037 working-precision words. Calculate electrostatic properties NBasis = 370 MinDer = 0 MaxDer = 0 NGrid = 10745 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 20.81 Shift= 11.561645 8.508621 3.657489 Box 1 Number 0 centers from 1 to 128: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.25D+01 NSMCal= 8256 NSMKep= 3030 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs PRISM was handed 178677158 working-precision words and 3030 shell-pairs IPart= 10 NShTot= 2535820 NBatch= 2402 AvBLen= 1055.7 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 2664760 NBatch= 2585 AvBLen= 1030.9 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 2 NShTot= 2825935 NBatch= 2756 AvBLen= 1025.4 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 6 NShTot= 2686250 NBatch= 2611 AvBLen= 1028.8 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 9 NShTot= 2632525 NBatch= 2557 AvBLen= 1029.5 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 4 NShTot= 2782955 NBatch= 2721 AvBLen= 1022.8 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 2664760 NBatch= 2585 AvBLen= 1030.9 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 3 NShTot= 2782955 NBatch= 2721 AvBLen= 1022.8 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 5 NShTot= 2739975 NBatch= 2669 AvBLen= 1026.6 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 1 NShTot= 2847425 NBatch= 2775 AvBLen= 1026.1 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 11 NShTot= 2503585 NBatch= 2372 AvBLen= 1055.5 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 0 NShTot= 2890405 NBatch= 2844 AvBLen= 1016.3 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10703 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00158 RRMS= 0.07173: ESP charges: 1 1 C 0.602469 2 C -0.507429 3 O -0.717368 4 N -0.608053 5 C 0.807089 6 C -0.161908 7 N -0.697659 8 C 0.763394 9 N -0.331856 10 C 0.546051 11 N -0.793326 12 C 0.660966 13 N -0.840368 14 H 0.013632 15 H 0.111947 16 H 0.123426 17 N -0.628477 18 H 0.141676 19 H 0.430336 20 C 0.392688 21 H 0.035928 22 C 0.346338 23 H 0.080012 24 N -0.079235 25 C -0.163880 26 C -0.352360 27 H 0.086777 28 H 0.093631 29 H 0.091725 30 H 0.126929 31 H 0.133062 32 H 0.133347 33 N -0.102090 34 H 0.085006 35 C -0.287359 36 C -0.247069 37 H 0.117164 38 H 0.130219 39 H 0.112567 40 H 0.116924 41 H 0.116860 42 H 0.118274 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.616101 2 C -0.130381 3 O -0.287031 4 N -0.608053 5 C 0.807089 6 C -0.161908 7 N -0.697659 8 C 0.763394 9 N -0.331856 10 C 0.546051 11 N -0.793326 12 C 0.696894 13 N -0.840368 17 N -0.628477 20 C 0.477694 22 C 0.426349 24 N -0.079235 25 C 0.108254 26 C 0.040977 33 N -0.102090 35 C 0.072592 36 C 0.104989 Charge= -0.00000 Dipole= 4.7239 7.3217 0.7961 Tot= 8.7496 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.629479 2 Atom -14.744607 3 Atom -22.312318 4 Atom -18.390280 5 Atom -14.661617 6 Atom -14.729835 7 Atom -18.380198 8 Atom -14.628115 9 Atom -18.298838 10 Atom -14.671959 11 Atom -18.373857 12 Atom -14.681717 13 Atom -18.389316 14 Atom -1.122059 15 Atom -1.116473 16 Atom -1.120018 17 Atom -18.368207 18 Atom -1.126468 19 Atom -0.990429 20 Atom -14.631457 21 Atom -1.130122 22 Atom -14.650636 23 Atom -1.089202 24 Atom -18.307737 25 Atom -14.707034 26 Atom -14.686131 27 Atom -1.116575 28 Atom -1.121775 29 Atom -1.123199 30 Atom -1.105015 31 Atom -1.107787 32 Atom -1.093746 33 Atom -18.288216 34 Atom -1.071398 35 Atom -14.672488 36 Atom -14.688313 37 Atom -1.091275 38 Atom -1.093943 39 Atom -1.080391 40 Atom -1.097339 41 Atom -1.103651 42 Atom -1.106444 43 Fit -0.028124 44 Fit 0.040956 45 Fit -0.005394 46 Fit -0.002614 47 Fit 0.009587 48 Fit 0.001478 49 Fit 0.002759 50 Fit 0.014150 51 Fit 0.007827 52 Fit 0.008309 53 Fit 0.003911 54 Fit 0.003328 55 Fit 0.003508 56 Fit 0.003957 57 Fit 0.002975 58 Fit 0.002218 59 Fit 0.002842 60 Fit 0.002093 61 Fit -0.015453 62 Fit -0.011678 63 Fit 0.001615 64 Fit 0.001140 65 Fit -0.011269 66 Fit 0.002231 67 Fit 0.002477 68 Fit 0.002223 69 Fit 0.000826 70 Fit 0.000144 71 Fit -0.000632 72 Fit 0.001405 73 Fit -0.000380 74 Fit -0.030375 75 Fit -0.019080 76 Fit -0.030010 77 Fit -0.038831 78 Fit -0.039596 79 Fit -0.031103 80 Fit -0.019331 81 Fit -0.006248 82 Fit -0.018287 83 Fit -0.030378 84 Fit -0.039411 85 Fit -0.044815 86 Fit -0.047089 87 Fit -0.046233 88 Fit -0.041347 89 Fit -0.031674 90 Fit -0.018273 91 Fit -0.007592 92 Fit -0.021863 93 Fit -0.033327 94 Fit -0.041403 95 Fit -0.046362 96 Fit -0.049096 97 Fit -0.050438 98 Fit -0.050481 99 Fit -0.048603 100 Fit -0.043830 101 Fit -0.035257 102 Fit -0.022676 103 Fit -0.013568 104 Fit -0.026774 105 Fit -0.036765 106 Fit -0.043563 107 Fit -0.047455 108 Fit -0.049219 109 Fit -0.049974 110 Fit -0.050479 111 Fit -0.050685 112 Fit -0.050085 113 Fit -0.048109 114 Fit -0.043958 115 Fit -0.036728 116 Fit -0.025983 117 Fit -0.011774 118 Fit -0.008864 119 Fit -0.023706 120 Fit -0.035077 121 Fit -0.043136 122 Fit -0.047856 123 Fit -0.049416 124 Fit -0.048774 125 Fit -0.047639 126 Fit -0.047267 127 Fit -0.047445 128 Fit -0.047213 129 Fit -0.046168 130 Fit -0.044197 131 Fit -0.040298 132 Fit -0.033207 133 Fit -0.022590 134 Fit -0.008578 135 Fit -0.005485 136 Fit -0.021134 137 Fit -0.033448 138 Fit -0.042814 139 Fit -0.049136 140 Fit 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