Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1232067.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1232069. Copyright (c) 1988-2021, 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 C.02, 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, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.02 7-Dec-2021 6-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 6.958 -5.037 2.04 C 7.355 -4.85 3.5 O 6.632 -6.405 1.86 O 2.687 -1.916 0.47 C 3.606 -2.659 0.83 N 4.912 -2.218 0.82 C 6.031 -2.941 1.2 O 7.148 -2.461 1.15 N 5.785 -4.219 1.62 C 4.517 -4.743 1.67 C 3.456 -4.018 1.3 H 7.809 -4.789 1.406 H 7.613 -3.806 3.676 H 8.215 -5.48 3.727 H 5.078 -1.216 0.485 H 4.373 -5.766 2.017 C 2.012 -4.553 1.331 H 6.521 -5.131 4.143 H 7.467 -6.998 2.092 C 1.754 -6.07 1.365 C 0.31 -6.605 1.396 C -0.876 -5.622 1.392 C -0.617 -4.104 1.358 C 0.827 -3.57 1.328 H 2.027 -4.531 2.42 H 2.225 -6.49 0.476 H 2.25 -6.454 2.256 H 0.192 -7.243 0.52 H 0.217 -7.207 2.299 H -1.478 -5.858 0.515 H -1.453 -5.823 2.295 H -1.114 -3.72 0.467 H -1.089 -3.685 2.247 H 0.92 -2.967 0.424 H 0.945 -2.932 2.204 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5245 estimate D2E/DX2 ! ! R2 R(1,3) 1.4178 estimate D2E/DX2 ! ! R3 R(1,9) 1.4905 estimate D2E/DX2 ! ! R4 R(1,12) 1.0898 estimate D2E/DX2 ! ! R5 R(2,13) 1.0897 estimate D2E/DX2 ! ! R6 R(2,14) 1.09 estimate D2E/DX2 ! ! R7 R(2,18) 1.0899 estimate D2E/DX2 ! ! R8 R(3,19) 1.0501 estimate D2E/DX2 ! ! R9 R(4,5) 1.2354 estimate D2E/DX2 ! ! R10 R(5,6) 1.3785 estimate D2E/DX2 ! ! R11 R(5,11) 1.4458 estimate D2E/DX2 ! ! R12 R(6,7) 1.3854 estimate D2E/DX2 ! ! R13 R(6,15) 1.0695 estimate D2E/DX2 ! ! R14 R(7,8) 1.2168 estimate D2E/DX2 ! ! R15 R(7,9) 1.3676 estimate D2E/DX2 ! ! R16 R(9,10) 1.3729 estimate D2E/DX2 ! ! R17 R(10,11) 1.3373 estimate D2E/DX2 ! ! R18 R(10,16) 1.0898 estimate D2E/DX2 ! ! R19 R(11,17) 1.5402 estimate D2E/DX2 ! ! R20 R(17,20) 1.5392 estimate D2E/DX2 ! ! R21 R(17,24) 1.5397 estimate D2E/DX2 ! ! R22 R(17,25) 1.0893 estimate D2E/DX2 ! ! R23 R(20,21) 1.5402 estimate D2E/DX2 ! ! R24 R(20,26) 1.0902 estimate D2E/DX2 ! ! R25 R(20,27) 1.0897 estimate D2E/DX2 ! ! R26 R(21,22) 1.5404 estimate D2E/DX2 ! ! R27 R(21,28) 1.0901 estimate D2E/DX2 ! ! R28 R(21,29) 1.0892 estimate D2E/DX2 ! ! R29 R(22,23) 1.5403 estimate D2E/DX2 ! ! R30 R(22,30) 1.0896 estimate D2E/DX2 ! ! R31 R(22,31) 1.0903 estimate D2E/DX2 ! ! R32 R(23,24) 1.5399 estimate D2E/DX2 ! ! R33 R(23,32) 1.0901 estimate D2E/DX2 ! ! R34 R(23,33) 1.0903 estimate D2E/DX2 ! ! R35 R(24,34) 1.0906 estimate D2E/DX2 ! ! R36 R(24,35) 1.0901 estimate D2E/DX2 ! ! A1 A(2,1,3) 107.4466 estimate D2E/DX2 ! ! A2 A(2,1,9) 114.0473 estimate D2E/DX2 ! ! A3 A(2,1,12) 109.0186 estimate D2E/DX2 ! ! A4 A(3,1,9) 108.2291 estimate D2E/DX2 ! ! A5 A(3,1,12) 108.9818 estimate D2E/DX2 ! ! A6 A(9,1,12) 109.0097 estimate D2E/DX2 ! ! A7 A(1,2,13) 109.5023 estimate D2E/DX2 ! ! A8 A(1,2,14) 109.5128 estimate D2E/DX2 ! ! A9 A(1,2,18) 109.5171 estimate D2E/DX2 ! ! A10 A(13,2,14) 109.4697 estimate D2E/DX2 ! ! A11 A(13,2,18) 109.4436 estimate D2E/DX2 ! ! A12 A(14,2,18) 109.3817 estimate D2E/DX2 ! ! A13 A(1,3,19) 109.5115 estimate D2E/DX2 ! ! A14 A(4,5,6) 120.6808 estimate D2E/DX2 ! ! A15 A(4,5,11) 125.6532 estimate D2E/DX2 ! ! A16 A(6,5,11) 113.6637 estimate D2E/DX2 ! ! A17 A(5,6,7) 126.6053 estimate D2E/DX2 ! ! A18 A(5,6,15) 116.6833 estimate D2E/DX2 ! ! A19 A(7,6,15) 116.7114 estimate D2E/DX2 ! ! A20 A(6,7,8) 121.6234 estimate D2E/DX2 ! ! A21 A(6,7,9) 115.255 estimate D2E/DX2 ! ! A22 A(8,7,9) 123.1202 estimate D2E/DX2 ! ! A23 A(1,9,7) 117.2492 estimate D2E/DX2 ! ! A24 A(1,9,10) 120.4731 estimate D2E/DX2 ! ! A25 A(7,9,10) 122.276 estimate D2E/DX2 ! ! A26 A(9,10,11) 121.0499 estimate D2E/DX2 ! ! A27 A(9,10,16) 119.4659 estimate D2E/DX2 ! ! A28 A(11,10,16) 119.4842 estimate D2E/DX2 ! ! A29 A(5,11,10) 121.1475 estimate D2E/DX2 ! ! A30 A(5,11,17) 115.4873 estimate D2E/DX2 ! ! A31 A(10,11,17) 123.3641 estimate D2E/DX2 ! ! A32 A(11,17,20) 119.9963 estimate D2E/DX2 ! ! A33 A(11,17,24) 119.9841 estimate D2E/DX2 ! ! A34 A(11,17,25) 90.0112 estimate D2E/DX2 ! ! A35 A(20,17,24) 120.0195 estimate D2E/DX2 ! ! A36 A(20,17,25) 90.0074 estimate D2E/DX2 ! ! A37 A(24,17,25) 89.98 estimate D2E/DX2 ! ! A38 A(17,20,21) 119.9963 estimate D2E/DX2 ! ! A39 A(17,20,26) 106.8142 estimate D2E/DX2 ! ! A40 A(17,20,27) 106.8037 estimate D2E/DX2 ! ! A41 A(21,20,26) 106.7161 estimate D2E/DX2 ! ! A42 A(21,20,27) 106.7313 estimate D2E/DX2 ! ! A43 A(26,20,27) 109.5335 estimate D2E/DX2 ! ! A44 A(20,21,22) 120.007 estimate D2E/DX2 ! ! A45 A(20,21,28) 106.7741 estimate D2E/DX2 ! ! A46 A(20,21,29) 106.7803 estimate D2E/DX2 ! ! A47 A(22,21,28) 106.7412 estimate D2E/DX2 ! ! A48 A(22,21,29) 106.804 estimate D2E/DX2 ! ! A49 A(28,21,29) 109.4803 estimate D2E/DX2 ! ! A50 A(21,22,23) 119.9663 estimate D2E/DX2 ! ! A51 A(21,22,30) 106.8131 estimate D2E/DX2 ! ! A52 A(21,22,31) 106.7179 estimate D2E/DX2 ! ! A53 A(23,22,30) 106.7736 estimate D2E/DX2 ! ! A54 A(23,22,31) 106.7952 estimate D2E/DX2 ! ! A55 A(30,22,31) 109.5299 estimate D2E/DX2 ! ! A56 A(22,23,24) 119.9913 estimate D2E/DX2 ! ! A57 A(22,23,32) 106.7703 estimate D2E/DX2 ! ! A58 A(22,23,33) 106.7353 estimate D2E/DX2 ! ! A59 A(24,23,32) 106.8251 estimate D2E/DX2 ! ! A60 A(24,23,33) 106.7732 estimate D2E/DX2 ! ! A61 A(32,23,33) 109.4942 estimate D2E/DX2 ! ! A62 A(17,24,23) 120.0195 estimate D2E/DX2 ! ! A63 A(17,24,34) 106.797 estimate D2E/DX2 ! ! A64 A(17,24,35) 106.7853 estimate D2E/DX2 ! ! A65 A(23,24,34) 106.729 estimate D2E/DX2 ! ! A66 A(23,24,35) 106.7867 estimate D2E/DX2 ! ! A67 A(34,24,35) 109.4668 estimate D2E/DX2 ! ! D1 D(3,1,2,13) -179.9854 estimate D2E/DX2 ! ! D2 D(3,1,2,14) 59.9719 estimate D2E/DX2 ! ! D3 D(3,1,2,18) -59.972 estimate D2E/DX2 ! ! D4 D(9,1,2,13) -60.0316 estimate D2E/DX2 ! ! D5 D(9,1,2,14) 179.9257 estimate D2E/DX2 ! ! D6 D(9,1,2,18) 59.9818 estimate D2E/DX2 ! ! D7 D(12,1,2,13) 62.0473 estimate D2E/DX2 ! ! D8 D(12,1,2,14) -57.9953 estimate D2E/DX2 ! ! D9 D(12,1,2,18) -177.9393 estimate D2E/DX2 ! ! D10 D(2,1,3,19) -60.0064 estimate D2E/DX2 ! ! D11 D(9,1,3,19) 176.4057 estimate D2E/DX2 ! ! D12 D(12,1,3,19) 57.9847 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 86.1914 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -93.3356 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -154.2957 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 26.1773 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -35.8924 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 144.5806 estimate D2E/DX2 ! ! D19 D(4,5,6,7) 179.7596 estimate D2E/DX2 ! ! D20 D(4,5,6,15) -0.2313 estimate D2E/DX2 ! ! D21 D(11,5,6,7) 0.2858 estimate D2E/DX2 ! ! D22 D(11,5,6,15) -179.7051 estimate D2E/DX2 ! ! D23 D(4,5,11,10) -179.9149 estimate D2E/DX2 ! ! D24 D(4,5,11,17) 0.4429 estimate D2E/DX2 ! ! D25 D(6,5,11,10) -0.4719 estimate D2E/DX2 ! ! D26 D(6,5,11,17) 179.8859 estimate D2E/DX2 ! ! D27 D(5,6,7,8) 179.7327 estimate D2E/DX2 ! ! D28 D(5,6,7,9) 0.1589 estimate D2E/DX2 ! ! D29 D(15,6,7,8) -0.2764 estimate D2E/DX2 ! ! D30 D(15,6,7,9) -179.8501 estimate D2E/DX2 ! ! D31 D(6,7,9,1) -179.9757 estimate D2E/DX2 ! ! D32 D(6,7,9,10) -0.4579 estimate D2E/DX2 ! ! D33 D(8,7,9,1) 0.4576 estimate D2E/DX2 ! ! D34 D(8,7,9,10) 179.9755 estimate D2E/DX2 ! ! D35 D(1,9,10,11) 179.7861 estimate D2E/DX2 ! ! D36 D(1,9,10,16) -0.1988 estimate D2E/DX2 ! ! D37 D(7,9,10,11) 0.2834 estimate D2E/DX2 ! ! D38 D(7,9,10,16) -179.7014 estimate D2E/DX2 ! ! D39 D(9,10,11,5) 0.2159 estimate D2E/DX2 ! ! D40 D(9,10,11,17) 179.8292 estimate D2E/DX2 ! ! D41 D(16,10,11,5) -179.7992 estimate D2E/DX2 ! ! D42 D(16,10,11,17) -0.1859 estimate D2E/DX2 ! ! D43 D(5,11,17,20) 160.2714 estimate D2E/DX2 ! ! D44 D(5,11,17,24) -19.7301 estimate D2E/DX2 ! ! D45 D(5,11,17,25) -109.7135 estimate D2E/DX2 ! ! D46 D(10,11,17,20) -19.3619 estimate D2E/DX2 ! ! D47 D(10,11,17,24) 160.6366 estimate D2E/DX2 ! ! D48 D(10,11,17,25) 70.6531 estimate D2E/DX2 ! ! D49 D(11,17,20,21) 180.0 estimate D2E/DX2 ! ! D50 D(11,17,20,26) -58.5745 estimate D2E/DX2 ! ! D51 D(11,17,20,27) 58.563 estimate D2E/DX2 ! ! D52 D(24,17,20,21) 0.0015 estimate D2E/DX2 ! ! D53 D(24,17,20,26) 121.427 estimate D2E/DX2 ! ! D54 D(24,17,20,27) -121.4355 estimate D2E/DX2 ! ! D55 D(25,17,20,21) 89.9827 estimate D2E/DX2 ! ! D56 D(25,17,20,26) -148.5918 estimate D2E/DX2 ! ! D57 D(25,17,20,27) -31.4543 estimate D2E/DX2 ! ! D58 D(11,17,24,23) 179.9579 estimate D2E/DX2 ! ! D59 D(11,17,24,34) 58.5134 estimate D2E/DX2 ! ! D60 D(11,17,24,35) -58.5295 estimate D2E/DX2 ! ! D61 D(20,17,24,23) -0.0436 estimate D2E/DX2 ! ! D62 D(20,17,24,34) -121.4881 estimate D2E/DX2 ! ! D63 D(20,17,24,35) 121.469 estimate D2E/DX2 ! ! D64 D(25,17,24,23) -90.0406 estimate D2E/DX2 ! ! D65 D(25,17,24,34) 148.5148 estimate D2E/DX2 ! ! D66 D(25,17,24,35) 31.472 estimate D2E/DX2 ! ! D67 D(17,20,21,22) 0.0421 estimate D2E/DX2 ! ! D68 D(17,20,21,28) 121.4745 estimate D2E/DX2 ! ! D69 D(17,20,21,29) -121.4807 estimate D2E/DX2 ! ! D70 D(26,20,21,22) -121.4317 estimate D2E/DX2 ! ! D71 D(26,20,21,28) 0.0007 estimate D2E/DX2 ! ! D72 D(26,20,21,29) 117.0454 estimate D2E/DX2 ! ! D73 D(27,20,21,22) 121.5147 estimate D2E/DX2 ! ! D74 D(27,20,21,28) -117.0528 estimate D2E/DX2 ! ! D75 D(27,20,21,29) -0.0081 estimate D2E/DX2 ! ! D76 D(20,21,22,23) -0.0435 estimate D2E/DX2 ! ! D77 D(20,21,22,30) 121.4376 estimate D2E/DX2 ! ! D78 D(20,21,22,31) -121.472 estimate D2E/DX2 ! ! D79 D(28,21,22,23) -121.4922 estimate D2E/DX2 ! ! D80 D(28,21,22,30) -0.0111 estimate D2E/DX2 ! ! D81 D(28,21,22,31) 117.0794 estimate D2E/DX2 ! ! D82 D(29,21,22,23) 121.4676 estimate D2E/DX2 ! ! D83 D(29,21,22,30) -117.0513 estimate D2E/DX2 ! ! D84 D(29,21,22,31) 0.0392 estimate D2E/DX2 ! ! D85 D(21,22,23,24) 0.0014 estimate D2E/DX2 ! ! D86 D(21,22,23,32) 121.5332 estimate D2E/DX2 ! ! D87 D(21,22,23,33) -121.43 estimate D2E/DX2 ! ! D88 D(30,22,23,24) -121.4992 estimate D2E/DX2 ! ! D89 D(30,22,23,32) 0.0326 estimate D2E/DX2 ! ! D90 D(30,22,23,33) 117.0694 estimate D2E/DX2 ! ! D91 D(31,22,23,24) 121.3917 estimate D2E/DX2 ! ! D92 D(31,22,23,32) -117.0765 estimate D2E/DX2 ! ! D93 D(31,22,23,33) -0.0397 estimate D2E/DX2 ! ! D94 D(22,23,24,17) 0.0421 estimate D2E/DX2 ! ! D95 D(22,23,24,34) 121.5201 estimate D2E/DX2 ! ! D96 D(22,23,24,35) -121.4698 estimate D2E/DX2 ! ! D97 D(32,23,24,17) -121.4626 estimate D2E/DX2 ! ! D98 D(32,23,24,34) 0.0154 estimate D2E/DX2 ! ! D99 D(32,23,24,35) 117.0255 estimate D2E/DX2 ! ! D100 D(33,23,24,17) 121.4549 estimate D2E/DX2 ! ! D101 D(33,23,24,34) -117.0671 estimate D2E/DX2 ! ! D102 D(33,23,24,35) -0.057 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= 210 maximum allowed number of steps= 210. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.958000 -5.037000 2.040000 2 6 0 7.355000 -4.850000 3.500000 3 8 0 6.632000 -6.405000 1.860000 4 8 0 2.687000 -1.916000 0.470000 5 6 0 3.606000 -2.659000 0.830000 6 7 0 4.912000 -2.218000 0.820000 7 6 0 6.031000 -2.941000 1.200000 8 8 0 7.148000 -2.461000 1.150000 9 7 0 5.785000 -4.219000 1.620000 10 6 0 4.517000 -4.743000 1.670000 11 6 0 3.456000 -4.018000 1.300000 12 1 0 7.809000 -4.789000 1.406000 13 1 0 7.613000 -3.806000 3.676000 14 1 0 8.215000 -5.480000 3.727000 15 1 0 5.078000 -1.216000 0.485000 16 1 0 4.373000 -5.766000 2.017000 17 6 0 2.012000 -4.553000 1.331000 18 1 0 6.521000 -5.131000 4.143000 19 1 0 7.467000 -6.998000 2.092000 20 6 0 1.754000 -6.070000 1.365000 21 6 0 0.310000 -6.605000 1.396000 22 6 0 -0.876000 -5.622000 1.392000 23 6 0 -0.617000 -4.104000 1.358000 24 6 0 0.827000 -3.570000 1.328000 25 1 0 2.027000 -4.531000 2.420000 26 1 0 2.225000 -6.490000 0.476000 27 1 0 2.250000 -6.454000 2.256000 28 1 0 0.192000 -7.243000 0.520000 29 1 0 0.217000 -7.207000 2.299000 30 1 0 -1.478000 -5.858000 0.515000 31 1 0 -1.453000 -5.823000 2.295000 32 1 0 -1.114000 -3.720000 0.467000 33 1 0 -1.089000 -3.685000 2.247000 34 1 0 0.920000 -2.967000 0.424000 35 1 0 0.945000 -2.932000 2.204000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524525 0.000000 3 O 1.417780 2.372837 0.000000 4 O 5.517878 6.291222 6.135654 0.000000 5 C 4.284260 5.097488 4.924438 1.235399 0.000000 6 N 3.690701 4.480856 4.644456 2.272516 1.378484 7 C 2.440931 3.269137 3.577163 3.572935 2.469220 8 O 2.732028 3.357480 4.040482 4.545321 3.561933 9 N 1.490454 2.529320 2.356609 4.027892 2.793876 10 C 2.486326 3.378549 2.696585 3.575029 2.424578 11 C 3.721554 4.553507 4.012274 2.387188 1.445780 12 H 1.089799 2.143519 2.050098 5.946857 4.746987 13 H 2.149624 1.089714 3.318888 6.173817 5.046917 14 H 2.149946 1.089967 2.616716 7.339546 6.131356 15 H 4.533483 5.242224 5.588494 2.491406 2.089990 16 H 2.685925 3.454080 2.352881 4.478650 3.413313 17 C 5.019946 5.774116 5.005412 2.854946 2.525683 18 H 2.149980 1.089939 2.616770 6.206989 5.058061 19 H 2.026649 2.570780 1.050094 7.162821 5.943642 20 C 5.348302 6.117011 4.914482 4.350544 3.918042 21 C 6.860704 7.559025 6.342159 5.338008 5.172513 22 C 7.882492 8.531647 7.563212 5.222977 5.402179 23 C 7.662652 8.288393 7.621982 4.061072 4.494501 24 C 6.344146 6.997912 6.482150 2.632770 2.966609 25 H 4.971438 5.445709 5.003149 3.328111 2.919884 26 H 5.192167 6.176656 4.619992 4.597277 4.087669 27 H 4.921363 5.493758 4.400130 4.896346 4.274838 28 H 7.277059 8.118831 6.631097 5.882555 5.724033 29 H 7.086400 7.612417 6.479826 6.118891 5.858975 30 H 8.611955 9.378069 8.238952 5.734860 6.014971 31 H 8.451493 8.943132 8.117584 5.977865 6.144152 32 H 8.328625 9.066419 8.315659 4.207378 4.851380 33 H 8.162412 8.615589 8.195243 4.532689 5.010348 34 H 6.584360 7.376767 6.819742 2.056455 2.733916 35 H 6.372918 6.815163 6.672483 2.659620 3.007212 6 7 8 9 10 6 N 0.000000 7 C 1.385384 0.000000 8 O 2.273245 1.216795 0.000000 9 N 2.325109 1.367553 2.273595 0.000000 10 C 2.693353 2.400062 3.521375 1.372917 0.000000 11 C 2.364389 2.792947 4.009690 2.359458 1.337253 12 H 3.917403 2.572708 2.433524 2.113592 3.302889 13 H 4.239561 3.062928 2.899298 2.781958 3.806208 14 H 5.477326 4.195486 4.110204 3.454630 4.295302 15 H 1.069479 2.096440 2.505424 3.287261 3.762801 16 H 3.783072 3.375956 4.401743 2.131798 1.089805 17 C 3.758104 4.332213 5.548668 3.798764 2.534965 18 H 4.702848 3.701006 4.059566 2.781900 3.206601 19 H 5.567262 4.395112 4.644728 3.282491 3.737059 20 C 5.010778 5.301943 6.493562 4.442993 3.080280 21 C 6.384039 6.796554 7.999468 5.976520 4.608793 22 C 6.739091 7.411564 8.627576 6.810970 5.471231 23 C 5.866539 6.750810 7.939643 6.408391 5.183013 24 C 4.332804 5.243438 6.420016 5.008815 3.887029 25 H 4.029044 4.477557 5.667666 3.854855 2.609127 26 H 5.058487 5.254066 6.397112 4.374903 3.119440 27 H 5.205001 5.268042 6.415426 4.230360 2.900036 28 H 6.900654 7.284471 8.464654 6.452614 5.126219 29 H 7.008608 7.294460 8.478412 6.355455 4.995692 30 H 7.360348 8.084751 9.292508 7.527185 6.206229 31 H 7.462230 8.094146 9.305443 7.444265 6.099010 32 H 6.220393 7.224621 8.385238 7.012461 5.848239 33 H 6.340380 7.234925 8.399390 6.923161 5.734067 34 H 4.080917 5.169640 6.290556 5.163927 4.200607 35 H 4.261730 5.184158 6.309514 5.042125 4.040305 11 12 13 14 15 11 C 0.000000 12 H 4.422023 0.000000 13 H 4.792804 2.481452 0.000000 14 H 5.538579 2.455475 1.779686 0.000000 15 H 3.338609 4.590526 4.828748 6.207498 0.000000 16 H 2.100115 3.624079 4.134184 4.215075 4.852479 17 C 1.540234 5.802287 6.117862 6.713967 4.609950 18 H 4.326158 3.044187 1.779376 1.778902 5.548913 19 H 5.059228 2.338213 3.566404 2.353094 6.459202 20 C 2.666783 6.189157 6.692854 6.904467 5.948503 21 C 4.074199 7.715760 8.146570 8.317945 7.252935 22 C 4.620336 8.724867 8.976504 9.387155 7.462279 23 C 4.074321 8.453934 8.555398 9.247149 6.444819 24 C 2.667045 7.088044 7.184608 7.999115 4.931832 25 H 1.886693 5.875907 5.771183 6.395326 4.903269 26 H 2.881861 5.910952 6.817214 6.889790 5.996229 27 H 2.881400 5.864913 6.147363 6.220429 6.210529 28 H 4.654323 8.051447 8.766102 8.818251 7.758798 29 H 4.653906 8.017645 8.256134 8.306005 7.925402 30 H 5.324113 9.390687 9.841184 10.218321 8.033069 31 H 5.324127 9.361844 9.389771 9.779494 8.194786 32 H 4.654846 9.035730 9.298688 10.037701 6.679162 33 H 4.654538 9.005582 8.819381 9.590456 6.872590 34 H 2.881540 7.193214 7.488369 8.392973 4.512060 35 H 2.881273 7.155400 6.884249 7.852690 4.793882 16 17 18 19 20 16 H 0.000000 17 C 2.741585 0.000000 18 H 3.088204 5.345326 0.000000 19 H 3.331109 6.026124 2.930393 0.000000 20 C 2.716005 1.539159 5.596722 5.833359 0.000000 21 C 4.194941 2.666783 6.949475 7.201494 1.540234 22 C 5.288040 3.080102 7.907256 8.484635 2.668020 23 C 5.300625 2.667203 7.730588 8.617717 3.080072 24 C 4.227440 1.539650 6.540840 7.511623 2.666589 25 H 2.681669 1.089325 4.850233 5.982246 1.885756 26 H 2.740942 2.127995 5.809422 5.508910 1.090212 27 H 2.244459 2.127456 4.853096 5.247849 1.089657 28 H 4.680096 3.347569 7.592293 7.446935 2.128332 29 H 4.407759 3.347053 6.888434 7.255965 2.127791 30 H 6.041413 3.814313 8.813337 9.154210 3.348622 31 H 5.832907 3.814239 8.214539 8.999346 3.348247 32 H 6.057705 3.348471 8.590525 9.328423 3.815013 33 H 5.849522 3.347937 7.974825 9.176335 3.814289 34 H 4.721786 2.128499 7.062936 7.867299 3.348081 35 H 4.451709 2.127971 6.299770 7.686442 3.347454 21 22 23 24 25 21 C 0.000000 22 C 1.540422 0.000000 23 C 2.667541 1.540312 0.000000 24 C 3.079470 2.667397 1.539868 0.000000 25 H 2.880649 3.267181 2.881130 1.885732 0.000000 26 H 2.127640 3.347937 3.814169 3.347642 2.766952 27 H 2.127440 3.348223 3.814262 3.347173 1.942821 28 H 1.090112 2.128062 3.348141 3.814055 3.785785 29 H 1.089248 2.128268 3.348081 3.813491 3.232912 30 H 2.128641 1.089600 2.128024 3.347975 4.204162 31 H 2.127885 1.090293 2.128809 3.348059 3.714201 32 H 3.348737 2.128350 1.090113 2.128686 3.786530 33 H 3.347806 2.127995 1.090260 2.128108 3.233435 34 H 3.814699 3.348382 2.127791 1.090630 2.766868 35 H 3.814055 3.348356 2.128179 1.090112 1.942725 26 27 28 29 30 26 H 0.000000 27 H 1.780540 0.000000 28 H 2.168417 2.805634 0.000000 29 H 2.805260 2.168397 1.779540 0.000000 30 H 3.756748 4.157437 2.169597 2.806329 0.000000 31 H 4.157082 3.756580 2.805896 2.168956 1.780520 32 H 4.338422 4.689539 3.757655 4.157758 2.169296 33 H 4.689036 4.337783 4.157265 3.756704 2.805900 34 H 3.757294 4.157438 4.338591 4.689076 3.757202 35 H 4.157373 3.756356 4.689092 4.337584 4.157538 31 32 33 34 35 31 H 0.000000 32 H 2.806976 0.000000 33 H 2.169296 1.780520 0.000000 34 H 4.157945 2.169335 2.806231 0.000000 35 H 3.757202 2.806705 2.169335 1.780520 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.218819 -1.144811 -0.101427 2 6 0 3.771109 -1.435865 1.289415 3 8 0 2.718995 -2.364283 -0.624077 4 8 0 -0.785434 2.651102 -0.164579 5 6 0 0.069879 1.759783 -0.150415 6 7 0 1.411788 2.071848 -0.196392 7 6 0 2.469054 1.176705 -0.182451 8 8 0 3.624919 1.553726 -0.231652 9 7 0 2.115540 -0.142859 -0.119375 10 6 0 0.805235 -0.548973 -0.063953 11 6 0 -0.193515 0.340197 -0.075058 12 1 0 4.029342 -0.791782 -0.738674 13 1 0 4.165307 -0.517512 1.723823 14 1 0 4.568797 -2.175110 1.217023 15 1 0 1.661851 3.110405 -0.247911 16 1 0 0.575589 -1.612930 -0.009804 17 6 0 -1.680897 -0.055858 -0.018877 18 1 0 2.974369 -1.824387 1.923625 19 1 0 3.496783 -3.067730 -0.677988 20 6 0 -2.110775 -1.486545 -0.389484 21 6 0 -3.598157 -1.882599 -0.333302 22 6 0 -4.655639 -0.846718 0.092824 23 6 0 -4.224656 0.584835 0.463593 24 6 0 -2.737296 0.979641 0.408074 25 1 0 -1.560648 -0.360929 1.019922 26 1 0 -1.778391 -1.660529 -1.413111 27 1 0 -1.581359 -2.159177 0.284784 28 1 0 -3.872410 -2.218025 -1.333612 29 1 0 -3.675471 -2.716376 0.363334 30 1 0 -5.361285 -0.758794 -0.732744 31 1 0 -5.164370 -1.258393 0.964865 32 1 0 -4.755060 1.257552 -0.210551 33 1 0 -4.558145 0.757953 1.487058 34 1 0 -2.659959 1.814666 -0.289225 35 1 0 -2.463044 1.315066 1.408384 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8284962 0.2663776 0.2111773 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1259.6498799174 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.48D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 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) = -798.302086447 A.U. after 16 cycles NFock= 16 Conv=0.33D-08 -V/T= 2.0020 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.60121 -20.54049 -20.52955 -15.64009 -15.62736 Alpha occ. eigenvalues -- -11.40998 -11.36737 -11.35178 -11.30822 -11.25175 Alpha occ. eigenvalues -- -11.23771 -11.22476 -11.22382 -11.21668 -11.20947 Alpha occ. eigenvalues -- -11.20547 -11.20036 -1.43017 -1.38658 -1.37760 Alpha occ. eigenvalues -- -1.29706 -1.23386 -1.12395 -1.07583 -1.03087 Alpha occ. eigenvalues -- -1.00250 -0.99654 -0.91957 -0.90850 -0.85861 Alpha occ. eigenvalues -- -0.84018 -0.81925 -0.76800 -0.73352 -0.70756 Alpha occ. eigenvalues -- -0.69225 -0.67784 -0.67325 -0.65728 -0.65434 Alpha occ. eigenvalues -- -0.63158 -0.63049 -0.61325 -0.60512 -0.59804 Alpha occ. eigenvalues -- -0.58512 -0.57744 -0.56299 -0.54761 -0.53561 Alpha occ. eigenvalues -- -0.52834 -0.50856 -0.50664 -0.49234 -0.48459 Alpha occ. eigenvalues -- -0.47330 -0.46465 -0.45837 -0.44833 -0.42807 Alpha occ. eigenvalues -- -0.41813 -0.41361 -0.38987 -0.31451 Alpha virt. eigenvalues -- 0.11260 0.17430 0.18337 0.19630 0.22840 Alpha virt. eigenvalues -- 0.23508 0.25201 0.26023 0.26338 0.27668 Alpha virt. eigenvalues -- 0.28729 0.29625 0.30642 0.31145 0.32300 Alpha virt. eigenvalues -- 0.32497 0.33069 0.35410 0.36205 0.38065 Alpha virt. eigenvalues -- 0.38568 0.38936 0.40155 0.40681 0.41238 Alpha virt. eigenvalues -- 0.41593 0.42444 0.43790 0.45712 0.46655 Alpha virt. eigenvalues -- 0.48282 0.50974 0.52715 0.54506 0.56082 Alpha virt. eigenvalues -- 0.58799 0.59479 0.66128 0.67963 0.68764 Alpha virt. eigenvalues -- 0.70524 0.70836 0.72753 0.74654 0.75264 Alpha virt. eigenvalues -- 0.76261 0.77199 0.79968 0.80842 0.83542 Alpha virt. eigenvalues -- 0.84599 0.85450 0.85731 0.86730 0.88443 Alpha virt. eigenvalues -- 0.89144 0.89666 0.91593 0.92110 0.92840 Alpha virt. eigenvalues -- 0.93101 0.93846 0.95585 0.96068 0.98258 Alpha virt. eigenvalues -- 0.98499 0.99244 1.01832 1.02553 1.03239 Alpha virt. eigenvalues -- 1.03781 1.06029 1.07243 1.07865 1.09251 Alpha virt. eigenvalues -- 1.09427 1.10904 1.11398 1.12494 1.13168 Alpha virt. eigenvalues -- 1.14267 1.16147 1.16400 1.16888 1.17100 Alpha virt. eigenvalues -- 1.18029 1.18804 1.19147 1.19712 1.19887 Alpha virt. eigenvalues -- 1.21647 1.21686 1.22642 1.23940 1.25865 Alpha virt. eigenvalues -- 1.27060 1.28004 1.28926 1.31034 1.32473 Alpha virt. eigenvalues -- 1.34245 1.36819 1.37769 1.38841 1.39000 Alpha virt. eigenvalues -- 1.41305 1.43544 1.44802 1.48325 1.49962 Alpha virt. eigenvalues -- 1.52770 1.54803 1.57279 1.60214 1.63259 Alpha virt. eigenvalues -- 1.65416 1.66340 1.66564 1.68958 1.69664 Alpha virt. eigenvalues -- 1.71871 1.74284 1.76315 1.78941 1.81628 Alpha virt. eigenvalues -- 1.83569 1.86860 1.89395 1.90749 1.94198 Alpha virt. eigenvalues -- 1.96682 1.99075 2.01800 2.02639 2.04055 Alpha virt. eigenvalues -- 2.04130 2.06316 2.07855 2.09735 2.11235 Alpha virt. eigenvalues -- 2.12057 2.12625 2.13623 2.14810 2.16195 Alpha virt. eigenvalues -- 2.17056 2.19519 2.21788 2.22976 2.23487 Alpha virt. eigenvalues -- 2.25295 2.26524 2.29275 2.29745 2.32517 Alpha virt. eigenvalues -- 2.33928 2.37026 2.39250 2.41822 2.42471 Alpha virt. eigenvalues -- 2.43981 2.44986 2.45105 2.46452 2.47912 Alpha virt. eigenvalues -- 2.49359 2.50758 2.51064 2.51925 2.52828 Alpha virt. eigenvalues -- 2.55548 2.56410 2.59412 2.60947 2.63355 Alpha virt. eigenvalues -- 2.63986 2.65513 2.66851 2.69498 2.71140 Alpha virt. eigenvalues -- 2.72924 2.74418 2.75367 2.80806 2.81386 Alpha virt. eigenvalues -- 2.83111 2.89633 2.90059 2.91782 2.94490 Alpha virt. eigenvalues -- 2.96006 2.98249 2.99781 3.00413 3.02132 Alpha virt. eigenvalues -- 3.03087 3.03916 3.05845 3.11602 3.17910 Alpha virt. eigenvalues -- 3.19362 3.22607 3.26019 3.30861 3.32783 Alpha virt. eigenvalues -- 3.37938 3.40663 3.46022 3.67513 3.84148 Alpha virt. eigenvalues -- 4.20915 4.41588 4.44750 4.45788 4.51722 Alpha virt. eigenvalues -- 4.59668 4.65727 4.70880 4.72434 4.76302 Alpha virt. eigenvalues -- 4.86297 4.91379 4.93186 4.94476 5.07526 Alpha virt. eigenvalues -- 5.14749 5.24554 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.557441 0.372107 0.204724 0.000001 -0.000148 0.002333 2 C 0.372107 5.180661 -0.069604 -0.000000 0.000023 -0.000163 3 O 0.204724 -0.069604 8.445262 0.000000 0.000010 -0.000020 4 O 0.000001 -0.000000 0.000000 8.226999 0.598281 -0.086444 5 C -0.000148 0.000023 0.000010 0.598281 4.035041 0.239184 6 N 0.002333 -0.000163 -0.000020 -0.086444 0.239184 7.521847 7 C -0.024368 -0.001187 0.001240 0.000925 -0.020165 0.297703 8 O 0.004567 -0.002243 0.000155 -0.000016 0.000976 -0.084132 9 N 0.211003 -0.065117 -0.041971 -0.000058 -0.003984 -0.112226 10 C -0.026529 -0.000263 -0.005213 0.003513 -0.044700 -0.003216 11 C 0.000353 -0.000208 -0.000119 -0.085814 0.368118 -0.115593 12 H 0.426292 -0.057394 -0.034297 -0.000000 -0.000012 0.000160 13 H -0.031511 0.374840 0.003711 0.000000 -0.000004 -0.000000 14 H -0.035324 0.383889 -0.000018 0.000000 -0.000000 0.000002 15 H -0.000038 0.000002 0.000000 0.004962 -0.010825 0.293039 16 H -0.002528 0.000032 0.006772 -0.000028 0.001651 -0.000295 17 C -0.000051 -0.000000 -0.000006 0.002454 -0.024012 0.002254 18 H -0.030751 0.379597 0.000678 -0.000000 0.000004 -0.000011 19 H -0.022286 -0.001227 0.253177 -0.000000 -0.000000 0.000002 20 C -0.000000 -0.000000 -0.000007 0.000057 0.001389 -0.000024 21 C -0.000000 -0.000000 -0.000000 -0.000000 -0.000021 0.000000 22 C 0.000000 -0.000000 0.000000 -0.000013 -0.000008 -0.000000 23 C -0.000000 0.000000 0.000000 0.001145 0.000161 0.000003 24 C 0.000001 0.000000 0.000000 -0.031094 -0.005506 -0.000230 25 H -0.000011 -0.000000 0.000000 0.000032 0.000584 -0.000283 26 H -0.000002 -0.000000 0.000002 0.000002 0.000063 -0.000008 27 H 0.000004 0.000000 -0.000016 -0.000003 -0.000103 0.000002 28 H 0.000000 0.000000 -0.000000 -0.000000 0.000001 -0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000001 -0.000000 30 H -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 31 H 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 32 H 0.000000 -0.000000 -0.000000 -0.000001 -0.000002 -0.000000 33 H 0.000000 -0.000000 -0.000000 -0.000023 -0.000009 -0.000000 34 H -0.000000 0.000000 0.000000 -0.005114 0.000637 -0.000016 35 H 0.000000 0.000000 -0.000000 -0.000924 0.001131 -0.000045 7 8 9 10 11 12 1 C -0.024368 0.004567 0.211003 -0.026529 0.000353 0.426292 2 C -0.001187 -0.002243 -0.065117 -0.000263 -0.000208 -0.057394 3 O 0.001240 0.000155 -0.041971 -0.005213 -0.000119 -0.034297 4 O 0.000925 -0.000016 -0.000058 0.003513 -0.085814 -0.000000 5 C -0.020165 0.000976 -0.003984 -0.044700 0.368118 -0.000012 6 N 0.297703 -0.084132 -0.112226 -0.003216 -0.115593 0.000160 7 C 3.781233 0.631272 0.290460 -0.033865 -0.001405 -0.002236 8 O 0.631272 8.177709 -0.099140 0.001382 -0.000089 0.005130 9 N 0.290460 -0.099140 7.494723 0.229468 -0.031423 -0.045394 10 C -0.033865 0.001382 0.229468 4.814380 0.593691 0.003329 11 C -0.001405 -0.000089 -0.031423 0.593691 5.327365 0.000137 12 H -0.002236 0.005130 -0.045394 0.003329 0.000137 0.488088 13 H 0.001464 0.003367 -0.001567 0.000081 0.000016 0.000155 14 H 0.000062 0.000002 0.004233 -0.000104 0.000001 -0.001601 15 H -0.012572 0.003085 0.003120 -0.000848 0.005571 -0.000001 16 H 0.000944 -0.000050 -0.028900 0.378385 -0.025155 0.000230 17 C 0.000212 -0.000001 0.002305 -0.049919 0.316710 0.000000 18 H 0.000092 -0.000002 -0.003154 0.001611 0.000049 0.004043 19 H 0.000002 0.000007 0.004695 0.000131 0.000014 -0.003152 20 C -0.000006 0.000000 0.000038 -0.001337 -0.038503 0.000000 21 C 0.000000 0.000000 -0.000001 0.000067 0.002436 0.000000 22 C 0.000000 -0.000000 0.000000 -0.000001 -0.000038 0.000000 23 C -0.000000 0.000000 0.000000 -0.000029 0.002898 0.000000 24 C 0.000005 0.000000 -0.000049 0.002817 -0.020371 -0.000000 25 H -0.000000 -0.000000 0.000209 -0.017299 -0.102184 0.000000 26 H -0.000003 0.000000 -0.000086 0.001644 -0.003758 0.000000 27 H 0.000001 0.000000 0.000052 0.000217 0.002716 -0.000000 28 H -0.000000 -0.000000 0.000000 -0.000001 -0.000063 -0.000000 29 H -0.000000 -0.000000 -0.000000 -0.000001 -0.000086 -0.000000 30 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000002 0.000000 31 H -0.000000 0.000000 -0.000000 0.000000 0.000005 -0.000000 32 H -0.000000 -0.000000 -0.000000 0.000001 -0.000038 -0.000000 33 H -0.000000 -0.000000 -0.000000 0.000001 -0.000091 -0.000000 34 H -0.000002 0.000000 0.000001 -0.000140 -0.008493 0.000000 35 H 0.000001 0.000000 -0.000001 0.000020 0.002389 -0.000000 13 14 15 16 17 18 1 C -0.031511 -0.035324 -0.000038 -0.002528 -0.000051 -0.030751 2 C 0.374840 0.383889 0.000002 0.000032 -0.000000 0.379597 3 O 0.003711 -0.000018 0.000000 0.006772 -0.000006 0.000678 4 O 0.000000 0.000000 0.004962 -0.000028 0.002454 -0.000000 5 C -0.000004 -0.000000 -0.010825 0.001651 -0.024012 0.000004 6 N -0.000000 0.000002 0.293039 -0.000295 0.002254 -0.000011 7 C 0.001464 0.000062 -0.012572 0.000944 0.000212 0.000092 8 O 0.003367 0.000002 0.003085 -0.000050 -0.000001 -0.000002 9 N -0.001567 0.004233 0.003120 -0.028900 0.002305 -0.003154 10 C 0.000081 -0.000104 -0.000848 0.378385 -0.049919 0.001611 11 C 0.000016 0.000001 0.005571 -0.025155 0.316710 0.000049 12 H 0.000155 -0.001601 -0.000001 0.000230 0.000000 0.004043 13 H 0.492872 -0.020572 -0.000000 -0.000016 0.000000 -0.021218 14 H -0.020572 0.534842 -0.000000 -0.000008 0.000000 -0.025038 15 H -0.000000 -0.000000 0.279929 0.000008 -0.000052 0.000000 16 H -0.000016 -0.000008 0.000008 0.380732 -0.002741 0.000329 17 C 0.000000 0.000000 -0.000052 -0.002741 5.181852 -0.000002 18 H -0.021218 -0.025038 0.000000 0.000329 -0.000002 0.519175 19 H 0.000058 0.002051 -0.000000 -0.000123 0.000000 -0.000287 20 C 0.000000 0.000000 0.000001 0.002300 0.324275 0.000000 21 C 0.000000 0.000000 -0.000000 -0.000050 -0.033381 0.000000 22 C -0.000000 0.000000 0.000000 0.000004 -0.007123 0.000000 23 C 0.000000 -0.000000 -0.000000 -0.000001 -0.028958 0.000000 24 C -0.000000 -0.000000 0.000003 0.000013 0.314385 -0.000000 25 H -0.000000 0.000000 0.000006 0.000153 0.446724 -0.000001 26 H -0.000000 0.000000 0.000000 0.000354 -0.055775 -0.000000 27 H 0.000000 -0.000000 -0.000000 0.001760 -0.052501 -0.000000 28 H 0.000000 -0.000000 0.000000 0.000003 0.002283 0.000000 29 H 0.000000 -0.000000 0.000000 -0.000009 0.002299 -0.000000 30 H -0.000000 0.000000 -0.000000 -0.000000 0.000082 -0.000000 31 H 0.000000 -0.000000 -0.000000 -0.000000 0.000079 0.000000 32 H 0.000000 0.000000 -0.000000 0.000000 0.002321 -0.000000 33 H -0.000000 0.000000 0.000000 0.000000 0.002415 -0.000000 34 H -0.000000 0.000000 0.000012 -0.000002 -0.042593 -0.000000 35 H 0.000000 -0.000000 -0.000001 -0.000009 -0.053665 0.000000 19 20 21 22 23 24 1 C -0.022286 -0.000000 -0.000000 0.000000 -0.000000 0.000001 2 C -0.001227 -0.000000 -0.000000 -0.000000 0.000000 0.000000 3 O 0.253177 -0.000007 -0.000000 0.000000 0.000000 0.000000 4 O -0.000000 0.000057 -0.000000 -0.000013 0.001145 -0.031094 5 C -0.000000 0.001389 -0.000021 -0.000008 0.000161 -0.005506 6 N 0.000002 -0.000024 0.000000 -0.000000 0.000003 -0.000230 7 C 0.000002 -0.000006 0.000000 0.000000 -0.000000 0.000005 8 O 0.000007 0.000000 0.000000 -0.000000 0.000000 0.000000 9 N 0.004695 0.000038 -0.000001 0.000000 0.000000 -0.000049 10 C 0.000131 -0.001337 0.000067 -0.000001 -0.000029 0.002817 11 C 0.000014 -0.038503 0.002436 -0.000038 0.002898 -0.020371 12 H -0.003152 0.000000 0.000000 0.000000 0.000000 -0.000000 13 H 0.000058 0.000000 0.000000 -0.000000 0.000000 -0.000000 14 H 0.002051 0.000000 0.000000 0.000000 -0.000000 -0.000000 15 H -0.000000 0.000001 -0.000000 0.000000 -0.000000 0.000003 16 H -0.000123 0.002300 -0.000050 0.000004 -0.000001 0.000013 17 C 0.000000 0.324275 -0.033381 -0.007123 -0.028958 0.314385 18 H -0.000287 0.000000 0.000000 0.000000 0.000000 -0.000000 19 H 0.314410 0.000000 0.000000 -0.000000 -0.000000 -0.000000 20 C 0.000000 5.115002 0.309593 -0.038910 -0.010287 -0.020418 21 C 0.000000 0.309593 5.117724 0.308192 -0.037901 -0.007572 22 C -0.000000 -0.038910 0.308192 5.139099 0.297308 -0.036908 23 C -0.000000 -0.010287 -0.037901 0.297308 5.156066 0.287709 24 C -0.000000 -0.020418 -0.007572 -0.036908 0.287709 5.127572 25 H -0.000000 -0.082060 0.000680 0.001295 -0.000603 -0.089920 26 H -0.000000 0.392861 -0.037721 0.002805 0.000178 -0.000220 27 H 0.000000 0.423802 -0.044723 0.002626 0.000047 0.004801 28 H 0.000000 -0.042247 0.412864 -0.042754 0.002746 0.000218 29 H 0.000000 -0.045155 0.410817 -0.043274 0.002809 0.000079 30 H 0.000000 0.002890 -0.044994 0.412174 -0.043275 0.002692 31 H 0.000000 0.003142 -0.045539 0.409836 -0.043386 0.002851 32 H 0.000000 0.000191 0.002854 -0.044335 0.416949 -0.044371 33 H 0.000000 0.000056 0.002954 -0.043879 0.407392 -0.041391 34 H 0.000000 0.000621 0.000091 0.002943 -0.045264 0.412459 35 H 0.000000 0.005466 -0.000011 0.003111 -0.047549 0.428306 25 26 27 28 29 30 1 C -0.000011 -0.000002 0.000004 0.000000 0.000000 -0.000000 2 C -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 3 O 0.000000 0.000002 -0.000016 -0.000000 0.000000 0.000000 4 O 0.000032 0.000002 -0.000003 -0.000000 0.000000 0.000000 5 C 0.000584 0.000063 -0.000103 0.000001 0.000001 0.000000 6 N -0.000283 -0.000008 0.000002 -0.000000 -0.000000 0.000000 7 C -0.000000 -0.000003 0.000001 -0.000000 -0.000000 -0.000000 8 O -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 9 N 0.000209 -0.000086 0.000052 0.000000 -0.000000 -0.000000 10 C -0.017299 0.001644 0.000217 -0.000001 -0.000001 -0.000000 11 C -0.102184 -0.003758 0.002716 -0.000063 -0.000086 -0.000002 12 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 13 H -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 0.000006 0.000000 -0.000000 0.000000 0.000000 -0.000000 16 H 0.000153 0.000354 0.001760 0.000003 -0.000009 -0.000000 17 C 0.446724 -0.055775 -0.052501 0.002283 0.002299 0.000082 18 H -0.000001 -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 -0.082060 0.392861 0.423802 -0.042247 -0.045155 0.002890 21 C 0.000680 -0.037721 -0.044723 0.412864 0.410817 -0.044994 22 C 0.001295 0.002805 0.002626 -0.042754 -0.043274 0.412174 23 C -0.000603 0.000178 0.000047 0.002746 0.002809 -0.043275 24 C -0.089920 -0.000220 0.004801 0.000218 0.000079 0.002692 25 H 0.687253 0.011581 -0.030347 -0.000197 0.000337 0.000027 26 H 0.011581 0.572972 -0.036294 -0.010432 0.003066 -0.000032 27 H -0.030347 -0.036294 0.584732 0.003411 -0.009281 -0.000099 28 H -0.000197 -0.010432 0.003411 0.536365 -0.025398 -0.009350 29 H 0.000337 0.003066 -0.009281 -0.025398 0.548553 0.003142 30 H 0.000027 -0.000032 -0.000099 -0.009350 0.003142 0.545472 31 H -0.000202 -0.000114 -0.000049 0.003230 -0.009507 -0.025259 32 H -0.000166 -0.000017 0.000008 -0.000090 -0.000096 -0.009332 33 H 0.000410 0.000007 0.000001 -0.000097 -0.000099 0.003139 34 H 0.009284 0.000329 -0.000177 -0.000017 0.000005 -0.000041 35 H -0.026588 -0.000205 0.000032 0.000008 0.000000 -0.000099 31 32 33 34 35 1 C 0.000000 0.000000 0.000000 -0.000000 0.000000 2 C 0.000000 -0.000000 -0.000000 0.000000 0.000000 3 O -0.000000 -0.000000 -0.000000 0.000000 -0.000000 4 O 0.000000 -0.000001 -0.000023 -0.005114 -0.000924 5 C 0.000000 -0.000002 -0.000009 0.000637 0.001131 6 N 0.000000 -0.000000 -0.000000 -0.000016 -0.000045 7 C -0.000000 -0.000000 -0.000000 -0.000002 0.000001 8 O 0.000000 -0.000000 -0.000000 0.000000 0.000000 9 N -0.000000 -0.000000 -0.000000 0.000001 -0.000001 10 C 0.000000 0.000001 0.000001 -0.000140 0.000020 11 C 0.000005 -0.000038 -0.000091 -0.008493 0.002389 12 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 13 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 14 H -0.000000 0.000000 0.000000 0.000000 -0.000000 15 H -0.000000 -0.000000 0.000000 0.000012 -0.000001 16 H -0.000000 0.000000 0.000000 -0.000002 -0.000009 17 C 0.000079 0.002321 0.002415 -0.042593 -0.053665 18 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 0.003142 0.000191 0.000056 0.000621 0.005466 21 C -0.045539 0.002854 0.002954 0.000091 -0.000011 22 C 0.409836 -0.044335 -0.043879 0.002943 0.003111 23 C -0.043386 0.416949 0.407392 -0.045264 -0.047549 24 C 0.002851 -0.044371 -0.041391 0.412459 0.428306 25 H -0.000202 -0.000166 0.000410 0.009284 -0.026588 26 H -0.000114 -0.000017 0.000007 0.000329 -0.000205 27 H -0.000049 0.000008 0.000001 -0.000177 0.000032 28 H 0.003230 -0.000090 -0.000097 -0.000017 0.000008 29 H -0.009507 -0.000096 -0.000099 0.000005 0.000000 30 H -0.025259 -0.009332 0.003139 -0.000041 -0.000099 31 H 0.552858 0.003223 -0.009748 -0.000093 -0.000067 32 H 0.003223 0.535193 -0.025493 -0.008342 0.003068 33 H -0.009748 -0.025493 0.552106 0.002603 -0.008944 34 H -0.000093 -0.008342 0.002603 0.489165 -0.024766 35 H -0.000067 0.003068 -0.008944 -0.024766 0.562134 Mulliken charges: 1 1 C 0.394722 2 C -0.493745 3 O -0.764462 4 O -0.628840 5 C 0.862244 6 N -0.953823 7 C 1.090194 8 O -0.641981 9 N -0.807237 10 C 0.152724 11 C -0.189040 12 H 0.216522 13 H 0.198324 14 H 0.157582 15 H 0.434598 16 H 0.286246 17 C -0.249869 18 H 0.174888 19 H 0.452528 20 C -0.302728 21 C -0.316357 22 C -0.322148 23 C -0.318158 24 C -0.285866 25 H 0.191286 26 H 0.158804 27 H 0.149382 28 H 0.169517 29 H 0.161800 30 H 0.162865 31 H 0.158743 32 H 0.168475 33 H 0.158689 34 H 0.216910 35 H 0.157207 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.611244 2 C 0.037050 3 O -0.311934 4 O -0.628840 5 C 0.862244 6 N -0.519224 7 C 1.090194 8 O -0.641981 9 N -0.807237 10 C 0.438969 11 C -0.189040 17 C -0.058583 20 C 0.005458 21 C 0.014960 22 C -0.000539 23 C 0.009006 24 C 0.088251 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147264378 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= 18.77 Shift= 10.131361 5.797170 2.670393 Box 1 Number 0 centers from 1 to 104: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.59D+01 RnKept= 1.93D+01 NSMCal= 5460 NSMKep= 4420 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4420 NTPThr= 100 NPartT= 1 Incr= 44 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 44. PRISM was handed 2146890740 working-precision words and 4420 shell-pairs IPart= 0 NShTot= 4420 NBatch= 55 AvBLen= 80.4 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 45. Electronic moments (au): -128.00000000 0.70754217 -1.92263251 0.41527303 -3765.33482688 -1171.66997002 -213.08598655 -7.09933556 0.64011837 -0.47207366 4428.70416368 -280.60323027 -185.11266375 -794.12724566 3041.82685404 -975.32651456 -222.69558206 265.67520896 303.50303190 590.02601785 -199003.59446094 -21456.62163322 -1522.78791990 -4007.78508955 -1258.07879370 1084.40758107 -187.37647413 -1007.84006970 217.82162051 -29660.10454938 -8474.57631908 -1998.50664576 567.51588800 -217.00913443 1267.79311195 Electronic spatial extent (au): = 5150.0908 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 128.00000000 -0.00000000 0.00000000 0.00000000 3690.07216370 1094.72991856 137.56177816 0.00000000 0.00000000 0.00000000 -4373.79393082 247.04917738 181.45789080 869.36723318 -3149.49114430 971.49640694 231.70737568 -262.09942888 -305.57576345 -582.66882797 185484.68312715 17733.42195473 790.40857118 3010.79392325 1263.39821215 -1243.10646359 206.24868868 976.92923450 -207.58754682 26990.15531710 6185.53046157 1227.54171783 -506.88709586 157.15688514 -1274.69651279 Total moments (au): -0.00000000 0.70754217 -1.92263251 0.41527303 -75.26266318 -76.94005147 -75.52420840 -7.09933556 0.64011837 -0.47207366 54.91023285 -33.55405289 -3.65477295 75.23998752 -107.66429026 -3.83010762 9.01179362 3.57578008 -2.07273155 7.35718988 -13518.91133379 -3723.19967849 -732.37934872 -996.99116631 5.31941844 -158.69888253 18.87221455 -30.91083520 10.23407368 -2669.94923228 -2289.04585751 -770.96492793 60.62879214 -59.85224929 -6.90340083 Traceless Quadrup. (au): 0.64631117 -1.03107712 0.38476595 -7.09933556 0.64011837 -0.47207366 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.7984 Y= -4.8868 Z= 1.0555 Tot= 5.3132 Quadrupole moment (field-independent basis, Debye-Ang): XX= -101.2309 YY= -103.4870 ZZ= -101.5826 XY= -9.5488 XZ= 0.8610 YZ= -0.6350 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.8693 YY= -1.3868 ZZ= 0.5175 XY= -9.5488 XZ= 0.8610 YZ= -0.6350 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 39.0830 YYY= -23.8825 ZZZ= -2.6013 XYY= 53.5529 XXY= -76.6313 XXZ= -2.7261 XZZ= 6.4142 YZZ= 2.5451 YYZ= -1.4753 XYZ= 5.2366 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -5091.8703 YYYY= -1402.3355 ZZZZ= -275.8492 XXXY= -375.5147 XXXZ= 2.0035 YYYX= -59.7736 YYYZ= 7.1082 ZZZX= -11.6425 ZZZY= 3.8546 XXYY= -1005.6309 XXZZ= -862.1644 YYZZ= -290.3824 XXYZ= 22.8357 YYXZ= -22.5432 ZZXY= -2.6002 N-N= 1.259649879917D+03 E-N=-4.388194670773D+03 KE= 7.967461801573D+02 Entering OneElI... OneElI was handed 2147305663 working-precision words. Calculate electrostatic properties NBasis = 291 MinDer = 0 MaxDer = 0 NGrid = 35 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 18.77 Shift= 10.131361 5.797170 2.670393 Box 1 Number 0 centers from 1 to 104: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.77D+01 NSMCal= 5460 NSMKep= 3967 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 138845 NTPThr= 100 NPartT= 12 Incr= 115 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 115. PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs PRISM was handed 178807461 working-precision words and 3967 shell-pairs IPart= 0 NShTot= 12460 NBatch= 356 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 11375 NBatch= 325 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 11305 NBatch= 323 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 11445 NBatch= 327 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 9 NShTot= 11095 NBatch= 317 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 8 NShTot= 11200 NBatch= 320 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 11 NShTot= 10990 NBatch= 314 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 10 NShTot= 11095 NBatch= 317 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 11620 NBatch= 332 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 11935 NBatch= 341 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 12285 NBatch= 351 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 2 NShTot= 12040 NBatch= 344 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1381. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.014590 -0.277203 0.291793 2 Atom 0.010204 0.017878 -0.028081 3 Atom -0.203250 -1.485030 1.688279 4 Atom 0.417911 0.276341 -0.694252 5 Atom 0.108468 0.421835 -0.530303 6 Atom -0.388045 -0.463574 0.851620 7 Atom 0.317913 0.113928 -0.431841 8 Atom -0.839559 1.237029 -0.397470 9 Atom -0.472114 -0.494553 0.966667 10 Atom 0.005037 0.315051 -0.320088 11 Atom 0.071765 0.051420 -0.123185 12 Atom -0.093279 0.093542 -0.000263 13 Atom 0.091910 -0.166215 0.074306 14 Atom -0.087058 -0.054642 0.141700 15 Atom 0.084533 -0.240516 0.155983 16 Atom 0.111430 -0.265537 0.154107 17 Atom -0.105942 0.016174 0.089769 18 Atom -0.094545 0.098078 -0.003532 19 Atom -0.090615 -0.050170 0.140785 20 Atom 0.008638 -0.055532 0.046895 21 Atom -0.048274 0.002813 0.045461 22 Atom -0.019295 -0.011428 0.030723 23 Atom -0.012874 -0.020596 0.033470 24 Atom -0.084444 0.030531 0.053913 25 Atom 0.140627 0.107948 -0.248575 26 Atom 0.105228 0.140422 -0.245650 27 Atom 0.036884 -0.023749 -0.013136 28 Atom 0.115144 0.111330 -0.226474 29 Atom 0.141955 -0.114004 -0.027950 30 Atom -0.038385 0.143535 -0.105149 31 Atom 0.054214 0.080148 -0.134362 32 Atom 0.040974 -0.024512 -0.016462 33 Atom 0.106400 0.138573 -0.244973 34 Atom 0.138625 -0.109775 -0.028851 35 Atom 0.109952 0.112243 -0.222195 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.105420 -0.103207 -0.201941 2 Atom 0.033086 -0.008823 0.028823 3 Atom 0.614710 -0.266423 -1.003563 4 Atom 1.411476 -0.100452 -0.092272 5 Atom -0.069814 -0.012897 -0.035586 6 Atom 0.047924 0.023753 0.057705 7 Atom 0.079953 -0.021869 -0.019995 8 Atom -0.782749 0.061224 -0.063380 9 Atom 0.003672 0.042744 0.074732 10 Atom -0.139201 -0.002640 -0.022435 11 Atom -0.052139 0.011772 0.003142 12 Atom -0.093135 0.186343 0.080606 13 Atom -0.136150 -0.070460 -0.152332 14 Atom 0.230255 0.021923 -0.025236 15 Atom -0.086130 0.005386 0.019502 16 Atom -0.087213 0.003516 0.024550 17 Atom -0.067975 0.036437 -0.026504 18 Atom -0.117669 0.191074 0.097887 19 Atom 0.176765 0.003224 -0.025053 20 Atom -0.018063 -0.011071 -0.017675 21 Atom -0.017255 0.005847 -0.008497 22 Atom 0.014452 0.011700 -0.015716 23 Atom -0.009546 0.004244 -0.021000 24 Atom 0.072995 0.031329 -0.097298 25 Atom 0.014742 -0.042314 0.115992 26 Atom 0.019586 0.129015 -0.074865 27 Atom 0.130142 -0.140084 0.169319 28 Atom -0.033492 -0.102574 -0.131285 29 Atom -0.022591 0.022413 0.224213 30 Atom 0.026633 -0.224239 0.022824 31 Atom -0.078055 0.172661 0.134591 32 Atom 0.131935 -0.138464 0.172094 33 Atom 0.016422 0.131079 -0.070394 34 Atom -0.008013 0.014778 0.211955 35 Atom -0.026673 -0.103998 -0.130681 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4881 2.344 0.837 0.782 -0.4256 0.9044 -0.0314 6 N(14) Bbb -0.3666 1.760 0.628 0.587 0.9047 0.4244 -0.0377 Bcc 0.8547 -4.105 -1.465 -1.369 0.0208 0.0445 0.9988 Baa -0.4985 2.394 0.854 0.799 -0.0593 0.9970 -0.0491 9 N(14) Bbb -0.4733 2.273 0.811 0.758 0.9978 0.0577 -0.0326 Bcc 0.9718 -4.667 -1.665 -1.557 0.0297 0.0510 0.9983 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 18:45:05 2024, MaxMem= 2147483648 cpu: 1.3 elap: 0.2 FitSet: NAtFit= 35 NAtPot= 35 NAtFrz= 0 MDM= 39 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 8 1.40 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 1 1.20 17 6 1.50 18 1 1.20 19 1 1.20 20 6 1.50 21 6 1.50 22 6 1.50 23 6 1.50 24 6 1.50 25 1 1.20 26 1 1.20 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 1 1.20 34 1 1.20 35 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 3.218819 -1.144811 -0.101427 Atomic Center 2 is at 3.771109 -1.435865 1.289415 Atomic Center 3 is at 2.718995 -2.364283 -0.624077 Atomic Center 4 is at -0.785434 2.651102 -0.164579 Atomic Center 5 is at 0.069879 1.759783 -0.150415 Atomic Center 6 is at 1.411788 2.071848 -0.196392 Atomic Center 7 is at 2.469054 1.176705 -0.182451 Atomic Center 8 is at 3.624919 1.553726 -0.231652 Atomic Center 9 is at 2.115540 -0.142859 -0.119375 Atomic Center 10 is at 0.805235 -0.548973 -0.063953 Atomic Center 11 is at -0.193515 0.340197 -0.075058 Atomic Center 12 is at 4.029342 -0.791782 -0.738674 Atomic Center 13 is at 4.165307 -0.517512 1.723823 Atomic Center 14 is at 4.568797 -2.175110 1.217023 Atomic Center 15 is at 1.661851 3.110405 -0.247911 Atomic Center 16 is at 0.575589 -1.612930 -0.009804 Atomic Center 17 is at -1.680897 -0.055858 -0.018877 Atomic Center 18 is at 2.974369 -1.824387 1.923625 Atomic Center 19 is at 3.496783 -3.067730 -0.677988 Atomic Center 20 is at -2.110775 -1.486545 -0.389484 Atomic Center 21 is at -3.598157 -1.882599 -0.333302 Atomic Center 22 is at -4.655639 -0.846718 0.092824 Atomic Center 23 is at -4.224656 0.584835 0.463593 Atomic Center 24 is at -2.737296 0.979641 0.408074 Atomic Center 25 is at -1.560648 -0.360929 1.019922 Atomic Center 26 is at -1.778391 -1.660529 -1.413111 Atomic Center 27 is at -1.581359 -2.159177 0.284784 Atomic Center 28 is at -3.872410 -2.218025 -1.333612 Atomic Center 29 is at -3.675471 -2.716376 0.363334 Atomic Center 30 is at -5.361285 -0.758794 -0.732744 Atomic Center 31 is at -5.164370 -1.258393 0.964865 Atomic Center 32 is at -4.755060 1.257552 -0.210551 Atomic Center 33 is at -4.558145 0.757953 1.487058 Atomic Center 34 is at -2.659959 1.814666 -0.289225 Atomic Center 35 is at -2.463044 1.315066 1.408384 ESP Fit Center 36 is at 3.013974 -0.790009 -2.161076 ESP Fit Center 37 is at 2.809129 -1.144811 -2.161076 ESP Fit Center 38 is at 3.218819 -1.144811 -2.201427 ESP Fit Center 39 is at 3.771109 -1.435865 3.389415 ESP Fit Center 40 is at 4.180799 -1.435865 3.349064 ESP Fit Center 41 is at 3.975954 -1.081063 3.349064 ESP Fit Center 42 is at 3.566264 -1.081063 3.349064 ESP Fit Center 43 is at 3.975954 -1.790667 3.349064 ESP Fit Center 44 is at 4.574744 -1.435865 3.229562 ESP Fit Center 45 is at 3.369291 -0.739897 3.229562 ESP Fit Center 46 is at 4.172927 -2.131834 3.229562 ESP Fit Center 47 is at 4.467078 -1.837683 3.229562 ESP Fit Center 48 is at 4.937807 -1.435865 3.035501 ESP Fit Center 49 is at 3.068017 -0.504820 3.035501 ESP Fit Center 50 is at 4.291151 -2.480250 3.035501 ESP Fit Center 51 is at 4.633309 -2.221864 3.035501 ESP Fit Center 52 is at 4.859022 -1.857325 3.035501 ESP Fit Center 53 is at 5.256033 -1.435865 2.774339 ESP Fit Center 54 is at 2.798690 -0.313634 2.774339 ESP Fit Center 55 is at 3.982436 -2.905675 2.774339 ESP Fit Center 56 is at 4.387969 -2.786600 2.774339 ESP Fit Center 57 is at 5.195883 -1.854217 2.774339 ESP Fit Center 58 is at 5.517195 -1.435865 2.456112 ESP Fit Center 59 is at 2.464145 -0.277996 2.456112 ESP Fit Center 60 is at 3.981576 -3.169220 2.456112 ESP Fit Center 61 is at 2.362571 -0.101627 2.093050 ESP Fit Center 62 is at 5.788597 -1.021261 1.699104 ESP Fit Center 63 is at 5.830758 -1.026175 1.289415 ESP Fit Center 64 is at 3.361419 -3.495514 1.289415 ESP Fit Center 65 is at 5.788597 -1.021261 0.879725 ESP Fit Center 66 is at 5.663840 -0.623630 0.879725 ESP Fit Center 67 is at 5.665897 -1.018791 0.485780 ESP Fit Center 68 is at 5.531939 -0.621219 0.485780 ESP Fit Center 69 is at 5.315647 -0.261738 0.485780 ESP Fit Center 70 is at 5.466457 -1.017999 0.122717 ESP Fit Center 71 is at 1.586552 -2.575973 0.961596 ESP Fit Center 72 is at 1.739495 -2.970764 0.961596 ESP Fit Center 73 is at 2.024724 -3.283646 0.961596 ESP Fit Center 74 is at 2.403719 -3.472363 0.961596 ESP Fit Center 75 is at 2.825294 -3.511428 0.961596 ESP Fit Center 76 is at 1.493655 -3.151761 0.687419 ESP Fit Center 77 is at 1.765148 -3.465081 0.687419 ESP Fit Center 78 is at 2.113916 -3.689220 0.687419 ESP Fit Center 79 is at 2.511704 -3.806021 0.687419 ESP Fit Center 80 is at 1.345762 -3.361996 0.355923 ESP Fit Center 81 is at 1.637025 -3.672160 0.355923 ESP Fit Center 82 is at 1.996273 -3.900145 0.355923 ESP Fit Center 83 is at 2.400932 -4.031627 0.355923 ESP Fit Center 84 is at 1.261606 -3.526512 -0.018404 ESP Fit Center 85 is at 1.556766 -3.821672 -0.018404 ESP Fit Center 86 is at 1.910205 -4.043753 -0.018404 ESP Fit Center 87 is at 2.304200 -4.181618 -0.018404 ESP Fit Center 88 is at 1.048755 -3.369233 -0.419201 ESP Fit Center 89 is at 1.303839 -3.704790 -0.419201 ESP Fit Center 90 is at 1.625094 -3.977667 -0.419201 ESP Fit Center 91 is at 1.997498 -4.175103 -0.419201 ESP Fit Center 92 is at 1.048755 -3.369233 -0.828953 ESP Fit Center 93 is at 1.303839 -3.704790 -0.828953 ESP Fit Center 94 is at 1.625094 -3.977667 -0.828953 ESP Fit Center 95 is at 1.997498 -4.175103 -0.828953 ESP Fit Center 96 is at 0.901660 -2.779078 -1.229750 ESP Fit Center 97 is at 1.039525 -3.173073 -1.229750 ESP Fit Center 98 is at 1.261606 -3.526512 -1.229750 ESP Fit Center 99 is at 1.556766 -3.821672 -1.229750 ESP Fit Center 100 is at 1.910205 -4.043753 -1.229750 ESP Fit Center 101 is at 2.304200 -4.181618 -1.229750 ESP Fit Center 102 is at 1.034970 -2.151541 -1.604077 ESP Fit Center 103 is at 1.034970 -2.577025 -1.604077 ESP Fit Center 104 is at 1.140783 -2.989141 -1.604077 ESP Fit Center 105 is at 1.345762 -3.361996 -1.604077 ESP Fit Center 106 is at 1.637025 -3.672160 -1.604077 ESP Fit Center 107 is at 1.996273 -3.900145 -1.604077 ESP Fit Center 108 is at 2.400932 -4.031627 -1.604077 ESP Fit Center 109 is at 1.765148 -1.263486 -1.935573 ESP Fit Center 110 is at 1.493655 -1.576805 -1.935573 ESP Fit Center 111 is at 1.321432 -1.953922 -1.935573 ESP Fit Center 112 is at 1.262431 -2.364283 -1.935573 ESP Fit Center 113 is at 1.321432 -2.774645 -1.935573 ESP Fit Center 114 is at 1.493655 -3.151761 -1.935573 ESP Fit Center 115 is at 1.765148 -3.465081 -1.935573 ESP Fit Center 116 is at 2.113916 -3.689220 -1.935573 ESP Fit Center 117 is at 2.511704 -3.806021 -1.935573 ESP Fit Center 118 is at 3.871054 -2.364283 -2.209750 ESP Fit Center 119 is at 3.793258 -1.948111 -2.209750 ESP Fit Center 120 is at 3.570377 -1.588146 -2.209750 ESP Fit Center 121 is at 3.232512 -1.333002 -2.209750 ESP Fit Center 122 is at 2.825294 -1.217138 -2.209750 ESP Fit Center 123 is at 2.403719 -1.256203 -2.209750 ESP Fit Center 124 is at 2.024724 -1.444920 -2.209750 ESP Fit Center 125 is at 1.739495 -1.757802 -2.209750 ESP Fit Center 126 is at 1.586552 -2.152593 -2.209750 ESP Fit Center 127 is at 1.586552 -2.575973 -2.209750 ESP Fit Center 128 is at 1.739495 -2.970764 -2.209750 ESP Fit Center 129 is at 2.024724 -3.283646 -2.209750 ESP Fit Center 130 is at 2.403719 -3.472363 -2.209750 ESP Fit Center 131 is at 2.825294 -3.511428 -2.209750 ESP Fit Center 132 is at 3.516199 -2.364283 -2.414626 ESP Fit Center 133 is at 3.409394 -1.965681 -2.414626 ESP Fit Center 134 is at 3.117597 -1.673884 -2.414626 ESP Fit Center 135 is at 2.718995 -1.567079 -2.414626 ESP Fit Center 136 is at 2.320393 -1.673884 -2.414626 ESP Fit Center 137 is at 2.028596 -1.965681 -2.414626 ESP Fit Center 138 is at 1.921791 -2.364283 -2.414626 ESP Fit Center 139 is at 2.028596 -2.762885 -2.414626 ESP Fit Center 140 is at 2.320393 -3.054682 -2.414626 ESP Fit Center 141 is at 2.718995 -3.161487 -2.414626 ESP Fit Center 142 is at 3.117597 -3.054682 -2.414626 ESP Fit Center 143 is at 3.409394 -2.762885 -2.414626 ESP Fit Center 144 is at 3.126502 -2.364283 -2.541246 ESP Fit Center 145 is at 2.922748 -2.011372 -2.541246 ESP Fit Center 146 is at 2.515241 -2.011372 -2.541246 ESP Fit Center 147 is at 2.311488 -2.364283 -2.541246 ESP Fit Center 148 is at 2.515241 -2.717194 -2.541246 ESP Fit Center 149 is at 2.922748 -2.717194 -2.541246 ESP Fit Center 150 is at 2.718995 -2.364283 -2.584077 ESP Fit Center 151 is at -0.785434 2.651102 1.795421 ESP Fit Center 152 is at -0.377927 2.651102 1.752591 ESP Fit Center 153 is at -0.581680 3.004013 1.752591 ESP Fit Center 154 is at -0.989187 3.004013 1.752591 ESP Fit Center 155 is at -1.192941 2.651102 1.752591 ESP Fit Center 156 is at -0.989187 2.298190 1.752591 ESP Fit Center 157 is at -0.095035 3.049704 1.625970 ESP Fit Center 158 is at -0.386832 3.341501 1.625970 ESP Fit Center 159 is at -0.785434 3.448306 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3.194079 -1.681316 ESP Fit Center 329 is at 2.499701 2.493308 -1.942478 ESP Fit Center 330 is at 2.273987 2.857848 -1.942478 ESP Fit Center 331 is at 1.931829 3.116233 -1.942478 ESP Fit Center 332 is at 1.519437 3.233569 -1.942478 ESP Fit Center 333 is at 1.092506 3.194008 -1.942478 ESP Fit Center 334 is at 0.708695 3.002893 -1.942478 ESP Fit Center 335 is at 1.092506 0.949689 -1.942478 ESP Fit Center 336 is at 2.215423 2.071848 -2.136539 ESP Fit Center 337 is at 2.107756 2.473666 -2.136539 ESP Fit Center 338 is at 1.813605 2.767817 -2.136539 ESP Fit Center 339 is at 1.411788 2.875484 -2.136539 ESP Fit Center 340 is at 1.009970 2.767817 -2.136539 ESP Fit Center 341 is at 0.715819 2.473666 -2.136539 ESP Fit Center 342 is at 1.009970 1.375880 -2.136539 ESP Fit Center 343 is at 1.411788 1.268213 -2.136539 ESP Fit Center 344 is at 1.821477 2.071848 -2.256041 ESP Fit Center 345 is at 1.616632 2.426650 -2.256041 ESP Fit Center 346 is at 1.206943 2.426650 -2.256041 ESP Fit Center 347 is at 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2.878663 1.079844 ESP Fit Center 405 is at 3.832210 2.995464 1.079844 ESP Fit Center 406 is at 3.417628 2.995464 1.079844 ESP Fit Center 407 is at 3.019841 2.878663 1.079844 ESP Fit Center 408 is at 5.022482 1.143365 1.079844 ESP Fit Center 409 is at 5.322329 1.553726 0.748348 ESP Fit Center 410 is at 5.269002 1.975855 0.748348 ESP Fit Center 411 is at 5.112371 2.371459 0.748348 ESP Fit Center 412 is at 4.862278 2.715683 0.748348 ESP Fit Center 413 is at 4.534437 2.986897 0.748348 ESP Fit Center 414 is at 4.149448 3.168059 0.748348 ESP Fit Center 415 is at 3.731500 3.247786 0.748348 ESP Fit Center 416 is at 3.306856 3.221070 0.748348 ESP Fit Center 417 is at 5.112371 0.735993 0.748348 ESP Fit Center 418 is at 5.269002 1.131597 0.748348 ESP Fit Center 419 is at 5.488990 1.553726 0.374022 ESP Fit Center 420 is at 5.442254 1.968521 0.374022 ESP Fit Center 421 is at 5.304389 2.362516 0.374022 ESP Fit Center 422 is at 5.082308 2.715955 0.374022 ESP Fit Center 423 is at 4.787148 3.011115 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3.417797 -0.837325 ESP Fit Center 462 is at 5.304389 0.744936 -0.837325 ESP Fit Center 463 is at 5.442254 1.138931 -0.837325 ESP Fit Center 464 is at 5.322329 1.553726 -1.211652 ESP Fit Center 465 is at 5.269002 1.975855 -1.211652 ESP Fit Center 466 is at 5.112371 2.371459 -1.211652 ESP Fit Center 467 is at 4.862278 2.715683 -1.211652 ESP Fit Center 468 is at 4.534437 2.986897 -1.211652 ESP Fit Center 469 is at 4.149448 3.168059 -1.211652 ESP Fit Center 470 is at 3.731500 3.247786 -1.211652 ESP Fit Center 471 is at 3.306856 3.221070 -1.211652 ESP Fit Center 472 is at 5.112371 0.735993 -1.211652 ESP Fit Center 473 is at 5.269002 1.131597 -1.211652 ESP Fit Center 474 is at 5.081483 1.553726 -1.543148 ESP Fit Center 475 is at 5.022482 1.964088 -1.543148 ESP Fit Center 476 is at 4.850259 2.341204 -1.543148 ESP Fit Center 477 is at 4.578766 2.654524 -1.543148 ESP Fit Center 478 is at 4.229998 2.878663 -1.543148 ESP Fit Center 479 is at 3.832210 2.995464 -1.543148 ESP Fit Center 480 is at 3.417628 2.995464 -1.543148 ESP Fit Center 481 is at 3.019841 2.878663 -1.543148 ESP Fit Center 482 is at 4.850259 0.766248 -1.543148 ESP Fit Center 483 is at 5.022482 1.143365 -1.543148 ESP Fit Center 484 is at 4.776978 1.553726 -1.817325 ESP Fit Center 485 is at 4.699182 1.969898 -1.817325 ESP Fit Center 486 is at 4.476301 2.329863 -1.817325 ESP Fit Center 487 is at 4.138436 2.585007 -1.817325 ESP Fit Center 488 is at 3.731218 2.700871 -1.817325 ESP Fit Center 489 is at 3.309643 2.661806 -1.817325 ESP Fit Center 490 is at 2.930648 2.473089 -1.817325 ESP Fit Center 491 is at 4.138436 0.522445 -1.817325 ESP Fit Center 492 is at 4.476301 0.777589 -1.817325 ESP Fit Center 493 is at 4.699182 1.137554 -1.817325 ESP Fit Center 494 is at 4.422123 1.553726 -2.022201 ESP Fit Center 495 is at 4.315318 1.952328 -2.022201 ESP Fit Center 496 is at 4.023521 2.244125 -2.022201 ESP Fit Center 497 is at 3.624919 2.350930 -2.022201 ESP Fit Center 498 is at 3.226317 2.244125 -2.022201 ESP Fit Center 499 is at 3.624919 0.756522 -2.022201 ESP Fit Center 500 is at 4.023521 0.863327 -2.022201 ESP Fit Center 501 is at 4.315318 1.155124 -2.022201 ESP Fit Center 502 is at 4.032426 1.553726 -2.148821 ESP Fit Center 503 is at 3.828673 1.906637 -2.148821 ESP Fit Center 504 is at 3.421166 1.906637 -2.148821 ESP Fit Center 505 is at 3.217412 1.553726 -2.148821 ESP Fit Center 506 is at 3.421166 1.200815 -2.148821 ESP Fit Center 507 is at 3.828673 1.200815 -2.148821 ESP Fit Center 508 is at 3.624919 1.553726 -2.191652 ESP Fit Center 509 is at 2.115540 -0.142859 1.980625 ESP Fit Center 510 is at 2.320385 0.211942 1.940274 ESP Fit Center 511 is at 1.910695 0.211942 1.940274 ESP Fit Center 512 is at 1.705850 -0.142859 1.940274 ESP Fit Center 513 is at 1.910695 -0.497661 1.940274 ESP Fit Center 514 is at 1.713723 0.553109 1.820772 ESP Fit Center 515 is at 1.419572 0.258958 1.820772 ESP Fit Center 516 is at 1.412448 0.788185 1.626711 ESP Fit Center 517 is at 2.919175 -0.142859 -2.059522 ESP Fit Center 518 is at 2.811509 0.258958 -2.059522 ESP Fit Center 519 is at 1.713723 0.553109 -2.059522 ESP Fit Center 520 is at 1.419572 0.258958 -2.059522 ESP Fit Center 521 is at 1.713723 -0.838828 -2.059522 ESP Fit Center 522 is at 2.115540 -0.946495 -2.059522 ESP Fit Center 523 is at 2.517358 -0.838828 -2.059522 ESP Fit Center 524 is at 2.525230 -0.142859 -2.179024 ESP Fit Center 525 is at 2.320385 0.211942 -2.179024 ESP Fit Center 526 is at 1.910695 0.211942 -2.179024 ESP Fit Center 527 is at 1.705850 -0.142859 -2.179024 ESP Fit Center 528 is at 1.910695 -0.497661 -2.179024 ESP Fit Center 529 is at 2.320385 -0.497661 -2.179024 ESP Fit Center 530 is at 2.115540 -0.142859 -2.219375 ESP Fit Center 531 is at 0.805235 -0.548973 2.036047 ESP Fit Center 532 is at 1.214924 -0.548973 1.995696 ESP Fit Center 533 is at 1.010080 -0.194171 1.995696 ESP Fit Center 534 is at 0.600390 -0.194171 1.995696 ESP Fit Center 535 is at 0.395545 -0.548973 1.995696 ESP Fit Center 536 is at 0.600390 -0.903774 1.995696 ESP Fit Center 537 is at 1.010080 -0.903774 1.995696 ESP Fit Center 538 is at 1.207052 0.146996 1.876194 ESP Fit Center 539 is at 0.805235 0.254663 1.876194 ESP Fit Center 540 is at 0.001599 -0.548973 1.876194 ESP Fit Center 541 is at 0.109266 -0.950790 1.876194 ESP Fit Center 542 is at 0.403417 -1.244941 1.876194 ESP Fit Center 543 is at 0.805235 -1.352608 1.876194 ESP Fit Center 544 is at 1.207052 -1.244941 1.876194 ESP Fit Center 545 is at 1.501203 -0.950790 1.876194 ESP Fit Center 546 is at -0.186712 -1.163160 1.682133 ESP Fit Center 547 is at 0.102142 -1.480017 1.682133 ESP Fit Center 548 is at 0.485953 -1.671132 1.682133 ESP Fit Center 549 is at 0.912884 -1.710693 1.682133 ESP Fit Center 550 is at 1.325277 -1.593357 1.682133 ESP Fit Center 551 is at -0.186712 -1.163160 -1.810039 ESP Fit Center 552 is at 0.102142 -1.480017 -1.810039 ESP Fit Center 553 is at 0.485953 -1.671132 -1.810039 ESP Fit Center 554 is at 0.912884 -1.710693 -1.810039 ESP Fit Center 555 is at 1.325277 -1.593357 -1.810039 ESP Fit Center 556 is at 1.207052 0.146996 -2.004100 ESP Fit Center 557 is at 0.805235 0.254663 -2.004100 ESP Fit Center 558 is at 0.001599 -0.548973 -2.004100 ESP Fit Center 559 is at 0.109266 -0.950790 -2.004100 ESP Fit Center 560 is at 0.403417 -1.244941 -2.004100 ESP Fit Center 561 is at 0.805235 -1.352608 -2.004100 ESP Fit Center 562 is at 1.207052 -1.244941 -2.004100 ESP Fit Center 563 is at 1.501203 -0.950790 -2.004100 ESP Fit Center 564 is at 1.214924 -0.548973 -2.123602 ESP Fit Center 565 is at 1.010080 -0.194171 -2.123602 ESP Fit Center 566 is at 0.600390 -0.194171 -2.123602 ESP Fit Center 567 is at 0.395545 -0.548973 -2.123602 ESP Fit Center 568 is at 0.600390 -0.903774 -2.123602 ESP Fit Center 569 is at 1.010080 -0.903774 -2.123602 ESP Fit Center 570 is at 0.805235 -0.548973 -2.163953 ESP Fit Center 571 is at -0.193515 0.340197 2.024942 ESP Fit Center 572 is at 0.216175 0.340197 1.984591 ESP Fit Center 573 is at 0.011330 0.694998 1.984591 ESP Fit Center 574 is at -0.398360 0.694998 1.984591 ESP Fit Center 575 is at 0.011330 -0.014605 1.984591 ESP Fit Center 576 is at 0.610120 0.340197 1.865089 ESP Fit Center 577 is at 0.502454 0.742014 1.865089 ESP Fit Center 578 is at 0.208303 1.036165 1.865089 ESP Fit Center 579 is at -0.193515 1.143832 1.865089 ESP Fit Center 580 is at -0.595332 1.036165 1.865089 ESP Fit Center 581 is at 0.894398 0.761656 1.671028 ESP Fit Center 582 is at 0.894398 0.761656 -1.821145 ESP Fit Center 583 is at -1.185461 0.954384 -1.821145 ESP Fit Center 584 is at 0.610120 0.340197 -2.015205 ESP Fit Center 585 is at 0.502454 0.742014 -2.015205 ESP Fit Center 586 is at -0.595332 1.036165 -2.015205 ESP Fit Center 587 is at -0.889483 0.742014 -2.015205 ESP Fit Center 588 is at -0.997150 0.340197 -2.015205 ESP Fit Center 589 is at -0.889483 -0.061621 -2.015205 ESP Fit Center 590 is at -0.595332 -0.355772 -2.015205 ESP Fit Center 591 is at -0.193515 -0.463439 -2.015205 ESP Fit Center 592 is at 0.216175 0.340197 -2.134707 ESP Fit Center 593 is at 0.011330 0.694998 -2.134707 ESP Fit Center 594 is at -0.398360 0.694998 -2.134707 ESP Fit Center 595 is at -0.603205 0.340197 -2.134707 ESP Fit Center 596 is at -0.398360 -0.014605 -2.134707 ESP Fit Center 597 is at 0.011330 -0.014605 -2.134707 ESP Fit Center 598 is at -0.193515 0.340197 -2.175058 ESP Fit Center 599 is at 5.484265 -0.791782 0.101326 ESP Fit Center 600 is at 5.419627 -0.362937 0.101326 ESP Fit Center 601 is at 5.231456 0.027805 0.101326 ESP Fit Center 602 is at 5.652098 -0.791782 -0.303859 ESP Fit Center 603 is at 5.596804 -0.371782 -0.303859 ESP Fit Center 604 is at 5.434690 0.019595 -0.303859 ESP Fit Center 605 is at 5.176804 0.355679 -0.303859 ESP Fit Center 606 is at 5.434690 -1.603160 -0.303859 ESP Fit Center 607 is at 5.596804 -1.211782 -0.303859 ESP Fit Center 608 is at 5.709342 -0.791782 -0.738674 ESP Fit Center 609 is at 5.656562 -0.373983 -0.738674 ESP Fit Center 610 is at 5.501538 0.017564 -0.738674 ESP Fit Center 611 is at 5.254010 0.358257 -0.738674 ESP Fit Center 612 is at 5.254010 -1.941822 -0.738674 ESP Fit Center 613 is at 5.501538 -1.601129 -0.738674 ESP Fit Center 614 is at 5.656562 -1.209582 -0.738674 ESP Fit Center 615 is at 5.652098 -0.791782 -1.173490 ESP Fit Center 616 is at 5.596804 -0.371782 -1.173490 ESP Fit Center 617 is at 5.434690 0.019595 -1.173490 ESP Fit Center 618 is at 5.176804 0.355679 -1.173490 ESP Fit Center 619 is at 5.176804 -1.939244 -1.173490 ESP Fit Center 620 is at 5.434690 -1.603160 -1.173490 ESP Fit Center 621 is at 5.596804 -1.211782 -1.173490 ESP Fit Center 622 is at 5.484265 -0.791782 -1.578674 ESP Fit Center 623 is at 5.419627 -0.362937 -1.578674 ESP Fit Center 624 is at 5.231456 0.027805 -1.578674 ESP Fit Center 625 is at 4.936472 0.345722 -1.578674 ESP Fit Center 626 is at 4.936472 -1.929287 -1.578674 ESP Fit Center 627 is at 5.231456 -1.611370 -1.578674 ESP Fit Center 628 is at 5.419627 -1.220628 -1.578674 ESP Fit Center 629 is at 5.217282 -0.791782 -1.926614 ESP Fit Center 630 is at 5.137063 -0.362649 -1.926614 ESP Fit Center 631 is at 4.907240 0.008527 -1.926614 ESP Fit Center 632 is at 4.558852 0.271617 -1.926614 ESP Fit Center 633 is at 4.138952 0.391089 -1.926614 ESP Fit Center 634 is at 3.704247 0.350808 -1.926614 ESP Fit Center 635 is at 3.313449 0.156214 -1.926614 ESP Fit Center 636 is at 4.138952 -1.974654 -1.926614 ESP Fit Center 637 is at 4.558852 -1.855182 -1.926614 ESP Fit Center 638 is at 4.907240 -1.592092 -1.926614 ESP Fit Center 639 is at 5.137063 -1.220916 -1.926614 ESP Fit Center 640 is at 4.869342 -0.791782 -2.193597 ESP Fit Center 641 is at 4.756804 -0.371782 -2.193597 ESP Fit Center 642 is at 4.449342 -0.064321 -2.193597 ESP Fit Center 643 is at 4.029342 0.048218 -2.193597 ESP Fit Center 644 is at 3.609342 -0.064321 -2.193597 ESP Fit Center 645 is at 3.301881 -0.371782 -2.193597 ESP Fit Center 646 is at 3.189342 -0.791782 -2.193597 ESP Fit Center 647 is at 3.609342 -1.519244 -2.193597 ESP Fit Center 648 is at 4.029342 -1.631782 -2.193597 ESP Fit Center 649 is at 4.449342 -1.519244 -2.193597 ESP Fit Center 650 is at 4.756804 -1.211782 -2.193597 ESP Fit Center 651 is at 4.464158 -0.791782 -2.361430 ESP Fit Center 652 is at 4.246750 -0.415221 -2.361430 ESP Fit Center 653 is at 3.811934 -0.415221 -2.361430 ESP Fit Center 654 is at 3.594526 -0.791782 -2.361430 ESP Fit Center 655 is at 3.811934 -1.168344 -2.361430 ESP Fit Center 656 is at 4.246750 -1.168344 -2.361430 ESP Fit Center 657 is at 4.029342 -0.791782 -2.418674 ESP Fit Center 658 is at 4.165307 -0.517512 3.403823 ESP Fit Center 659 is at 4.600123 -0.517512 3.346578 ESP Fit Center 660 is at 4.382715 -0.140950 3.346578 ESP Fit Center 661 is at 3.947899 -0.140950 3.346578 ESP Fit Center 662 is at 3.730491 -0.517512 3.346578 ESP Fit Center 663 is at 3.947899 -0.894073 3.346578 ESP Fit Center 664 is at 4.382715 -0.894073 3.346578 ESP Fit Center 665 is at 5.005307 -0.517512 3.178746 ESP Fit Center 666 is at 4.892769 -0.097512 3.178746 ESP Fit Center 667 is at 4.585307 0.209950 3.178746 ESP Fit Center 668 is at 4.165307 0.322488 3.178746 ESP Fit Center 669 is at 3.745307 0.209950 3.178746 ESP Fit Center 670 is at 3.437846 -0.097512 3.178746 ESP Fit Center 671 is at 3.325307 -0.517512 3.178746 ESP Fit Center 672 is at 4.892769 -0.937512 3.178746 ESP Fit Center 673 is at 5.353247 -0.517512 2.911762 ESP Fit Center 674 is at 5.273028 -0.088378 2.911762 ESP Fit Center 675 is at 5.043205 0.282798 2.911762 ESP Fit Center 676 is at 4.694818 0.545888 2.911762 ESP Fit Center 677 is at 4.274917 0.665360 2.911762 ESP Fit Center 678 is at 3.840212 0.625079 2.911762 ESP Fit Center 679 is at 3.449414 0.430484 2.911762 ESP Fit Center 680 is at 3.155301 0.107858 2.911762 ESP Fit Center 681 is at 2.997595 -0.299228 2.911762 ESP Fit Center 682 is at 5.273028 -0.946645 2.911762 ESP Fit Center 683 is at 5.620230 -0.517512 2.563823 ESP Fit Center 684 is at 5.555592 -0.088666 2.563823 ESP Fit Center 685 is at 5.367421 0.302075 2.563823 ESP Fit Center 686 is at 5.072437 0.619993 2.563823 ESP Fit Center 687 is at 4.696850 0.836838 2.563823 ESP Fit Center 688 is at 4.274034 0.933343 2.563823 ESP Fit Center 689 is at 3.841557 0.900933 2.563823 ESP Fit Center 690 is at 3.437846 0.742488 2.563823 ESP Fit Center 691 is at 3.098774 0.472087 2.563823 ESP Fit Center 692 is at 2.854467 0.113756 2.563823 ESP Fit Center 693 is at 5.555592 -0.946358 2.563823 ESP Fit Center 694 is at 5.788063 -0.517512 2.158639 ESP Fit Center 695 is at 5.732769 -0.097512 2.158639 ESP Fit Center 696 is at 5.570655 0.293866 2.158639 ESP Fit Center 697 is at 5.312769 0.629950 2.158639 ESP Fit Center 698 is at 4.976685 0.887836 2.158639 ESP Fit Center 699 is at 4.585307 1.049950 2.158639 ESP Fit Center 700 is at 4.165307 1.105244 2.158639 ESP Fit Center 701 is at 3.745307 1.049950 2.158639 ESP Fit Center 702 is at 3.353930 0.887836 2.158639 ESP Fit Center 703 is at 3.017846 0.629950 2.158639 ESP Fit Center 704 is at 2.759960 0.293866 2.158639 ESP Fit Center 705 is at 5.732769 -0.937512 2.158639 ESP Fit Center 706 is at 5.845307 -0.517512 1.723823 ESP Fit Center 707 is at 5.792527 -0.099713 1.723823 ESP Fit Center 708 is at 5.637503 0.291835 1.723823 ESP Fit Center 709 is at 5.389975 0.632527 1.723823 ESP Fit Center 710 is at 5.065496 0.900959 1.723823 ESP Fit Center 711 is at 4.684456 1.080263 1.723823 ESP Fit Center 712 is at 4.270795 1.159173 1.723823 ESP Fit Center 713 is at 3.850507 1.132731 1.723823 ESP Fit Center 714 is at 3.449998 1.002598 1.723823 ESP Fit Center 715 is at 5.792527 -0.935311 1.723823 ESP Fit Center 716 is at 5.788063 -0.517512 1.289007 ESP Fit Center 717 is at 5.732769 -0.097512 1.289007 ESP Fit Center 718 is at 5.570655 0.293866 1.289007 ESP Fit Center 719 is at 5.312769 0.629950 1.289007 ESP Fit Center 720 is at 4.976685 0.887836 1.289007 ESP Fit Center 721 is at 5.620230 -0.517512 0.883823 ESP Fit Center 722 is at 5.555592 -0.088666 0.883823 ESP Fit Center 723 is at 5.367421 0.302075 0.883823 ESP Fit Center 724 is at 5.072437 0.619993 0.883823 ESP Fit Center 725 is at 5.273028 -0.088378 0.535884 ESP Fit Center 726 is at 5.043205 0.282798 0.535884 ESP Fit Center 727 is at 5.003613 -2.175110 2.839778 ESP Fit Center 728 is at 4.786205 -2.551671 2.839778 ESP Fit Center 729 is at 5.408797 -2.175110 2.671946 ESP Fit Center 730 is at 4.568797 -3.015110 2.671946 ESP Fit Center 731 is at 4.988797 -2.902571 2.671946 ESP Fit Center 732 is at 5.296258 -2.595110 2.671946 ESP Fit Center 733 is at 5.756736 -2.175110 2.404962 ESP Fit Center 734 is at 5.676518 -1.745976 2.404962 ESP Fit Center 735 is at 4.243702 -3.317700 2.404962 ESP Fit Center 736 is at 4.678406 -3.357981 2.404962 ESP Fit Center 737 is at 5.098307 -3.238509 2.404962 ESP Fit Center 738 is at 5.446695 -2.975419 2.404962 ESP Fit Center 739 is at 5.676518 -2.604243 2.404962 ESP Fit Center 740 is at 6.023720 -2.175110 2.057023 ESP Fit Center 741 is at 5.959082 -1.746264 2.057023 ESP Fit Center 742 is at 5.770911 -1.355522 2.057023 ESP Fit Center 743 is at 3.841336 -3.435110 2.057023 ESP Fit Center 744 is at 4.245046 -3.593554 2.057023 ESP Fit Center 745 is at 4.677524 -3.625964 2.057023 ESP Fit Center 746 is at 5.100340 -3.529459 2.057023 ESP Fit Center 747 is at 5.475926 -3.312614 2.057023 ESP Fit Center 748 is at 5.770911 -2.994697 2.057023 ESP Fit Center 749 is at 5.959082 -2.603956 2.057023 ESP Fit Center 750 is at 6.191552 -2.175110 1.651839 ESP Fit Center 751 is at 6.136258 -1.755110 1.651839 ESP Fit Center 752 is at 5.974144 -1.363732 1.651839 ESP Fit Center 753 is at 3.757419 -3.580457 1.651839 ESP Fit Center 754 is at 4.148797 -3.742571 1.651839 ESP Fit Center 755 is at 4.568797 -3.797865 1.651839 ESP Fit Center 756 is at 4.988797 -3.742571 1.651839 ESP Fit Center 757 is at 5.380175 -3.580457 1.651839 ESP Fit Center 758 is at 5.716258 -3.322571 1.651839 ESP Fit Center 759 is at 5.974144 -2.986487 1.651839 ESP Fit Center 760 is at 6.136258 -2.595110 1.651839 ESP Fit Center 761 is at 6.248797 -2.175110 1.217023 ESP Fit Center 762 is at 6.196017 -1.757311 1.217023 ESP Fit Center 763 is at 6.040992 -1.365763 1.217023 ESP Fit Center 764 is at 3.853488 -3.695219 1.217023 ESP Fit Center 765 is at 4.253996 -3.825352 1.217023 ESP Fit Center 766 is at 4.674285 -3.851794 1.217023 ESP Fit Center 767 is at 5.087946 -3.772885 1.217023 ESP Fit Center 768 is at 5.468986 -3.593580 1.217023 ESP Fit Center 769 is at 5.793464 -3.325149 1.217023 ESP Fit Center 770 is at 6.040992 -2.984456 1.217023 ESP Fit Center 771 is at 6.196017 -2.592909 1.217023 ESP Fit Center 772 is at 6.191552 -2.175110 0.782207 ESP Fit Center 773 is at 6.136258 -1.755110 0.782207 ESP Fit Center 774 is at 5.974144 -1.363732 0.782207 ESP Fit Center 775 is at 4.148797 -3.742571 0.782207 ESP Fit Center 776 is at 4.568797 -3.797865 0.782207 ESP Fit Center 777 is at 4.988797 -3.742571 0.782207 ESP Fit Center 778 is at 5.380175 -3.580457 0.782207 ESP Fit Center 779 is at 5.716258 -3.322571 0.782207 ESP Fit Center 780 is at 5.974144 -2.986487 0.782207 ESP Fit Center 781 is at 6.136258 -2.595110 0.782207 ESP Fit Center 782 is at 6.023720 -2.175110 0.377023 ESP Fit Center 783 is at 5.959082 -1.746264 0.377023 ESP Fit Center 784 is at 5.770911 -1.355522 0.377023 ESP Fit Center 785 is at 5.100340 -3.529459 0.377023 ESP Fit Center 786 is at 5.475926 -3.312614 0.377023 ESP Fit Center 787 is at 5.770911 -2.994697 0.377023 ESP Fit Center 788 is at 5.959082 -2.603956 0.377023 ESP Fit Center 789 is at 5.756736 -2.175110 0.029084 ESP Fit Center 790 is at 5.676518 -1.745976 0.029084 ESP Fit Center 791 is at 5.098307 -3.238509 0.029084 ESP Fit Center 792 is at 5.446695 -2.975419 0.029084 ESP Fit Center 793 is at 5.676518 -2.604243 0.029084 ESP Fit Center 794 is at 5.408797 -2.175110 -0.237900 ESP Fit Center 795 is at 5.296258 -2.595110 -0.237900 ESP Fit Center 796 is at 1.879259 3.486966 1.374845 ESP Fit Center 797 is at 1.444443 3.486966 1.374845 ESP Fit Center 798 is at 2.389312 3.530405 1.207012 ESP Fit Center 799 is at 2.081851 3.837866 1.207012 ESP Fit Center 800 is at 1.661851 3.950405 1.207012 ESP Fit Center 801 is at 1.241851 3.837866 1.207012 ESP Fit Center 802 is at 2.849790 3.110405 0.940029 ESP Fit Center 803 is at 2.769571 3.539538 0.940029 ESP Fit Center 804 is at 2.539749 3.910714 0.940029 ESP Fit Center 805 is at 2.191361 4.173805 0.940029 ESP Fit Center 806 is at 1.771460 4.293277 0.940029 ESP Fit Center 807 is at 1.336756 4.252995 0.940029 ESP Fit Center 808 is at 0.945957 4.058401 0.940029 ESP Fit Center 809 is at 0.651844 3.735774 0.940029 ESP Fit Center 810 is at 3.052135 3.539251 0.592089 ESP Fit Center 811 is at 2.863964 3.929992 0.592089 ESP Fit Center 812 is at 2.568980 4.247909 0.592089 ESP Fit Center 813 is at 2.193394 4.464754 0.592089 ESP Fit Center 814 is at 1.770577 4.561259 0.592089 ESP Fit Center 815 is at 1.338100 4.528850 0.592089 ESP Fit Center 816 is at 0.934389 4.370405 0.592089 ESP Fit Center 817 is at 0.595317 4.100004 0.592089 ESP Fit Center 818 is at 3.229312 3.530405 0.186905 ESP Fit Center 819 is at 3.067198 3.921782 0.186905 ESP Fit Center 820 is at 2.809312 4.257866 0.186905 ESP Fit Center 821 is at 2.473229 4.515752 0.186905 ESP Fit Center 822 is at 2.081851 4.677866 0.186905 ESP Fit Center 823 is at 1.661851 4.733160 0.186905 ESP Fit Center 824 is at 1.241851 4.677866 0.186905 ESP Fit Center 825 is at 0.850473 4.515752 0.186905 ESP Fit Center 826 is at 0.514389 4.257866 0.186905 ESP Fit Center 827 is at 3.289071 3.528204 -0.247911 ESP Fit Center 828 is at 3.134046 3.919751 -0.247911 ESP Fit Center 829 is at 2.886518 4.260444 -0.247911 ESP Fit Center 830 is at 2.562040 4.528876 -0.247911 ESP Fit Center 831 is at 2.180999 4.708180 -0.247911 ESP Fit Center 832 is at 1.767339 4.787090 -0.247911 ESP Fit Center 833 is at 1.347050 4.760647 -0.247911 ESP Fit Center 834 is at 0.946542 4.630514 -0.247911 ESP Fit Center 835 is at 0.590979 4.404867 -0.247911 ESP Fit Center 836 is at 3.229312 3.530405 -0.682727 ESP Fit Center 837 is at 3.067198 3.921782 -0.682727 ESP Fit Center 838 is at 2.809312 4.257866 -0.682727 ESP Fit Center 839 is at 2.473229 4.515752 -0.682727 ESP Fit Center 840 is at 2.081851 4.677866 -0.682727 ESP Fit Center 841 is at 1.661851 4.733160 -0.682727 ESP Fit Center 842 is at 1.241851 4.677866 -0.682727 ESP Fit Center 843 is at 0.850473 4.515752 -0.682727 ESP Fit Center 844 is at 0.514389 4.257866 -0.682727 ESP Fit Center 845 is at 3.052135 3.539251 -1.087911 ESP Fit Center 846 is at 2.863964 3.929992 -1.087911 ESP Fit Center 847 is at 2.568980 4.247909 -1.087911 ESP Fit Center 848 is at 2.193394 4.464754 -1.087911 ESP Fit Center 849 is at 1.770577 4.561259 -1.087911 ESP Fit Center 850 is at 1.338100 4.528850 -1.087911 ESP Fit Center 851 is at 0.934389 4.370405 -1.087911 ESP Fit Center 852 is at 0.595317 4.100004 -1.087911 ESP Fit Center 853 is at 2.849790 3.110405 -1.435850 ESP Fit Center 854 is at 2.769571 3.539538 -1.435850 ESP Fit Center 855 is at 2.539749 3.910714 -1.435850 ESP Fit Center 856 is at 2.191361 4.173805 -1.435850 ESP Fit Center 857 is at 1.771460 4.293277 -1.435850 ESP Fit Center 858 is at 1.336756 4.252995 -1.435850 ESP Fit Center 859 is at 0.945957 4.058401 -1.435850 ESP Fit Center 860 is at 0.651844 3.735774 -1.435850 ESP Fit Center 861 is at 2.501851 3.110405 -1.702833 ESP Fit Center 862 is at 2.389312 3.530405 -1.702833 ESP Fit Center 863 is at 2.081851 3.837866 -1.702833 ESP Fit Center 864 is at 1.661851 3.950405 -1.702833 ESP Fit Center 865 is at 1.241851 3.837866 -1.702833 ESP Fit Center 866 is at 0.934389 3.530405 -1.702833 ESP Fit Center 867 is at 1.879259 3.486966 -1.870666 ESP Fit Center 868 is at 1.444443 3.486966 -1.870666 ESP Fit Center 869 is at 0.358181 -1.989492 1.612951 ESP Fit Center 870 is at 0.792997 -1.989492 1.612951 ESP Fit Center 871 is at -0.264411 -1.612930 1.445119 ESP Fit Center 872 is at -0.151872 -2.032930 1.445119 ESP Fit Center 873 is at 0.155589 -2.340391 1.445119 ESP Fit Center 874 is at 0.575589 -2.452930 1.445119 ESP Fit Center 875 is at 0.995589 -2.340391 1.445119 ESP Fit Center 876 is at 1.303051 -2.032930 1.445119 ESP Fit Center 877 is at -0.140304 -2.560926 1.178135 ESP Fit Center 878 is at 0.250494 -2.755520 1.178135 ESP Fit Center 879 is at 0.685198 -2.795802 1.178135 ESP Fit Center 880 is at 1.105099 -2.676330 1.178135 ESP Fit Center 881 is at 1.453487 -2.413239 1.178135 ESP Fit Center 882 is at -0.151872 -2.872930 0.830196 ESP Fit Center 883 is at 0.251838 -3.031375 0.830196 ESP Fit Center 884 is at 0.684316 -3.063784 0.830196 ESP Fit Center 885 is at 1.107132 -2.967279 0.830196 ESP Fit Center 886 is at 0.155589 -3.180391 0.425012 ESP Fit Center 887 is at 0.575589 -3.235685 0.425012 ESP Fit Center 888 is at 0.995589 -3.180391 0.425012 ESP Fit Center 889 is at -0.139720 -3.133039 -0.009804 ESP Fit Center 890 is at 0.260789 -3.263172 -0.009804 ESP Fit Center 891 is at 0.681077 -3.289615 -0.009804 ESP Fit Center 892 is at -0.235789 -3.018277 -0.444620 ESP Fit Center 893 is at 0.155589 -3.180391 -0.444620 ESP Fit Center 894 is at 0.575589 -3.235685 -0.444620 ESP Fit Center 895 is at -0.151872 -2.872930 -0.849804 ESP Fit Center 896 is at 0.251838 -3.031375 -0.849804 ESP Fit Center 897 is at 0.684316 -3.063784 -0.849804 ESP Fit Center 898 is at -0.140304 -2.560926 -1.197744 ESP Fit Center 899 is at 0.250494 -2.755520 -1.197744 ESP Fit Center 900 is at 0.685198 -2.795802 -1.197744 ESP Fit Center 901 is at 0.155589 -2.340391 -1.464727 ESP Fit Center 902 is at 0.575589 -2.452930 -1.464727 ESP Fit Center 903 is at 0.358181 -1.989492 -1.632560 ESP Fit Center 904 is at 0.792997 -1.989492 -1.632560 ESP Fit Center 905 is at -1.573248 1.105863 -1.764963 ESP Fit Center 906 is at -2.000179 1.066302 -1.764963 ESP Fit Center 907 is at -2.383990 0.875187 -1.764963 ESP Fit Center 908 is at -2.672843 0.558329 -1.764963 ESP Fit Center 909 is at -2.827729 0.158522 -1.764963 ESP Fit Center 910 is at -1.279080 0.640111 -1.959024 ESP Fit Center 911 is at -1.680897 0.747777 -1.959024 ESP Fit Center 912 is at -2.082715 0.640111 -1.959024 ESP Fit Center 913 is at -2.376866 0.345960 -1.959024 ESP Fit Center 914 is at -2.484532 -0.055858 -1.959024 ESP Fit Center 915 is at -1.271208 -0.055858 -2.078526 ESP Fit Center 916 is at -1.476052 0.298944 -2.078526 ESP Fit Center 917 is at -1.885742 0.298944 -2.078526 ESP Fit Center 918 is at -2.090587 -0.055858 -2.078526 ESP Fit Center 919 is at -1.680897 -0.055858 -2.118877 ESP Fit Center 920 is at 2.974369 -1.824387 3.603625 ESP Fit Center 921 is at 3.409185 -1.824387 3.546380 ESP Fit Center 922 is at 3.191777 -1.447825 3.546380 ESP Fit Center 923 is at 2.756961 -1.447825 3.546380 ESP Fit Center 924 is at 2.539553 -1.824387 3.546380 ESP Fit Center 925 is at 2.756961 -2.200949 3.546380 ESP Fit Center 926 is at 3.191777 -2.200949 3.546380 ESP Fit Center 927 is at 3.814369 -1.824387 3.378547 ESP Fit Center 928 is at 3.394369 -1.096926 3.378547 ESP Fit Center 929 is at 2.974369 -0.984387 3.378547 ESP Fit Center 930 is at 2.554369 -1.096926 3.378547 ESP Fit Center 931 is at 2.246908 -1.404387 3.378547 ESP Fit Center 932 is at 2.134369 -1.824387 3.378547 ESP Fit Center 933 is at 2.246908 -2.244387 3.378547 ESP Fit Center 934 is at 2.554369 -2.551848 3.378547 ESP Fit Center 935 is at 2.974369 -2.664387 3.378547 ESP Fit Center 936 is at 3.394369 -2.551848 3.378547 ESP Fit Center 937 is at 3.701830 -2.244387 3.378547 ESP Fit Center 938 is at 3.083978 -0.641515 3.111564 ESP Fit Center 939 is at 2.649274 -0.681796 3.111564 ESP Fit Center 940 is at 2.258476 -0.876391 3.111564 ESP Fit Center 941 is at 1.964363 -1.199017 3.111564 ESP Fit Center 942 is at 1.806656 -1.606104 3.111564 ESP Fit Center 943 is at 1.806656 -2.042670 3.111564 ESP Fit Center 944 is at 1.964363 -2.449756 3.111564 ESP Fit Center 945 is at 2.258476 -2.772383 3.111564 ESP Fit Center 946 is at 2.649274 -2.966977 3.111564 ESP Fit Center 947 is at 3.083978 -3.007259 3.111564 ESP Fit Center 948 is at 3.503879 -2.887787 3.111564 ESP Fit Center 949 is at 3.852267 -2.624697 3.111564 ESP Fit Center 950 is at 2.650618 -0.405942 2.763625 ESP Fit Center 951 is at 2.246908 -0.564387 2.763625 ESP Fit Center 952 is at 1.907835 -0.834788 2.763625 ESP Fit Center 953 is at 1.663529 -1.193120 2.763625 ESP Fit Center 954 is at 1.535697 -1.607542 2.763625 ESP Fit Center 955 is at 1.535697 -2.041232 2.763625 ESP Fit Center 956 is at 1.663529 -2.455654 2.763625 ESP Fit Center 957 is at 1.907835 -2.813986 2.763625 ESP Fit Center 958 is at 2.246908 -3.084387 2.763625 ESP Fit Center 959 is at 2.650618 -3.242832 2.763625 ESP Fit Center 960 is at 3.083095 -3.275241 2.763625 ESP Fit Center 961 is at 3.505912 -3.178736 2.763625 ESP Fit Center 962 is at 3.881498 -2.961891 2.763625 ESP Fit Center 963 is at 2.162991 -0.419040 2.358441 ESP Fit Center 964 is at 1.826908 -0.676926 2.358441 ESP Fit Center 965 is at 1.569022 -1.013009 2.358441 ESP Fit Center 966 is at 1.406908 -1.404387 2.358441 ESP Fit Center 967 is at 1.351614 -1.824387 2.358441 ESP Fit Center 968 is at 1.406908 -2.244387 2.358441 ESP Fit Center 969 is at 1.569022 -2.635765 2.358441 ESP Fit Center 970 is at 1.826908 -2.971848 2.358441 ESP Fit Center 971 is at 2.162991 -3.229734 2.358441 ESP Fit Center 972 is at 2.554369 -3.391848 2.358441 ESP Fit Center 973 is at 2.974369 -3.447142 2.358441 ESP Fit Center 974 is at 3.394369 -3.391848 2.358441 ESP Fit Center 975 is at 1.615220 -0.836908 1.923625 ESP Fit Center 976 is at 1.412344 -1.205938 1.923625 ESP Fit Center 977 is at 1.307616 -1.613827 1.923625 ESP Fit Center 978 is at 1.307616 -2.034947 1.923625 ESP Fit Center 979 is at 1.412344 -2.442836 1.923625 ESP Fit Center 980 is at 1.615220 -2.811866 1.923625 ESP Fit Center 981 is at 1.903497 -3.118849 1.923625 ESP Fit Center 982 is at 2.259060 -3.344496 1.923625 ESP Fit Center 983 is at 2.659568 -3.474629 1.923625 ESP Fit Center 984 is at 3.079857 -3.501072 1.923625 ESP Fit Center 985 is at 3.493517 -3.422162 1.923625 ESP Fit Center 986 is at 1.406908 -2.244387 1.488809 ESP Fit Center 987 is at 1.569022 -2.635765 1.488809 ESP Fit Center 988 is at 1.826908 -2.971848 1.488809 ESP Fit Center 989 is at 2.162991 -3.229734 1.488809 ESP Fit Center 990 is at 2.554369 -3.391848 1.488809 ESP Fit Center 991 is at 2.974369 -3.447142 1.488809 ESP Fit Center 992 is at 1.663529 -2.455654 1.083625 ESP Fit Center 993 is at 3.076783 -3.795192 0.776935 ESP Fit Center 994 is at 3.496783 -3.907730 0.776935 ESP Fit Center 995 is at 3.916783 -3.795192 0.776935 ESP Fit Center 996 is at 2.780889 -4.015726 0.509952 ESP Fit Center 997 is at 3.171688 -4.210321 0.509952 ESP Fit Center 998 is at 3.606392 -4.250602 0.509952 ESP Fit Center 999 is at 4.026293 -4.131130 0.509952 ESP Fit Center 1000 is at 4.374680 -3.868040 0.509952 ESP Fit Center 1001 is at 2.769321 -4.327730 0.162012 ESP Fit Center 1002 is at 3.173032 -4.486175 0.162012 ESP Fit Center 1003 is at 3.605509 -4.518585 0.162012 ESP Fit Center 1004 is at 4.028326 -4.422080 0.162012 ESP Fit Center 1005 is at 4.403912 -4.205235 0.162012 ESP Fit Center 1006 is at 4.698896 -3.887317 0.162012 ESP Fit Center 1007 is at 4.887067 -3.496576 0.162012 ESP Fit Center 1008 is at 5.119538 -3.067730 -0.243172 ESP Fit Center 1009 is at 2.685405 -4.473078 -0.243172 ESP Fit Center 1010 is at 3.076783 -4.635192 -0.243172 ESP Fit Center 1011 is at 3.496783 -4.690486 -0.243172 ESP Fit Center 1012 is at 3.916783 -4.635192 -0.243172 ESP Fit Center 1013 is at 4.308160 -4.473078 -0.243172 ESP Fit Center 1014 is at 4.644244 -4.215192 -0.243172 ESP Fit Center 1015 is at 4.902130 -3.879108 -0.243172 ESP Fit Center 1016 is at 5.064244 -3.487730 -0.243172 ESP Fit Center 1017 is at 5.176783 -3.067730 -0.677988 ESP Fit Center 1018 is at 5.124002 -2.649931 -0.677988 ESP Fit Center 1019 is at 4.968978 -2.258384 -0.677988 ESP Fit Center 1020 is at 2.425910 -4.362193 -0.677988 ESP Fit Center 1021 is at 2.781473 -4.587840 -0.677988 ESP Fit Center 1022 is at 3.181982 -4.717973 -0.677988 ESP Fit Center 1023 is at 3.602271 -4.744415 -0.677988 ESP Fit Center 1024 is at 4.015931 -4.665505 -0.677988 ESP Fit Center 1025 is at 4.396972 -4.486201 -0.677988 ESP Fit Center 1026 is at 4.721450 -4.217769 -0.677988 ESP Fit Center 1027 is at 4.968978 -3.877076 -0.677988 ESP Fit Center 1028 is at 5.124002 -3.485529 -0.677988 ESP Fit Center 1029 is at 5.119538 -3.067730 -1.112804 ESP Fit Center 1030 is at 5.064244 -2.647730 -1.112804 ESP Fit Center 1031 is at 4.902130 -2.256353 -1.112804 ESP Fit Center 1032 is at 2.685405 -4.473078 -1.112804 ESP Fit Center 1033 is at 3.076783 -4.635192 -1.112804 ESP Fit Center 1034 is at 3.496783 -4.690486 -1.112804 ESP Fit Center 1035 is at 3.916783 -4.635192 -1.112804 ESP Fit Center 1036 is at 4.308160 -4.473078 -1.112804 ESP Fit Center 1037 is at 4.644244 -4.215192 -1.112804 ESP Fit Center 1038 is at 4.902130 -3.879108 -1.112804 ESP Fit Center 1039 is at 5.064244 -3.487730 -1.112804 ESP Fit Center 1040 is at 4.951705 -3.067730 -1.517988 ESP Fit Center 1041 is at 4.887067 -2.638884 -1.517988 ESP Fit Center 1042 is at 4.698896 -2.248143 -1.517988 ESP Fit Center 1043 is at 2.769321 -4.327730 -1.517988 ESP Fit Center 1044 is at 3.173032 -4.486175 -1.517988 ESP Fit Center 1045 is at 3.605509 -4.518585 -1.517988 ESP Fit Center 1046 is at 4.028326 -4.422080 -1.517988 ESP Fit Center 1047 is at 4.403912 -4.205235 -1.517988 ESP Fit Center 1048 is at 4.698896 -3.887317 -1.517988 ESP Fit Center 1049 is at 4.887067 -3.496576 -1.517988 ESP Fit Center 1050 is at 4.684722 -3.067730 -1.865927 ESP Fit Center 1051 is at 4.604503 -2.638597 -1.865927 ESP Fit Center 1052 is at 4.374680 -2.267421 -1.865927 ESP Fit Center 1053 is at 2.780889 -4.015726 -1.865927 ESP Fit Center 1054 is at 3.171688 -4.210321 -1.865927 ESP Fit Center 1055 is at 3.606392 -4.250602 -1.865927 ESP Fit Center 1056 is at 4.026293 -4.131130 -1.865927 ESP Fit Center 1057 is at 4.374680 -3.868040 -1.865927 ESP Fit Center 1058 is at 4.604503 -3.496863 -1.865927 ESP Fit Center 1059 is at 4.336783 -3.067730 -2.132911 ESP Fit Center 1060 is at 4.224244 -2.647730 -2.132911 ESP Fit Center 1061 is at 3.076783 -3.795192 -2.132911 ESP Fit Center 1062 is at 3.496783 -3.907730 -2.132911 ESP Fit Center 1063 is at 3.916783 -3.795192 -2.132911 ESP Fit Center 1064 is at 4.224244 -3.487730 -2.132911 ESP Fit Center 1065 is at 3.931599 -3.067730 -2.300743 ESP Fit Center 1066 is at 3.714191 -2.691169 -2.300743 ESP Fit Center 1067 is at 3.279375 -3.444292 -2.300743 ESP Fit Center 1068 is at 3.714191 -3.444292 -2.300743 ESP Fit Center 1069 is at 3.496783 -3.067730 -2.357988 ESP Fit Center 1070 is at -2.215094 -3.543550 -0.799173 ESP Fit Center 1071 is at -1.798887 -3.522443 -0.799173 ESP Fit Center 1072 is at -2.424656 -3.401133 -1.193119 ESP Fit Center 1073 is at -2.005737 -3.423846 -1.193119 ESP Fit Center 1074 is at -1.591730 -3.355973 -1.193119 ESP Fit Center 1075 is at -2.727635 -0.135810 -1.874408 ESP Fit Center 1076 is at -3.083193 -0.364314 -1.874408 ESP Fit Center 1077 is at -3.102721 -0.872358 -2.135570 ESP Fit Center 1078 is at -3.393312 -1.527798 1.726347 ESP Fit Center 1079 is at -2.794522 -1.882599 1.606845 ESP Fit Center 1080 is at -2.902189 -1.480782 1.606845 ESP Fit Center 1081 is at -3.196340 -1.186631 1.606845 ESP Fit Center 1082 is at -5.399004 -2.882151 0.076388 ESP Fit Center 1083 is at -5.344243 -3.049297 -0.333302 ESP Fit Center 1084 is at -5.083081 -3.367524 -0.333302 ESP Fit Center 1085 is at -2.431460 -3.628686 -0.333302 ESP Fit Center 1086 is at -5.399004 -2.882151 -0.742992 ESP Fit Center 1087 is at -5.160933 -3.224198 -0.742992 ESP Fit Center 1088 is at -4.858881 -3.511320 -0.742992 ESP Fit Center 1089 is at -4.505215 -3.731762 -0.742992 ESP Fit Center 1090 is at -2.882830 -3.814040 -0.742992 ESP Fit Center 1091 is at -2.508677 -3.630509 -0.742992 ESP Fit Center 1092 is at -3.079113 -3.752028 -1.136937 ESP Fit Center 1093 is at -2.689376 -3.596743 -1.136937 ESP Fit Center 1094 is at -3.387690 -0.149244 -1.500000 ESP Fit Center 1095 is at -2.606267 -3.319600 -1.500000 ESP Fit Center 1096 is at -3.386830 -0.412789 -1.818226 ESP Fit Center 1097 is at -3.809484 -0.412789 -1.818226 ESP Fit Center 1098 is at -3.490508 -0.720879 -2.079388 ESP Fit Center 1099 is at -3.852004 -0.846718 2.032971 ESP Fit Center 1100 is at -3.488942 -0.846718 1.838910 ESP Fit Center 1101 is at -3.567726 -1.268178 1.838910 ESP Fit Center 1102 is at -6.318068 0.153532 0.896459 ESP Fit Center 1103 is at -6.494226 -0.227226 0.896459 ESP Fit Center 1104 is at -6.456486 0.152834 0.502513 ESP Fit Center 1105 is at -6.620831 -0.230135 0.502513 ESP Fit Center 1106 is at -6.704721 -0.638347 0.502513 ESP Fit Center 1107 is at -6.401725 0.319979 0.092824 ESP Fit Center 1108 is at -6.595786 -1.650353 0.092824 ESP Fit Center 1109 is at -6.401725 -2.013416 0.092824 ESP Fit Center 1110 is at -6.140563 -2.331642 0.092824 ESP Fit Center 1111 is at -5.822337 -2.592804 0.092824 ESP Fit Center 1112 is at -5.459274 -2.786865 0.092824 ESP Fit Center 1113 is at -6.218415 -2.188317 -0.316866 ESP Fit Center 1114 is at -5.916363 -2.475439 -0.316866 ESP Fit 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ESP Fit Center 1511 is at -5.143877 -1.135355 -2.355499 ESP Fit Center 1512 is at -5.361285 -0.758794 -2.412744 ESP Fit Center 1513 is at -5.164370 -1.258393 2.644865 ESP Fit Center 1514 is at -4.729554 -1.258393 2.587620 ESP Fit Center 1515 is at -4.946962 -0.881831 2.587620 ESP Fit Center 1516 is at -5.381778 -0.881831 2.587620 ESP Fit Center 1517 is at -5.599186 -1.258393 2.587620 ESP Fit Center 1518 is at -5.381778 -1.634955 2.587620 ESP Fit Center 1519 is at -4.946962 -1.634955 2.587620 ESP Fit Center 1520 is at -4.324370 -1.258393 2.419787 ESP Fit Center 1521 is at -4.436909 -0.838393 2.419787 ESP Fit Center 1522 is at -5.584370 -0.530932 2.419787 ESP Fit Center 1523 is at -5.891832 -0.838393 2.419787 ESP Fit Center 1524 is at -6.004370 -1.258393 2.419787 ESP Fit Center 1525 is at -5.891832 -1.678393 2.419787 ESP Fit Center 1526 is at -5.584370 -1.985854 2.419787 ESP Fit Center 1527 is at -5.164370 -2.098393 2.419787 ESP Fit Center 1528 is at -4.744370 -1.985854 2.419787 ESP Fit Center 1529 is at -4.436909 -1.678393 2.419787 ESP Fit Center 1530 is at -3.976431 -1.258393 2.152804 ESP Fit Center 1531 is at -4.056650 -0.829260 2.152804 ESP Fit Center 1532 is at -5.880264 -0.310397 2.152804 ESP Fit Center 1533 is at -6.174377 -0.633023 2.152804 ESP Fit Center 1534 is at -6.332083 -1.040110 2.152804 ESP Fit Center 1535 is at -6.332083 -1.476676 2.152804 ESP Fit Center 1536 is at -6.174377 -1.883762 2.152804 ESP Fit Center 1537 is at -5.880264 -2.206389 2.152804 ESP Fit Center 1538 is at -5.489465 -2.400983 2.152804 ESP Fit Center 1539 is at -5.054761 -2.441265 2.152804 ESP Fit Center 1540 is at -4.634860 -2.321793 2.152804 ESP Fit Center 1541 is at -4.286472 -2.058702 2.152804 ESP Fit Center 1542 is at -4.056650 -1.687526 2.152804 ESP Fit Center 1543 is at -6.230904 -0.268794 1.804865 ESP Fit Center 1544 is at -6.475210 -0.627126 1.804865 ESP Fit Center 1545 is at -6.603043 -1.041548 1.804865 ESP Fit Center 1546 is at -6.603043 -1.475238 1.804865 ESP Fit Center 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Fit Center 1602 is at -6.114209 2.245031 -0.210551 ESP Fit Center 1603 is at -6.317084 1.876001 -0.210551 ESP Fit Center 1604 is at -6.421813 1.468112 -0.210551 ESP Fit Center 1605 is at -6.421813 1.046992 -0.210551 ESP Fit Center 1606 is at -6.317084 0.639103 -0.210551 ESP Fit Center 1607 is at -4.335060 2.825013 -0.645367 ESP Fit Center 1608 is at -4.755060 2.880307 -0.645367 ESP Fit Center 1609 is at -5.175060 2.825013 -0.645367 ESP Fit Center 1610 is at -5.566438 2.662899 -0.645367 ESP Fit Center 1611 is at -5.902521 2.405013 -0.645367 ESP Fit Center 1612 is at -6.160407 2.068930 -0.645367 ESP Fit Center 1613 is at -6.322521 1.677552 -0.645367 ESP Fit Center 1614 is at -6.377815 1.257552 -0.645367 ESP Fit Center 1615 is at -6.322521 0.837552 -0.645367 ESP Fit Center 1616 is at -4.223517 2.611901 -1.050551 ESP Fit Center 1617 is at -4.646333 2.708406 -1.050551 ESP Fit Center 1618 is at -5.078811 2.675997 -1.050551 ESP Fit Center 1619 is at -5.482521 2.517552 -1.050551 ESP Fit Center 1620 is at -5.821594 2.247151 -1.050551 ESP Fit Center 1621 is at -6.065900 1.888819 -1.050551 ESP Fit Center 1622 is at -6.193732 1.474397 -1.050551 ESP Fit Center 1623 is at -6.193732 1.040707 -1.050551 ESP Fit Center 1624 is at -4.225550 2.320952 -1.398490 ESP Fit Center 1625 is at -4.645451 2.440424 -1.398490 ESP Fit Center 1626 is at -5.080155 2.400142 -1.398490 ESP Fit Center 1627 is at -5.470953 2.205548 -1.398490 ESP Fit Center 1628 is at -5.765066 1.882921 -1.398490 ESP Fit Center 1629 is at -5.922772 1.475835 -1.398490 ESP Fit Center 1630 is at -5.922772 1.039269 -1.398490 ESP Fit Center 1631 is at -3.915060 1.257552 -1.665473 ESP Fit Center 1632 is at -4.027599 1.677552 -1.665473 ESP Fit Center 1633 is at -4.335060 1.985013 -1.665473 ESP Fit Center 1634 is at -4.755060 2.097552 -1.665473 ESP Fit Center 1635 is at -5.175060 1.985013 -1.665473 ESP Fit Center 1636 is at -5.482521 1.677552 -1.665473 ESP Fit Center 1637 is at -5.595060 1.257552 -1.665473 ESP Fit Center 1638 is at 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2.941981 ESP Fit Center 1657 is at -4.138145 1.485414 2.941981 ESP Fit Center 1658 is at -4.558145 1.597953 2.941981 ESP Fit Center 1659 is at -4.978145 1.485414 2.941981 ESP Fit Center 1660 is at -5.285606 1.177953 2.941981 ESP Fit Center 1661 is at -5.398145 0.757953 2.941981 ESP Fit Center 1662 is at -5.285606 0.337953 2.941981 ESP Fit Center 1663 is at -4.978145 0.030491 2.941981 ESP Fit Center 1664 is at -4.558145 -0.082047 2.941981 ESP Fit Center 1665 is at -4.138145 0.030491 2.941981 ESP Fit Center 1666 is at -3.830684 0.337953 2.941981 ESP Fit Center 1667 is at -3.680247 1.558262 2.674997 ESP Fit Center 1668 is at -4.028635 1.821352 2.674997 ESP Fit Center 1669 is at -4.448536 1.940824 2.674997 ESP Fit Center 1670 is at -4.883240 1.900543 2.674997 ESP Fit Center 1671 is at -5.274038 1.705949 2.674997 ESP Fit Center 1672 is at -5.568151 1.383322 2.674997 ESP Fit Center 1673 is at -5.725857 0.976236 2.674997 ESP Fit Center 1674 is at -5.725857 0.539669 2.674997 ESP Fit Center 1675 is at -5.568151 0.132583 2.674997 ESP Fit Center 1676 is at -5.274038 -0.190044 2.674997 ESP Fit Center 1677 is at -4.883240 -0.384638 2.674997 ESP Fit Center 1678 is at -4.448536 -0.424919 2.674997 ESP Fit Center 1679 is at -4.028635 -0.305447 2.674997 ESP Fit Center 1680 is at -3.680247 -0.042357 2.674997 ESP Fit Center 1681 is at -3.450424 0.328819 2.674997 ESP Fit Center 1682 is at -4.026602 2.112302 2.327058 ESP Fit Center 1683 is at -4.449418 2.208807 2.327058 ESP Fit Center 1684 is at -4.881896 2.176397 2.327058 ESP Fit Center 1685 is at -5.285606 2.017953 2.327058 ESP Fit Center 1686 is at -5.624679 1.747551 2.327058 ESP Fit Center 1687 is at -5.868985 1.389220 2.327058 ESP Fit Center 1688 is at -5.996817 0.974798 2.327058 ESP Fit Center 1689 is at -5.996817 0.541108 2.327058 ESP Fit Center 1690 is at -5.868985 0.126685 2.327058 ESP Fit Center 1691 is at -5.624679 -0.231646 2.327058 ESP Fit Center 1692 is at -4.026602 -0.596397 2.327058 ESP Fit Center 1693 is at -3.651015 -0.379552 2.327058 ESP Fit Center 1694 is at -3.356031 -0.061635 2.327058 ESP Fit Center 1695 is at -4.138145 2.325414 1.921874 ESP Fit Center 1696 is at -4.558145 2.380708 1.921874 ESP Fit Center 1697 is at -4.978145 2.325414 1.921874 ESP Fit Center 1698 is at -5.369523 2.163300 1.921874 ESP Fit Center 1699 is at -5.705606 1.905414 1.921874 ESP Fit Center 1700 is at -5.963492 1.569330 1.921874 ESP Fit Center 1701 is at -6.125606 1.177953 1.921874 ESP Fit Center 1702 is at -6.180900 0.757953 1.921874 ESP Fit Center 1703 is at -6.125606 0.337953 1.921874 ESP Fit Center 1704 is at -5.963492 -0.053425 1.921874 ESP Fit Center 1705 is at -4.452657 2.434637 1.487058 ESP Fit Center 1706 is at -4.872945 2.408195 1.487058 ESP Fit Center 1707 is at -5.273454 2.278062 1.487058 ESP Fit Center 1708 is at -5.629017 2.052415 1.487058 ESP Fit Center 1709 is at -5.917293 1.745432 1.487058 ESP Fit Center 1710 is at -6.120169 1.376402 1.487058 ESP Fit Center 1711 is at -6.224898 0.968512 1.487058 ESP Fit Center 1712 is at -6.224898 0.547393 1.487058 ESP Fit Center 1713 is at -6.120169 0.139503 1.487058 ESP Fit Center 1714 is at -2.551232 3.265520 0.550775 ESP Fit Center 1715 is at -2.983710 3.233110 0.550775 ESP Fit Center 1716 is at -3.387420 3.074666 0.550775 ESP Fit Center 1717 is at -2.659959 3.437421 0.145591 ESP Fit Center 1718 is at -3.079959 3.382127 0.145591 ESP Fit Center 1719 is at -3.471337 3.220013 0.145591 ESP Fit Center 1720 is at -3.807420 2.962127 0.145591 ESP Fit Center 1721 is at -2.554471 3.491351 -0.289225 ESP Fit Center 1722 is at -2.974760 3.464908 -0.289225 ESP Fit Center 1723 is at -3.375268 3.334775 -0.289225 ESP Fit Center 1724 is at -3.730831 3.109128 -0.289225 ESP Fit Center 1725 is at -4.019107 2.802145 -0.289225 ESP Fit Center 1726 is at -2.659959 3.437421 -0.724041 ESP Fit Center 1727 is at -3.079959 3.382127 -0.724041 ESP Fit Center 1728 is at -3.471337 3.220013 -0.724041 ESP Fit Center 1729 is at -3.807420 2.962127 -0.724041 ESP Fit Center 1730 is at -2.551232 3.265520 -1.129225 ESP Fit Center 1731 is at -2.983710 3.233110 -1.129225 ESP Fit Center 1732 is at -3.387420 3.074666 -1.129225 ESP Fit Center 1733 is at -3.726493 2.804265 -1.129225 ESP Fit Center 1734 is at -3.970799 2.445933 -1.129225 ESP Fit Center 1735 is at -2.550350 2.997538 -1.477164 ESP Fit Center 1736 is at -2.985054 2.957256 -1.477164 ESP Fit Center 1737 is at -3.375852 2.762662 -1.477164 ESP Fit Center 1738 is at -3.669965 2.440035 -1.477164 ESP Fit Center 1739 is at -3.827671 2.032949 -1.477164 ESP Fit Center 1740 is at -1.819959 1.814666 -1.744148 ESP Fit Center 1741 is at -1.932498 2.234666 -1.744148 ESP Fit Center 1742 is at -2.239959 2.542127 -1.744148 ESP Fit Center 1743 is at -2.659959 2.654666 -1.744148 ESP Fit Center 1744 is at -3.079959 2.542127 -1.744148 ESP Fit Center 1745 is at -3.387420 2.234666 -1.744148 ESP Fit Center 1746 is at -3.499959 1.814666 -1.744148 ESP Fit Center 1747 is at -3.387420 1.394666 -1.744148 ESP Fit Center 1748 is at -3.079959 1.087204 -1.744148 ESP Fit Center 1749 is at -2.659959 0.974666 -1.744148 ESP Fit Center 1750 is at -2.239959 1.087204 -1.744148 ESP Fit Center 1751 is at -1.932498 1.394666 -1.744148 ESP Fit Center 1752 is at -2.225143 1.814666 -1.911980 ESP Fit Center 1753 is at -2.442551 2.191227 -1.911980 ESP Fit Center 1754 is at -2.877367 2.191227 -1.911980 ESP Fit Center 1755 is at -3.094775 1.814666 -1.911980 ESP Fit Center 1756 is at -2.877367 1.438104 -1.911980 ESP Fit Center 1757 is at -2.442551 1.438104 -1.911980 ESP Fit Center 1758 is at -2.659959 1.814666 -1.969225 ESP Fit Center 1759 is at -2.463044 1.315066 3.088384 ESP Fit Center 1760 is at -2.028228 1.315066 3.031139 ESP Fit Center 1761 is at -2.245636 1.691628 3.031139 ESP Fit Center 1762 is at -2.680452 1.691628 3.031139 ESP Fit Center 1763 is at -2.897860 1.315066 3.031139 ESP Fit Center 1764 is at -2.680452 0.938505 3.031139 ESP Fit Center 1765 is at -2.245636 0.938505 3.031139 ESP Fit Center 1766 is at -1.623044 1.315066 2.863306 ESP Fit Center 1767 is at -1.735582 1.735066 2.863306 ESP Fit Center 1768 is at -2.043044 2.042528 2.863306 ESP Fit Center 1769 is at -2.463044 2.155066 2.863306 ESP Fit Center 1770 is at -2.883044 2.042528 2.863306 ESP Fit Center 1771 is at -3.190505 1.735066 2.863306 ESP Fit Center 1772 is at -3.303044 1.315066 2.863306 ESP Fit Center 1773 is at -3.190505 0.895066 2.863306 ESP Fit Center 1774 is at -2.883044 0.587605 2.863306 ESP Fit Center 1775 is at -2.463044 0.475066 2.863306 ESP Fit Center 1776 is at -2.043044 0.587605 2.863306 ESP Fit Center 1777 is at -1.735582 0.895066 2.863306 ESP Fit Center 1778 is at -1.275104 1.315066 2.596323 ESP Fit Center 1779 is at -1.355323 1.744200 2.596323 ESP Fit Center 1780 is at -1.585146 2.115376 2.596323 ESP Fit Center 1781 is at -1.933534 2.378466 2.596323 ESP Fit Center 1782 is at -2.353435 2.497938 2.596323 ESP Fit Center 1783 is at -2.788139 2.457657 2.596323 ESP Fit Center 1784 is at -3.178937 2.263063 2.596323 ESP Fit Center 1785 is at -3.473050 1.940436 2.596323 ESP Fit Center 1786 is at -3.178937 0.367070 2.596323 ESP Fit Center 1787 is at -2.788139 0.172476 2.596323 ESP Fit Center 1788 is at -2.353435 0.132195 2.596323 ESP Fit Center 1789 is at -1.933534 0.251667 2.596323 ESP Fit Center 1790 is at -1.585146 0.514757 2.596323 ESP Fit Center 1791 is at -1.355323 0.885933 2.596323 ESP Fit Center 1792 is at -1.008121 1.315066 2.248384 ESP Fit Center 1793 is at -1.072759 1.743912 2.248384 ESP Fit Center 1794 is at -1.260930 2.134654 2.248384 ESP Fit Center 1795 is at -1.555914 2.452571 2.248384 ESP Fit Center 1796 is at -1.931501 2.669416 2.248384 ESP Fit Center 1797 is at -2.354317 2.765921 2.248384 ESP Fit Center 1798 is at -2.786795 2.733511 2.248384 ESP Fit Center 1799 is at -3.190505 2.575066 2.248384 ESP Fit Center 1800 is at -3.529578 2.304665 2.248384 ESP Fit Center 1801 is at -3.190505 0.055066 2.248384 ESP Fit Center 1802 is at -2.786795 -0.103378 2.248384 ESP Fit Center 1803 is at -1.072759 0.886220 2.248384 ESP Fit Center 1804 is at -0.840288 1.315066 1.843200 ESP Fit Center 1805 is at -0.895582 1.735066 1.843200 ESP Fit Center 1806 is at -1.057696 2.126444 1.843200 ESP Fit Center 1807 is at -1.315582 2.462528 1.843200 ESP Fit Center 1808 is at -1.651666 2.720414 1.843200 ESP Fit Center 1809 is at -2.043044 2.882528 1.843200 ESP Fit Center 1810 is at -2.463044 2.937822 1.843200 ESP Fit Center 1811 is at -2.883044 2.882528 1.843200 ESP Fit Center 1812 is at -3.274422 2.720414 1.843200 ESP Fit Center 1813 is at -3.610505 2.462528 1.843200 ESP Fit Center 1814 is at -1.943895 2.912841 1.408384 ESP Fit Center 1815 is at -2.357556 2.991751 1.408384 ESP Fit Center 1816 is at -2.777844 2.965309 1.408384 ESP Fit Center 1817 is at -3.178353 2.835176 1.408384 ESP Fit Center 1818 is at 3.010441 -0.783890 -2.464966 ESP Fit Center 1819 is at 3.218819 -1.144811 -2.501427 ESP Fit Center 1820 is at 3.771109 -1.435865 3.689415 ESP Fit Center 1821 is at 4.187865 -1.435865 3.652953 ESP Fit Center 1822 is at 3.979487 -1.074944 3.652953 ESP Fit Center 1823 is at 3.562731 -1.074944 3.652953 ESP Fit Center 1824 is at 3.979487 -1.796786 3.652953 ESP Fit Center 1825 is at 4.591957 -1.435865 3.544677 ESP Fit Center 1826 is at 3.360685 -0.724990 3.544677 ESP Fit Center 1827 is at 4.181533 -2.146741 3.544677 ESP Fit Center 1828 is at 4.481985 -1.846289 3.544677 ESP Fit Center 1829 is at 4.971109 -1.435865 3.367876 ESP Fit Center 1830 is at 3.171109 -0.396635 3.367876 ESP Fit Center 1831 is at 3.979487 -2.617634 3.367876 ESP Fit Center 1832 is at 4.371109 -2.475096 3.367876 ESP Fit Center 1833 is at 4.690362 -2.207210 3.367876 ESP Fit Center 1834 is at 4.898740 -1.846289 3.367876 ESP Fit Center 1835 is at 5.313799 -1.435865 3.127921 ESP Fit Center 1836 is at 2.881470 -0.175534 3.127921 ESP Fit Center 1837 is at 4.084979 -2.946289 3.127921 ESP Fit Center 1838 is at 4.480847 -2.805597 3.127921 ESP Fit Center 1839 is at 4.824077 -2.563319 3.127921 ESP Fit Center 1840 is at 5.089214 -2.237422 3.127921 ESP Fit Center 1841 is at 5.256592 -1.852078 3.127921 ESP Fit Center 1842 is at 5.609616 -1.435865 2.832105 ESP Fit Center 1843 is at 2.509449 -0.098584 2.832105 ESP Fit Center 1844 is at 4.090362 -3.246441 2.832105 ESP Fit Center 1845 is at 5.560059 -1.859854 2.832105 ESP Fit Center 1846 is at 5.849570 -1.435865 2.489415 ESP Fit Center 1847 is at 2.498871 0.207731 2.489415 ESP Fit Center 1848 is at 2.194060 -0.082013 2.489415 ESP Fit Center 1849 is at 5.985616 -1.009054 2.110263 ESP Fit Center 1850 is at 6.096665 -1.013839 1.706170 ESP Fit Center 1851 is at 3.245172 -3.740145 1.706170 ESP Fit Center 1852 is at 3.665069 -3.797024 1.706170 ESP Fit Center 1853 is at 6.134648 -1.019110 1.289415 ESP Fit Center 1854 is at 2.950261 -3.691127 1.289415 ESP Fit Center 1855 is at 3.354353 -3.799404 1.289415 ESP Fit Center 1856 is at 6.096665 -1.013839 0.872659 ESP Fit Center 1857 is at 5.983936 -0.605377 0.872659 ESP Fit Center 1858 is at 5.985616 -1.009054 0.468566 ESP Fit Center 1859 is at 5.864822 -0.597669 0.468566 ESP Fit Center 1860 is at 5.668356 -0.216578 0.468566 ESP Fit Center 1861 is at 5.807024 -1.017474 0.089415 ESP Fit Center 1862 is at 1.449478 -3.180152 1.031303 ESP Fit Center 1863 is at 1.730759 -3.504768 1.031303 ESP Fit Center 1864 is at 2.092101 -3.736989 1.031303 ESP Fit Center 1865 is at 2.504231 -3.858001 1.031303 ESP Fit Center 1866 is at 2.933759 -3.858001 1.031303 ESP Fit Center 1867 is at 1.225512 -3.346563 0.725825 ESP Fit Center 1868 is at 1.492298 -3.664506 0.725825 ESP Fit Center 1869 is at 1.825216 -3.912354 0.725825 ESP Fit Center 1870 is at 2.206317 -4.076745 0.725825 ESP Fit Center 1871 is at 2.615058 -4.148817 0.725825 ESP Fit Center 1872 is at 1.096782 -3.542890 0.374377 ESP Fit Center 1873 is at 1.377277 -3.854412 0.374377 ESP Fit Center 1874 is at 1.716412 -4.100808 0.374377 ESP Fit Center 1875 is at 2.099365 -4.271309 0.374377 ESP Fit Center 1876 is at 2.509398 -4.358464 0.374377 ESP Fit Center 1877 is at 0.927602 -3.561253 -0.011072 ESP Fit Center 1878 is at 1.195541 -3.887737 -0.011072 ESP Fit Center 1879 is at 1.522025 -4.155676 -0.011072 ESP Fit Center 1880 is at 1.894508 -4.354772 -0.011072 ESP Fit Center 1881 is at 2.298675 -4.477375 -0.011072 ESP Fit Center 1882 is at 0.965747 -3.743052 -0.417396 ESP Fit Center 1883 is at 1.258364 -4.049941 -0.417396 ESP Fit Center 1884 is at 1.603773 -4.295905 -0.417396 ESP Fit Center 1885 is at 1.989488 -4.472055 -0.417396 ESP Fit Center 1886 is at 0.736497 -3.386332 -0.830758 ESP Fit Center 1887 is at 0.965747 -3.743052 -0.830758 ESP Fit Center 1888 is at 1.258364 -4.049941 -0.830758 ESP Fit Center 1889 is at 1.603773 -4.295905 -0.830758 ESP Fit Center 1890 is at 1.989488 -4.472055 -0.830758 ESP Fit Center 1891 is at 0.728506 -3.188770 -1.237082 ESP Fit Center 1892 is at 0.927602 -3.561253 -1.237082 ESP Fit Center 1893 is at 1.195541 -3.887737 -1.237082 ESP Fit Center 1894 is at 1.522025 -4.155676 -1.237082 ESP Fit Center 1895 is at 1.894508 -4.354772 -1.237082 ESP Fit Center 1896 is at 2.298675 -4.477375 -1.237082 ESP Fit Center 1897 is at 0.757647 -2.781180 -1.622531 ESP Fit Center 1898 is at 0.887185 -3.179857 -1.622531 ESP Fit Center 1899 is at 1.096782 -3.542890 -1.622531 ESP Fit Center 1900 is at 1.377277 -3.854412 -1.622531 ESP Fit Center 1901 is at 1.716412 -4.100808 -1.622531 ESP Fit Center 1902 is at 2.099365 -4.271309 -1.622531 ESP Fit Center 1903 is at 0.943523 -2.156760 -1.973978 ESP Fit Center 1904 is at 0.943523 -2.571806 -1.973978 ESP Fit Center 1905 is at 1.039239 -2.975664 -1.973978 ESP Fit Center 1906 is at 1.225512 -3.346563 -1.973978 ESP Fit Center 1907 is at 1.492298 -3.664506 -1.973978 ESP Fit Center 1908 is at 1.825216 -3.912354 -1.973978 ESP Fit Center 1909 is at 2.206317 -4.076745 -1.973978 ESP Fit Center 1910 is at 4.166945 -1.939127 -2.279457 ESP Fit Center 1911 is at 1.730759 -1.223798 -2.279457 ESP Fit Center 1912 is at 1.449478 -1.548414 -2.279457 ESP Fit Center 1913 is at 1.271045 -1.939127 -2.279457 ESP Fit Center 1914 is at 1.209917 -2.364283 -2.279457 ESP Fit Center 1915 is at 1.271045 -2.789440 -2.279457 ESP Fit Center 1916 is at 1.449478 -3.180152 -2.279457 ESP Fit Center 1917 is at 1.730759 -3.504768 -2.279457 ESP Fit Center 1918 is at 2.092101 -3.736989 -2.279457 ESP Fit Center 1919 is at 2.504231 -3.858001 -2.279457 ESP Fit Center 1920 is at 3.898203 -2.364283 -2.528563 ESP Fit Center 1921 is at 3.818574 -1.938304 -2.528563 ESP Fit Center 1922 is at 3.590440 -1.569856 -2.528563 ESP Fit Center 1923 is at 3.244613 -1.308699 -2.528563 ESP Fit Center 1924 is at 2.827799 -1.190105 -2.528563 ESP Fit Center 1925 is at 2.396289 -1.230091 -2.528563 ESP Fit Center 1926 is at 2.008363 -1.423255 -2.528563 ESP Fit Center 1927 is at 1.716412 -1.743510 -2.528563 ESP Fit Center 1928 is at 1.559865 -2.147604 -2.528563 ESP Fit Center 1929 is at 1.559865 -2.580962 -2.528563 ESP Fit Center 1930 is at 1.716412 -2.985056 -2.528563 ESP Fit Center 1931 is at 2.008363 -3.305311 -2.528563 ESP Fit Center 1932 is at 2.396289 -3.498476 -2.528563 ESP Fit Center 1933 is at 2.827799 -3.538461 -2.528563 ESP Fit Center 1934 is at 3.528176 -2.364283 -2.712815 ESP Fit Center 1935 is at 3.419767 -1.959692 -2.712815 ESP Fit Center 1936 is at 3.123586 -1.663511 -2.712815 ESP Fit Center 1937 is at 2.718995 -1.555102 -2.712815 ESP Fit Center 1938 is at 2.314404 -1.663511 -2.712815 ESP Fit Center 1939 is at 2.018223 -1.959692 -2.712815 ESP Fit Center 1940 is at 1.909814 -2.364283 -2.712815 ESP Fit Center 1941 is at 2.018223 -2.768874 -2.712815 ESP Fit Center 1942 is at 2.314404 -3.065055 -2.712815 ESP Fit Center 1943 is at 2.718995 -3.173464 -2.712815 ESP Fit Center 1944 is at 3.123586 -3.065055 -2.712815 ESP Fit Center 1945 is at 3.419767 -2.768874 -2.712815 ESP Fit Center 1946 is at 3.130594 -2.364283 -2.825937 ESP Fit Center 1947 is at 2.924794 -2.007828 -2.825937 ESP Fit Center 1948 is at 2.513195 -2.007828 -2.825937 ESP Fit Center 1949 is at 2.307396 -2.364283 -2.825937 ESP Fit Center 1950 is at 2.513195 -2.720738 -2.825937 ESP Fit Center 1951 is at 2.924794 -2.720738 -2.825937 ESP Fit Center 1952 is at 2.718995 -2.364283 -2.864077 ESP Fit Center 1953 is at -0.785434 2.651102 2.075421 ESP Fit Center 1954 is at -0.373835 2.651102 2.037281 ESP Fit Center 1955 is at -0.579634 3.007557 2.037281 ESP Fit Center 1956 is at -0.991233 3.007557 2.037281 ESP Fit Center 1957 is at -1.197033 2.651102 2.037281 ESP Fit Center 1958 is at -0.084662 3.055693 1.924159 ESP Fit Center 1959 is at -0.380843 3.351873 1.924159 ESP Fit Center 1960 is at -0.785434 3.460283 1.924159 ESP Fit Center 1961 is at -1.190025 3.351873 1.924159 ESP Fit Center 1962 is at -1.486206 3.055693 1.924159 ESP Fit Center 1963 is at 0.086011 3.445529 1.739908 ESP Fit Center 1964 is at -0.259816 3.706686 1.739908 ESP Fit Center 1965 is at -0.676630 3.825280 1.739908 ESP Fit Center 1966 is at -1.108140 3.785294 1.739908 ESP Fit Center 1967 is at -1.496066 3.592130 1.739908 ESP Fit Center 1968 is at -1.788017 3.271875 1.739908 ESP Fit Center 1969 is at 0.202802 3.791587 1.490801 ESP Fit Center 1970 is at -0.158540 4.023808 1.490801 ESP Fit Center 1971 is at -0.570670 4.144820 1.490801 ESP Fit Center 1972 is at -1.000198 4.144820 1.490801 ESP Fit Center 1973 is at -1.412328 4.023808 1.490801 ESP Fit Center 1974 is at -1.773670 3.791587 1.490801 ESP Fit Center 1975 is at -2.054951 3.466971 1.490801 ESP Fit Center 1976 is at 0.282022 4.084944 1.185323 ESP Fit Center 1977 is at -0.077418 4.292467 1.185323 ESP Fit Center 1978 is at -0.475028 4.411503 1.185323 ESP Fit Center 1979 is at -0.889371 4.435636 1.185323 ESP Fit Center 1980 is at -1.298112 4.363564 1.185323 ESP Fit Center 1981 is at -1.679213 4.199173 1.185323 ESP Fit Center 1982 is at -2.012131 3.951325 1.185323 ESP Fit Center 1983 is at -2.278917 3.633381 1.185323 ESP Fit Center 1984 is at -2.465190 3.262483 1.185323 ESP Fit Center 1985 is at 0.217149 4.387626 0.833875 ESP Fit Center 1986 is at -0.165804 4.558128 0.833875 ESP Fit Center 1987 is at -0.575837 4.645283 0.833875 ESP Fit Center 1988 is at -0.995031 4.645283 0.833875 ESP Fit Center 1989 is at -1.405064 4.558128 0.833875 ESP Fit Center 1990 is at -1.788017 4.387626 0.833875 ESP Fit Center 1991 is at -2.127152 4.141230 0.833875 ESP Fit Center 1992 is at -2.407647 3.829709 0.833875 ESP Fit Center 1993 is at -2.617244 3.466676 0.833875 ESP Fit Center 1994 is at 0.411536 4.442494 0.448426 ESP Fit Center 1995 is at 0.039053 4.641591 0.448426 ESP Fit Center 1996 is at -0.365114 4.764193 0.448426 ESP Fit Center 1997 is at -0.785434 4.805591 0.448426 ESP Fit Center 1998 is at -1.205754 4.764193 0.448426 ESP Fit Center 1999 is at -1.609921 4.641591 0.448426 ESP Fit Center 2000 is at -1.982404 4.442494 0.448426 ESP Fit Center 2001 is at -2.308888 4.174556 0.448426 ESP Fit Center 2002 is at -2.576826 3.848072 0.448426 ESP Fit Center 2003 is at 0.141126 4.679986 0.042102 ESP Fit Center 2004 is at -0.259587 4.818674 0.042102 ESP Fit Center 2005 is at -0.679305 4.879020 0.042102 ESP Fit Center 2006 is at -1.102859 4.858844 0.042102 ESP Fit Center 2007 is at -1.514941 4.758874 0.042102 ESP Fit Center 2008 is at -1.900656 4.582723 0.042102 ESP Fit Center 2009 is at -2.246064 4.336759 0.042102 ESP Fit Center 2010 is at -2.538682 4.029871 0.042102 ESP Fit Center 2011 is at 0.141126 4.679986 -0.371260 ESP Fit Center 2012 is at -0.259587 4.818674 -0.371260 ESP Fit Center 2013 is at -0.679305 4.879020 -0.371260 ESP Fit Center 2014 is at -1.102859 4.858844 -0.371260 ESP Fit Center 2015 is at -1.514941 4.758874 -0.371260 ESP Fit Center 2016 is at -1.900656 4.582723 -0.371260 ESP Fit Center 2017 is at -2.246064 4.336759 -0.371260 ESP Fit Center 2018 is at -2.538682 4.029871 -0.371260 ESP Fit Center 2019 is at 0.039053 4.641591 -0.777584 ESP Fit Center 2020 is at -0.365114 4.764193 -0.777584 ESP Fit Center 2021 is at -0.785434 4.805591 -0.777584 ESP Fit Center 2022 is at -1.205754 4.764193 -0.777584 ESP Fit Center 2023 is at -1.609921 4.641591 -0.777584 ESP Fit Center 2024 is at -1.982404 4.442494 -0.777584 ESP Fit Center 2025 is at -2.308888 4.174556 -0.777584 ESP Fit Center 2026 is at -2.576826 3.848072 -0.777584 ESP Fit Center 2027 is at 0.217149 4.387626 -1.163033 ESP Fit Center 2028 is at -0.165804 4.558128 -1.163033 ESP Fit Center 2029 is at -0.575837 4.645283 -1.163033 ESP Fit Center 2030 is at -0.995031 4.645283 -1.163033 ESP Fit Center 2031 is at -1.405064 4.558128 -1.163033 ESP Fit Center 2032 is at -1.788017 4.387626 -1.163033 ESP Fit Center 2033 is at -2.127152 4.141230 -1.163033 ESP Fit Center 2034 is at -2.407647 3.829709 -1.163033 ESP Fit Center 2035 is at 0.282022 4.084944 -1.514480 ESP Fit Center 2036 is at -0.077418 4.292467 -1.514480 ESP Fit Center 2037 is at -0.475028 4.411503 -1.514480 ESP Fit Center 2038 is at -0.889371 4.435636 -1.514480 ESP Fit Center 2039 is at -1.298112 4.363564 -1.514480 ESP Fit Center 2040 is at -1.679213 4.199173 -1.514480 ESP Fit Center 2041 is at -2.012131 3.951325 -1.514480 ESP Fit Center 2042 is at -2.278917 3.633381 -1.514480 ESP Fit Center 2043 is at 0.202802 3.791587 -1.819959 ESP Fit Center 2044 is at -0.158540 4.023808 -1.819959 ESP Fit Center 2045 is at -0.570670 4.144820 -1.819959 ESP Fit Center 2046 is at -1.000198 4.144820 -1.819959 ESP Fit Center 2047 is at -1.412328 4.023808 -1.819959 ESP Fit Center 2048 is at -1.773670 3.791587 -1.819959 ESP Fit Center 2049 is at -2.054951 3.466971 -1.819959 ESP Fit Center 2050 is at -2.233384 3.076258 -1.819959 ESP Fit Center 2051 is at 0.086011 3.445529 -2.069065 ESP Fit Center 2052 is at -0.259816 3.706686 -2.069065 ESP Fit Center 2053 is at -0.676630 3.825280 -2.069065 ESP Fit Center 2054 is at -1.108140 3.785294 -2.069065 ESP Fit Center 2055 is at -1.496066 3.592130 -2.069065 ESP Fit Center 2056 is at -1.788017 3.271875 -2.069065 ESP Fit Center 2057 is at -1.944564 2.867781 -2.069065 ESP Fit Center 2058 is at -1.944564 2.434423 -2.069065 ESP Fit Center 2059 is at -1.788017 2.030329 -2.069065 ESP Fit Center 2060 is at -1.496066 1.710074 -2.069065 ESP Fit Center 2061 is at -0.084662 3.055693 -2.253317 ESP Fit Center 2062 is at -0.380843 3.351873 -2.253317 ESP Fit Center 2063 is at -0.785434 3.460283 -2.253317 ESP Fit Center 2064 is at -1.190025 3.351873 -2.253317 ESP Fit Center 2065 is at -1.486206 3.055693 -2.253317 ESP Fit Center 2066 is at -1.594615 2.651102 -2.253317 ESP Fit Center 2067 is at -1.486206 2.246511 -2.253317 ESP Fit Center 2068 is at -1.190025 1.950330 -2.253317 ESP Fit Center 2069 is at -0.373835 2.651102 -2.366438 ESP Fit Center 2070 is at -0.579634 3.007557 -2.366438 ESP Fit Center 2071 is at -0.991233 3.007557 -2.366438 ESP Fit Center 2072 is at -1.197033 2.651102 -2.366438 ESP Fit Center 2073 is at -0.991233 2.294647 -2.366438 ESP Fit Center 2074 is at -0.785434 2.651102 -2.404579 ESP Fit Center 2075 is at 0.069879 1.759783 2.249585 ESP Fit Center 2076 is at 0.486635 1.759783 2.213123 ESP Fit Center 2077 is at 0.278257 2.120704 2.213123 ESP Fit Center 2078 is at -0.138499 2.120704 2.213123 ESP Fit Center 2079 is at -0.346877 1.759783 2.213123 ESP Fit Center 2080 is at -0.138499 1.398862 2.213123 ESP Fit Center 2081 is at 0.278257 1.398862 2.213123 ESP Fit Center 2082 is at 0.480303 2.470659 2.104847 ESP Fit Center 2083 is at 0.069879 2.580631 2.104847 ESP Fit Center 2084 is at -0.340545 2.470659 2.104847 ESP Fit Center 2085 is at -0.640996 2.170207 2.104847 ESP Fit Center 2086 is at -0.640996 1.349359 2.104847 ESP Fit Center 2087 is at 0.780755 1.349359 2.104847 ESP Fit Center 2088 is at 0.278257 2.941552 1.928046 ESP Fit Center 2089 is at 0.989132 0.988438 1.928046 ESP Fit Center 2090 is at 0.383749 3.270207 1.688091 ESP Fit Center 2091 is at 0.278257 2.941552 -2.228876 ESP Fit Center 2092 is at -1.130121 1.759783 -2.228876 ESP Fit Center 2093 is at -1.057752 1.349359 -2.228876 ESP Fit Center 2094 is at 0.480303 2.470659 -2.405678 ESP Fit Center 2095 is at 0.069879 2.580631 -2.405678 ESP Fit Center 2096 is at -0.340545 2.470659 -2.405678 ESP Fit Center 2097 is at -0.640996 2.170207 -2.405678 ESP Fit Center 2098 is at -0.750969 1.759783 -2.405678 ESP Fit Center 2099 is at -0.640996 1.349359 -2.405678 ESP Fit Center 2100 is at -0.340545 1.048908 -2.405678 ESP Fit Center 2101 is at 0.069879 0.938935 -2.405678 ESP Fit Center 2102 is at 0.480303 1.048908 -2.405678 ESP Fit Center 2103 is at 0.780755 1.349359 -2.405678 ESP Fit Center 2104 is at 0.486635 1.759783 -2.513954 ESP Fit Center 2105 is at 0.278257 2.120704 -2.513954 ESP Fit Center 2106 is at -0.138499 2.120704 -2.513954 ESP Fit Center 2107 is at -0.346877 1.759783 -2.513954 ESP Fit Center 2108 is at -0.138499 1.398862 -2.513954 ESP Fit Center 2109 is at 0.278257 1.398862 -2.513954 ESP Fit Center 2110 is at 0.069879 1.759783 -2.550415 ESP Fit Center 2111 is at 1.411788 2.071848 2.203608 ESP Fit Center 2112 is at 1.828543 2.071848 2.167147 ESP Fit Center 2113 is at 1.620165 2.432769 2.167147 ESP Fit Center 2114 is at 1.203410 2.432769 2.167147 ESP Fit Center 2115 is at 0.995032 2.071848 2.167147 ESP Fit Center 2116 is at 1.203410 1.710928 2.167147 ESP Fit Center 2117 is at 1.620165 1.710928 2.167147 ESP Fit Center 2118 is at 2.232636 2.071848 2.058871 ESP Fit Center 2119 is at 2.122663 2.482273 2.058871 ESP Fit Center 2120 is at 1.822212 2.782724 2.058871 ESP Fit Center 2121 is at 1.411788 2.892697 2.058871 ESP Fit Center 2122 is at 1.001363 2.782724 2.058871 ESP Fit Center 2123 is at 0.700912 2.482273 2.058871 ESP Fit Center 2124 is at 1.001363 1.360973 2.058871 ESP Fit Center 2125 is at 1.411788 1.251000 2.058871 ESP Fit Center 2126 is at 2.539419 2.482273 1.882069 ESP Fit Center 2127 is at 2.331041 2.843194 1.882069 ESP Fit Center 2128 is at 2.011788 3.111079 1.882069 ESP Fit Center 2129 is at 1.620165 3.253618 1.882069 ESP Fit Center 2130 is at 1.203410 3.253618 1.882069 ESP Fit Center 2131 is at 0.811788 3.111079 1.882069 ESP Fit Center 2132 is at 1.203410 0.890079 1.882069 ESP Fit Center 2133 is at 2.729892 2.873406 1.642115 ESP Fit Center 2134 is at 2.464756 3.199302 1.642115 ESP Fit Center 2135 is at 2.121525 3.441580 1.642115 ESP Fit Center 2136 is at 1.725657 3.582272 1.642115 ESP Fit Center 2137 is at 1.306511 3.610942 1.642115 ESP Fit Center 2138 is at 0.895172 3.525465 1.642115 ESP Fit Center 2139 is at 0.522149 3.332180 1.642115 ESP Fit Center 2140 is at 2.820165 3.253618 1.346299 ESP Fit Center 2141 is at 0.492534 3.664042 -1.739082 ESP Fit Center 2142 is at 2.729892 2.873406 -2.034898 ESP Fit Center 2143 is at 2.464756 3.199302 -2.034898 ESP Fit Center 2144 is at 0.895172 3.525465 -2.034898 ESP Fit Center 2145 is at 0.522149 3.332180 -2.034898 ESP Fit Center 2146 is at 2.539419 2.482273 -2.274853 ESP Fit Center 2147 is at 2.331041 2.843194 -2.274853 ESP Fit Center 2148 is at 2.011788 3.111079 -2.274853 ESP Fit Center 2149 is at 1.620165 3.253618 -2.274853 ESP Fit Center 2150 is at 1.203410 3.253618 -2.274853 ESP Fit Center 2151 is at 0.811788 3.111079 -2.274853 ESP Fit Center 2152 is at 0.492534 2.843194 -2.274853 ESP Fit Center 2153 is at 1.203410 0.890079 -2.274853 ESP Fit Center 2154 is at 2.232636 2.071848 -2.451654 ESP Fit Center 2155 is at 2.122663 2.482273 -2.451654 ESP Fit Center 2156 is at 1.822212 2.782724 -2.451654 ESP Fit Center 2157 is at 1.411788 2.892697 -2.451654 ESP Fit Center 2158 is at 1.001363 2.782724 -2.451654 ESP Fit Center 2159 is at 0.700912 2.482273 -2.451654 ESP Fit Center 2160 is at 1.001363 1.360973 -2.451654 ESP Fit Center 2161 is at 1.411788 1.251000 -2.451654 ESP Fit Center 2162 is at 1.828543 2.071848 -2.559930 ESP Fit Center 2163 is at 1.620165 2.432769 -2.559930 ESP Fit Center 2164 is at 1.203410 2.432769 -2.559930 ESP Fit Center 2165 is at 0.995032 2.071848 -2.559930 ESP Fit Center 2166 is at 1.203410 1.710928 -2.559930 ESP Fit Center 2167 is at 1.620165 1.710928 -2.559930 ESP Fit Center 2168 is at 1.411788 2.071848 -2.596392 ESP Fit Center 2169 is at 2.469054 1.176705 2.217549 ESP Fit Center 2170 is at 2.885810 1.176705 2.181087 ESP Fit Center 2171 is at 2.677432 1.537626 2.181087 ESP Fit Center 2172 is at 2.260677 1.537626 2.181087 ESP Fit Center 2173 is at 2.052299 1.176705 2.181087 ESP Fit Center 2174 is at 2.260677 0.815784 2.181087 ESP Fit Center 2175 is at 2.677432 0.815784 2.181087 ESP Fit Center 2176 is at 3.289903 1.176705 2.072811 ESP Fit Center 2177 is at 3.179930 1.587129 2.072811 ESP Fit Center 2178 is at 2.879479 1.887580 2.072811 ESP Fit Center 2179 is at 2.469054 1.997553 2.072811 ESP Fit Center 2180 is at 1.648206 1.176705 2.072811 ESP Fit Center 2181 is at 3.069054 2.215935 1.896010 ESP Fit Center 2182 is at 2.677432 2.358474 1.896010 ESP Fit Center 2183 is at 2.677432 2.358474 -2.260912 ESP Fit Center 2184 is at 1.341423 0.766280 -2.260912 ESP Fit Center 2185 is at 3.388308 0.405359 -2.260912 ESP Fit Center 2186 is at 3.289903 1.176705 -2.437714 ESP Fit Center 2187 is at 3.179930 1.587129 -2.437714 ESP Fit Center 2188 is at 2.879479 1.887580 -2.437714 ESP Fit Center 2189 is at 2.469054 1.997553 -2.437714 ESP Fit Center 2190 is at 1.648206 1.176705 -2.437714 ESP Fit Center 2191 is at 1.758179 0.766280 -2.437714 ESP Fit Center 2192 is at 2.879479 0.465829 -2.437714 ESP Fit Center 2193 is at 3.179930 0.766280 -2.437714 ESP Fit Center 2194 is at 2.885810 1.176705 -2.545990 ESP Fit Center 2195 is at 2.677432 1.537626 -2.545990 ESP Fit Center 2196 is at 2.260677 1.537626 -2.545990 ESP Fit Center 2197 is at 2.052299 1.176705 -2.545990 ESP Fit Center 2198 is at 2.260677 0.815784 -2.545990 ESP Fit Center 2199 is at 2.677432 0.815784 -2.545990 ESP Fit Center 2200 is at 2.469054 1.176705 -2.582451 ESP Fit Center 2201 is at 3.624919 1.553726 2.008348 ESP Fit Center 2202 is at 4.036518 1.553726 1.970208 ESP Fit Center 2203 is at 3.830719 1.910181 1.970208 ESP Fit Center 2204 is at 3.419120 1.910181 1.970208 ESP Fit Center 2205 is at 4.434100 1.553726 1.857086 ESP Fit Center 2206 is at 4.325691 1.958317 1.857086 ESP Fit Center 2207 is at 4.029510 2.254498 1.857086 ESP Fit Center 2208 is at 3.624919 2.362907 1.857086 ESP Fit Center 2209 is at 3.220328 2.254498 1.857086 ESP Fit Center 2210 is at 4.804127 1.553726 1.672835 ESP Fit Center 2211 is at 4.724498 1.979705 1.672835 ESP Fit Center 2212 is at 4.496364 2.348153 1.672835 ESP Fit Center 2213 is at 4.150537 2.609310 1.672835 ESP Fit Center 2214 is at 3.733723 2.727904 1.672835 ESP Fit Center 2215 is at 3.302213 2.687919 1.672835 ESP Fit Center 2216 is at 5.133997 1.553726 1.423728 ESP Fit Center 2217 is at 5.072869 1.978883 1.423728 ESP Fit Center 2218 is at 4.894436 2.369595 1.423728 ESP Fit Center 2219 is at 4.613155 2.694211 1.423728 ESP Fit Center 2220 is at 4.251813 2.926432 1.423728 ESP Fit Center 2221 is at 3.839683 3.047444 1.423728 ESP Fit Center 2222 is at 3.410155 3.047444 1.423728 ESP Fit Center 2223 is at 2.998025 2.926432 1.423728 ESP Fit Center 2224 is at 5.412478 1.553726 1.118250 ESP Fit Center 2225 is at 5.364294 1.965965 1.118250 ESP Fit Center 2226 is at 5.222340 2.355981 1.118250 ESP Fit Center 2227 is at 4.994268 2.702747 1.118250 ESP Fit Center 2228 is at 4.692375 2.987568 1.118250 ESP Fit Center 2229 is at 4.332935 3.195091 1.118250 ESP Fit Center 2230 is at 3.935325 3.314128 1.118250 ESP Fit Center 2231 is at 3.520982 3.338260 1.118250 ESP Fit Center 2232 is at 3.112242 3.266188 1.118250 ESP Fit Center 2233 is at 5.364294 1.141487 1.118250 ESP Fit Center 2234 is at 5.630085 1.553726 0.766802 ESP Fit Center 2235 is at 5.586267 1.970623 0.766802 ESP Fit Center 2236 is at 5.456729 2.369300 0.766802 ESP Fit Center 2237 is at 5.247132 2.732333 0.766802 ESP Fit Center 2238 is at 4.966637 3.043855 0.766802 ESP Fit Center 2239 is at 4.627502 3.290251 0.766802 ESP Fit Center 2240 is at 4.244549 3.460752 0.766802 ESP Fit Center 2241 is at 3.834516 3.547907 0.766802 ESP Fit Center 2242 is at 3.415322 3.547907 0.766802 ESP Fit Center 2243 is at 5.456729 0.738152 0.766802 ESP Fit Center 2244 is at 5.586267 1.136829 0.766802 ESP Fit Center 2245 is at 5.779409 1.553726 0.381354 ESP Fit Center 2246 is at 5.738011 1.974046 0.381354 ESP Fit Center 2247 is at 5.615408 2.378214 0.381354 ESP Fit Center 2248 is at 5.416312 2.750696 0.381354 ESP Fit Center 2249 is at 5.148373 3.077180 0.381354 ESP Fit Center 2250 is at 4.821889 3.345119 0.381354 ESP Fit Center 2251 is at 4.449407 3.544215 0.381354 ESP Fit Center 2252 is at 4.045239 3.666818 0.381354 ESP Fit Center 2253 is at 3.624919 3.708216 0.381354 ESP Fit Center 2254 is at 5.416312 0.356756 0.381354 ESP Fit Center 2255 is at 5.615408 0.729239 0.381354 ESP Fit Center 2256 is at 5.738011 1.133406 0.381354 ESP Fit Center 2257 is at 5.855364 1.553726 -0.024970 ESP Fit Center 2258 is at 5.815057 1.975841 -0.024970 ESP Fit Center 2259 is at 5.695592 2.382699 -0.024970 ESP Fit Center 2260 is at 5.501288 2.759595 -0.024970 ESP Fit Center 2261 is at 5.239168 3.092909 -0.024970 ESP Fit Center 2262 is at 4.918704 3.370593 -0.024970 ESP Fit Center 2263 is at 4.551479 3.582610 -0.024970 ESP Fit Center 2264 is at 4.150766 3.721298 -0.024970 ESP Fit Center 2265 is at 3.731048 3.781644 -0.024970 ESP Fit Center 2266 is at 5.501288 0.347857 -0.024970 ESP Fit Center 2267 is at 5.695592 0.724754 -0.024970 ESP Fit Center 2268 is at 5.815057 1.131612 -0.024970 ESP Fit Center 2269 is at 5.855364 1.553726 -0.438333 ESP Fit Center 2270 is at 5.815057 1.975841 -0.438333 ESP Fit Center 2271 is at 5.695592 2.382699 -0.438333 ESP Fit Center 2272 is at 5.501288 2.759595 -0.438333 ESP Fit Center 2273 is at 5.239168 3.092909 -0.438333 ESP Fit Center 2274 is at 4.918704 3.370593 -0.438333 ESP Fit Center 2275 is at 4.551479 3.582610 -0.438333 ESP Fit Center 2276 is at 4.150766 3.721298 -0.438333 ESP Fit Center 2277 is at 3.731048 3.781644 -0.438333 ESP Fit Center 2278 is at 5.695592 0.724754 -0.438333 ESP Fit Center 2279 is at 5.815057 1.131612 -0.438333 ESP Fit Center 2280 is at 5.779409 1.553726 -0.844657 ESP Fit Center 2281 is at 5.738011 1.974046 -0.844657 ESP Fit Center 2282 is at 5.615408 2.378214 -0.844657 ESP Fit Center 2283 is at 5.416312 2.750696 -0.844657 ESP Fit Center 2284 is at 5.148373 3.077180 -0.844657 ESP Fit Center 2285 is at 4.821889 3.345119 -0.844657 ESP Fit Center 2286 is at 4.449407 3.544215 -0.844657 ESP Fit Center 2287 is at 4.045239 3.666818 -0.844657 ESP Fit Center 2288 is at 3.624919 3.708216 -0.844657 ESP Fit Center 2289 is at 5.615408 0.729239 -0.844657 ESP Fit Center 2290 is at 5.738011 1.133406 -0.844657 ESP Fit Center 2291 is at 5.630085 1.553726 -1.230105 ESP Fit Center 2292 is at 5.586267 1.970623 -1.230105 ESP Fit Center 2293 is at 5.456729 2.369300 -1.230105 ESP Fit Center 2294 is at 5.247132 2.732333 -1.230105 ESP Fit Center 2295 is at 4.966637 3.043855 -1.230105 ESP Fit Center 2296 is at 4.627502 3.290251 -1.230105 ESP Fit Center 2297 is at 4.244549 3.460752 -1.230105 ESP Fit Center 2298 is at 3.834516 3.547907 -1.230105 ESP Fit Center 2299 is at 3.415322 3.547907 -1.230105 ESP Fit Center 2300 is at 5.456729 0.738152 -1.230105 ESP Fit Center 2301 is at 5.586267 1.136829 -1.230105 ESP Fit Center 2302 is at 5.412478 1.553726 -1.581553 ESP Fit Center 2303 is at 5.364294 1.965965 -1.581553 ESP Fit Center 2304 is at 5.222340 2.355981 -1.581553 ESP Fit Center 2305 is at 4.994268 2.702747 -1.581553 ESP Fit Center 2306 is at 4.692375 2.987568 -1.581553 ESP Fit Center 2307 is at 4.332935 3.195091 -1.581553 ESP Fit Center 2308 is at 3.935325 3.314128 -1.581553 ESP Fit Center 2309 is at 3.520982 3.338260 -1.581553 ESP Fit Center 2310 is at 3.112242 3.266188 -1.581553 ESP Fit Center 2311 is at 5.222340 0.751471 -1.581553 ESP Fit Center 2312 is at 5.364294 1.141487 -1.581553 ESP Fit Center 2313 is at 5.133997 1.553726 -1.887032 ESP Fit Center 2314 is at 5.072869 1.978883 -1.887032 ESP Fit Center 2315 is at 4.894436 2.369595 -1.887032 ESP Fit Center 2316 is at 4.613155 2.694211 -1.887032 ESP Fit Center 2317 is at 4.251813 2.926432 -1.887032 ESP Fit Center 2318 is at 3.839683 3.047444 -1.887032 ESP Fit Center 2319 is at 3.410155 3.047444 -1.887032 ESP Fit Center 2320 is at 2.998025 2.926432 -1.887032 ESP Fit Center 2321 is at 4.894436 0.737857 -1.887032 ESP Fit Center 2322 is at 5.072869 1.128570 -1.887032 ESP Fit Center 2323 is at 4.804127 1.553726 -2.136138 ESP Fit Center 2324 is at 4.724498 1.979705 -2.136138 ESP Fit Center 2325 is at 4.496364 2.348153 -2.136138 ESP Fit Center 2326 is at 4.150537 2.609310 -2.136138 ESP Fit Center 2327 is at 3.733723 2.727904 -2.136138 ESP Fit Center 2328 is at 3.302213 2.687919 -2.136138 ESP Fit Center 2329 is at 4.496364 0.759299 -2.136138 ESP Fit Center 2330 is at 4.724498 1.127747 -2.136138 ESP Fit Center 2331 is at 4.434100 1.553726 -2.320389 ESP Fit Center 2332 is at 4.325691 1.958317 -2.320389 ESP Fit Center 2333 is at 4.029510 2.254498 -2.320389 ESP Fit Center 2334 is at 3.624919 2.362907 -2.320389 ESP Fit Center 2335 is at 3.220328 2.254498 -2.320389 ESP Fit Center 2336 is at 3.624919 0.744545 -2.320389 ESP Fit Center 2337 is at 4.029510 0.852955 -2.320389 ESP Fit Center 2338 is at 4.325691 1.149135 -2.320389 ESP Fit Center 2339 is at 4.036518 1.553726 -2.433511 ESP Fit Center 2340 is at 3.830719 1.910181 -2.433511 ESP Fit Center 2341 is at 3.419120 1.910181 -2.433511 ESP Fit Center 2342 is at 3.213320 1.553726 -2.433511 ESP Fit Center 2343 is at 3.419120 1.197271 -2.433511 ESP Fit Center 2344 is at 3.830719 1.197271 -2.433511 ESP Fit Center 2345 is at 3.624919 1.553726 -2.471652 ESP Fit Center 2346 is at 1.907162 0.218062 2.244164 ESP Fit Center 2347 is at 1.698785 -0.142859 2.244164 ESP Fit Center 2348 is at 1.705116 0.568016 2.135887 ESP Fit Center 2349 is at 1.404665 0.267565 2.135887 ESP Fit Center 2350 is at 1.196287 0.628486 -2.197836 ESP Fit Center 2351 is at 2.936388 -0.142859 -2.374637 ESP Fit Center 2352 is at 1.404665 0.267565 -2.374637 ESP Fit Center 2353 is at 1.705116 -0.853735 -2.374637 ESP Fit Center 2354 is at 2.115540 -0.963708 -2.374637 ESP Fit Center 2355 is at 2.532296 -0.142859 -2.482914 ESP Fit Center 2356 is at 2.323918 0.218062 -2.482914 ESP Fit Center 2357 is at 1.907162 0.218062 -2.482914 ESP Fit Center 2358 is at 1.698785 -0.142859 -2.482914 ESP Fit Center 2359 is at 1.907162 -0.503780 -2.482914 ESP Fit Center 2360 is at 2.323918 -0.503780 -2.482914 ESP Fit Center 2361 is at 2.115540 -0.142859 -2.519375 ESP Fit Center 2362 is at 0.805235 -0.548973 2.336047 ESP Fit Center 2363 is at 1.221990 -0.548973 2.299586 ESP Fit Center 2364 is at 1.013613 -0.188052 2.299586 ESP Fit Center 2365 is at 0.596857 -0.188052 2.299586 ESP Fit Center 2366 is at 0.388479 -0.548973 2.299586 ESP Fit Center 2367 is at 0.596857 -0.909894 2.299586 ESP Fit Center 2368 is at 1.013613 -0.909894 2.299586 ESP Fit Center 2369 is at 1.215659 0.161903 2.191309 ESP Fit Center 2370 is at 0.805235 0.271876 2.191309 ESP Fit Center 2371 is at -0.015614 -0.548973 2.191309 ESP Fit Center 2372 is at 0.094359 -0.959397 2.191309 ESP Fit Center 2373 is at 0.394811 -1.259848 2.191309 ESP Fit Center 2374 is at 0.805235 -1.369821 2.191309 ESP Fit Center 2375 is at 1.013613 0.632797 2.014508 ESP Fit Center 2376 is at -0.114019 -1.320318 2.014508 ESP Fit Center 2377 is at 0.205235 -1.588203 2.014508 ESP Fit Center 2378 is at 0.596857 -1.730742 2.014508 ESP Fit Center 2379 is at 1.013613 -1.730742 2.014508 ESP Fit Center 2380 is at 0.288619 -2.002589 -1.902460 ESP Fit Center 2381 is at 0.699958 -2.088067 -1.902460 ESP Fit Center 2382 is at 1.013613 0.632797 -2.142414 ESP Fit Center 2383 is at 0.205235 -1.588203 -2.142414 ESP Fit Center 2384 is at 0.596857 -1.730742 -2.142414 ESP Fit Center 2385 is at 1.013613 -1.730742 -2.142414 ESP Fit Center 2386 is at 0.805235 0.271876 -2.319215 ESP Fit Center 2387 is at -0.015614 -0.548973 -2.319215 ESP Fit Center 2388 is at 0.094359 -0.959397 -2.319215 ESP Fit Center 2389 is at 0.394811 -1.259848 -2.319215 ESP Fit Center 2390 is at 0.805235 -1.369821 -2.319215 ESP Fit Center 2391 is at 1.215659 -1.259848 -2.319215 ESP Fit Center 2392 is at 1.516110 -0.959397 -2.319215 ESP Fit Center 2393 is at 1.221990 -0.548973 -2.427492 ESP Fit Center 2394 is at 1.013613 -0.188052 -2.427492 ESP Fit Center 2395 is at 0.596857 -0.188052 -2.427492 ESP Fit Center 2396 is at 0.388479 -0.548973 -2.427492 ESP Fit Center 2397 is at 0.596857 -0.909894 -2.427492 ESP Fit Center 2398 is at 1.013613 -0.909894 -2.427492 ESP Fit Center 2399 is at 0.805235 -0.548973 -2.463953 ESP Fit Center 2400 is at -0.193515 0.340197 2.324942 ESP Fit Center 2401 is at 0.223241 0.340197 2.288480 ESP Fit Center 2402 is at 0.014863 0.701118 2.288480 ESP Fit Center 2403 is at -0.401893 0.701118 2.288480 ESP Fit Center 2404 is at 0.014863 -0.020724 2.288480 ESP Fit Center 2405 is at 0.627333 0.340197 2.180204 ESP Fit Center 2406 is at 0.517361 0.750621 2.180204 ESP Fit Center 2407 is at 0.216909 1.051072 2.180204 ESP Fit Center 2408 is at -0.193515 1.161045 2.180204 ESP Fit Center 2409 is at -0.603939 1.051072 2.180204 ESP Fit Center 2410 is at 0.934116 0.750621 2.003403 ESP Fit Center 2411 is at 0.934116 0.750621 -2.153519 ESP Fit Center 2412 is at -1.112768 1.111542 -2.153519 ESP Fit Center 2413 is at 0.627333 0.340197 -2.330321 ESP Fit Center 2414 is at 0.517361 0.750621 -2.330321 ESP Fit Center 2415 is at -0.904390 0.750621 -2.330321 ESP Fit Center 2416 is at -1.014363 0.340197 -2.330321 ESP Fit Center 2417 is at -0.904390 -0.070228 -2.330321 ESP Fit Center 2418 is at -0.603939 -0.370679 -2.330321 ESP Fit Center 2419 is at -0.193515 -0.480652 -2.330321 ESP Fit Center 2420 is at 0.223241 0.340197 -2.438597 ESP Fit Center 2421 is at 0.014863 0.701118 -2.438597 ESP Fit Center 2422 is at -0.401893 0.701118 -2.438597 ESP Fit Center 2423 is at -0.610270 0.340197 -2.438597 ESP Fit Center 2424 is at -0.401893 -0.020724 -2.438597 ESP Fit Center 2425 is at 0.014863 -0.020724 -2.438597 ESP Fit Center 2426 is at -0.193515 0.340197 -2.475058 ESP Fit Center 2427 is at 5.759203 -0.791782 0.094382 ESP Fit Center 2428 is at 5.708936 -0.377800 0.094382 ESP Fit Center 2429 is at 5.561058 0.012124 0.094382 ESP Fit Center 2430 is at 5.901204 -0.791782 -0.311434 ESP Fit Center 2431 is at 5.854272 -0.375254 -0.311434 ESP Fit Center 2432 is at 5.715831 0.020388 -0.311434 ESP Fit Center 2433 is at 5.715831 -1.603953 -0.311434 ESP Fit Center 2434 is at 5.854272 -1.208311 -0.311434 ESP Fit Center 2435 is at 5.949342 -0.791782 -0.738674 ESP Fit Center 2436 is at 5.904454 -0.379039 -0.738674 ESP Fit Center 2437 is at 5.771887 0.014405 -0.738674 ESP Fit Center 2438 is at 5.557841 0.370152 -0.738674 ESP Fit Center 2439 is at 5.272324 -2.255134 -0.738674 ESP Fit Center 2440 is at 5.557841 -1.953717 -0.738674 ESP Fit Center 2441 is at 5.771887 -1.597970 -0.738674 ESP Fit Center 2442 is at 5.904454 -1.204526 -0.738674 ESP Fit Center 2443 is at 5.901204 -0.791782 -1.165915 ESP Fit Center 2444 is at 5.854272 -0.375254 -1.165915 ESP Fit Center 2445 is at 5.715831 0.020388 -1.165915 ESP Fit Center 2446 is at 5.492823 0.375304 -1.165915 ESP Fit Center 2447 is at 5.196429 -2.255263 -1.165915 ESP Fit Center 2448 is at 5.492823 -1.958869 -1.165915 ESP Fit Center 2449 is at 5.715831 -1.603953 -1.165915 ESP Fit Center 2450 is at 5.854272 -1.208311 -1.165915 ESP Fit Center 2451 is at 5.759203 -0.791782 -1.571731 ESP Fit Center 2452 is at 5.708936 -0.377800 -1.571731 ESP Fit Center 2453 is at 5.561058 0.012124 -1.571731 ESP Fit Center 2454 is at 5.324161 0.355327 -1.571731 ESP Fit Center 2455 is at 5.012015 -2.215430 -1.571731 ESP Fit Center 2456 is at 5.324161 -1.938892 -1.571731 ESP Fit Center 2457 is at 5.561058 -1.595689 -1.571731 ESP Fit Center 2458 is at 5.708936 -1.205765 -1.571731 ESP Fit Center 2459 is at 5.530459 -0.791782 -1.935775 ESP Fit Center 2460 is at 5.469653 -0.368869 -1.935775 ESP Fit Center 2461 is at 5.292162 0.019782 -1.935775 ESP Fit Center 2462 is at 5.012365 0.342686 -1.935775 ESP Fit Center 2463 is at 4.652929 -2.157246 -1.935775 ESP Fit Center 2464 is at 5.012365 -1.926251 -1.935775 ESP Fit Center 2465 is at 5.292162 -1.603347 -1.935775 ESP Fit Center 2466 is at 5.469653 -1.214696 -1.935775 ESP Fit Center 2467 is at 5.226443 -0.791782 -2.239791 ESP Fit Center 2468 is at 5.154249 -0.382350 -2.239791 ESP Fit Center 2469 is at 4.946374 -0.022301 -2.239791 ESP Fit Center 2470 is at 4.627893 0.244937 -2.239791 ESP Fit Center 2471 is at 4.237217 0.387131 -2.239791 ESP Fit Center 2472 is at 3.821468 0.387131 -2.239791 ESP Fit Center 2473 is at 3.430792 0.244937 -2.239791 ESP Fit Center 2474 is at 4.237217 -1.970696 -2.239791 ESP Fit Center 2475 is at 4.627893 -1.828502 -2.239791 ESP Fit Center 2476 is at 4.946374 -1.561264 -2.239791 ESP Fit Center 2477 is at 5.154249 -1.201215 -2.239791 ESP Fit Center 2478 is at 4.862399 -0.791782 -2.468535 ESP Fit Center 2479 is at 4.750791 -0.375254 -2.468535 ESP Fit Center 2480 is at 4.445871 -0.070334 -2.468535 ESP Fit Center 2481 is at 4.029342 0.041274 -2.468535 ESP Fit Center 2482 is at 3.612814 -0.070334 -2.468535 ESP Fit Center 2483 is at 3.307894 -0.375254 -2.468535 ESP Fit Center 2484 is at 4.029342 -1.624839 -2.468535 ESP Fit Center 2485 is at 4.445871 -1.513231 -2.468535 ESP Fit Center 2486 is at 4.750791 -1.208311 -2.468535 ESP Fit Center 2487 is at 4.456583 -0.791782 -2.610536 ESP Fit Center 2488 is at 4.242962 -0.421782 -2.610536 ESP Fit Center 2489 is at 3.815722 -0.421782 -2.610536 ESP Fit Center 2490 is at 3.602102 -0.791782 -2.610536 ESP Fit Center 2491 is at 3.815722 -1.161783 -2.610536 ESP Fit Center 2492 is at 4.242962 -1.161783 -2.610536 ESP Fit Center 2493 is at 4.029342 -0.791782 -2.658674 ESP Fit Center 2494 is at 4.165307 -0.517512 3.643823 ESP Fit Center 2495 is at 4.592548 -0.517512 3.595685 ESP Fit Center 2496 is at 4.378927 -0.147511 3.595685 ESP Fit Center 2497 is at 3.951687 -0.147511 3.595685 ESP Fit Center 2498 is at 3.738067 -0.517512 3.595685 ESP Fit Center 2499 is at 4.378927 -0.887513 3.595685 ESP Fit Center 2500 is at 4.998364 -0.517512 3.453683 ESP Fit Center 2501 is at 4.886756 -0.100983 3.453683 ESP Fit Center 2502 is at 4.581836 0.203937 3.453683 ESP Fit Center 2503 is at 4.165307 0.315545 3.453683 ESP Fit Center 2504 is at 3.748779 0.203937 3.453683 ESP Fit Center 2505 is at 3.443859 -0.100983 3.453683 ESP Fit Center 2506 is at 4.886756 -0.934040 3.453683 ESP Fit Center 2507 is at 5.362408 -0.517512 3.224939 ESP Fit Center 2508 is at 5.290214 -0.108079 3.224939 ESP Fit Center 2509 is at 5.082340 0.251970 3.224939 ESP Fit Center 2510 is at 4.763858 0.519208 3.224939 ESP Fit Center 2511 is at 4.373182 0.661402 3.224939 ESP Fit Center 2512 is at 3.957433 0.661402 3.224939 ESP Fit Center 2513 is at 3.566757 0.519208 3.224939 ESP Fit Center 2514 is at 3.248275 0.251970 3.224939 ESP Fit Center 2515 is at 3.040401 -0.108079 3.224939 ESP Fit Center 2516 is at 5.290214 -0.926944 3.224939 ESP Fit Center 2517 is at 5.666424 -0.517512 2.920923 ESP Fit Center 2518 is at 5.605618 -0.094598 2.920923 ESP Fit Center 2519 is at 5.428127 0.294053 2.920923 ESP Fit Center 2520 is at 5.148330 0.616956 2.920923 ESP Fit Center 2521 is at 4.788894 0.847952 2.920923 ESP Fit Center 2522 is at 4.378939 0.968326 2.920923 ESP Fit Center 2523 is at 3.951676 0.968326 2.920923 ESP Fit Center 2524 is at 3.541721 0.847952 2.920923 ESP Fit Center 2525 is at 3.182285 0.616956 2.920923 ESP Fit Center 2526 is at 2.902488 0.294053 2.920923 ESP Fit Center 2527 is at 5.605618 -0.940425 2.920923 ESP Fit Center 2528 is at 5.895168 -0.517512 2.556880 ESP Fit Center 2529 is at 5.844901 -0.103529 2.556880 ESP Fit Center 2530 is at 5.697023 0.286394 2.556880 ESP Fit Center 2531 is at 5.460126 0.629598 2.556880 ESP Fit Center 2532 is at 5.147980 0.906135 2.556880 ESP Fit Center 2533 is at 4.778724 1.099936 2.556880 ESP Fit Center 2534 is at 4.373819 1.199736 2.556880 ESP Fit Center 2535 is at 3.956796 1.199736 2.556880 ESP Fit Center 2536 is at 3.551890 1.099936 2.556880 ESP Fit Center 2537 is at 3.182635 0.906135 2.556880 ESP Fit Center 2538 is at 2.870488 0.629598 2.556880 ESP Fit Center 2539 is at 2.633592 0.286394 2.556880 ESP Fit Center 2540 is at 5.844901 -0.931494 2.556880 ESP Fit Center 2541 is at 6.037169 -0.517512 2.151063 ESP Fit Center 2542 is at 5.990237 -0.100983 2.151063 ESP Fit Center 2543 is at 5.851796 0.294659 2.151063 ESP Fit Center 2544 is at 5.628788 0.649575 2.151063 ESP Fit Center 2545 is at 5.332394 0.945969 2.151063 ESP Fit Center 2546 is at 4.977478 1.168977 2.151063 ESP Fit Center 2547 is at 4.581836 1.307418 2.151063 ESP Fit Center 2548 is at 4.165307 1.354350 2.151063 ESP Fit Center 2549 is at 3.748779 1.307418 2.151063 ESP Fit Center 2550 is at 3.353137 1.168977 2.151063 ESP Fit Center 2551 is at 2.998221 0.945969 2.151063 ESP Fit Center 2552 is at 2.701827 0.649575 2.151063 ESP Fit Center 2553 is at 5.990237 -0.934040 2.151063 ESP Fit Center 2554 is at 6.085307 -0.517512 1.723823 ESP Fit Center 2555 is at 6.040419 -0.104768 1.723823 ESP Fit Center 2556 is at 5.907852 0.288675 1.723823 ESP Fit Center 2557 is at 5.693806 0.644423 1.723823 ESP Fit Center 2558 is at 5.408289 0.945839 1.723823 ESP Fit Center 2559 is at 5.064652 1.178831 1.723823 ESP Fit Center 2560 is at 6.037169 -0.517512 1.296583 ESP Fit Center 2561 is at 5.990237 -0.100983 1.296583 ESP Fit Center 2562 is at 5.851796 0.294659 1.296583 ESP Fit Center 2563 is at 5.628788 0.649575 1.296583 ESP Fit Center 2564 is at 5.332394 0.945969 1.296583 ESP Fit Center 2565 is at 5.844901 -0.103529 0.890766 ESP Fit Center 2566 is at 5.697023 0.286394 0.890766 ESP Fit Center 2567 is at 5.460126 0.629598 0.890766 ESP Fit Center 2568 is at 5.428127 0.294053 0.526723 ESP Fit Center 2569 is at 5.401854 -2.175110 2.946883 ESP Fit Center 2570 is at 4.568797 -3.008166 2.946883 ESP Fit Center 2571 is at 4.985325 -2.896558 2.946883 ESP Fit Center 2572 is at 5.290245 -2.591638 2.946883 ESP Fit Center 2573 is at 5.765897 -2.175110 2.718139 ESP Fit Center 2574 is at 5.693703 -1.765677 2.718139 ESP Fit Center 2575 is at 4.360923 -3.354023 2.718139 ESP Fit Center 2576 is at 4.776671 -3.354023 2.718139 ESP Fit Center 2577 is at 5.167347 -3.211829 2.718139 ESP Fit Center 2578 is at 5.485829 -2.944591 2.718139 ESP Fit Center 2579 is at 5.693703 -2.584542 2.718139 ESP Fit Center 2580 is at 6.069913 -2.175110 2.414123 ESP Fit Center 2581 is at 6.009108 -1.752196 2.414123 ESP Fit Center 2582 is at 4.355166 -3.660947 2.414123 ESP Fit Center 2583 is at 4.782428 -3.660947 2.414123 ESP Fit Center 2584 is at 5.192383 -3.540573 2.414123 ESP Fit Center 2585 is at 5.551819 -3.309578 2.414123 ESP Fit Center 2586 is at 5.831617 -2.986674 2.414123 ESP Fit Center 2587 is at 6.009108 -2.598023 2.414123 ESP Fit Center 2588 is at 6.298657 -2.175110 2.050080 ESP Fit Center 2589 is at 6.248391 -1.761127 2.050080 ESP Fit Center 2590 is at 6.100512 -1.371203 2.050080 ESP Fit Center 2591 is at 3.955380 -3.792557 2.050080 ESP Fit Center 2592 is at 4.360285 -3.892357 2.050080 ESP Fit Center 2593 is at 4.777309 -3.892357 2.050080 ESP Fit Center 2594 is at 5.182214 -3.792557 2.050080 ESP Fit Center 2595 is at 5.551470 -3.598757 2.050080 ESP Fit Center 2596 is at 5.863616 -3.322219 2.050080 ESP Fit Center 2597 is at 6.100512 -2.979016 2.050080 ESP Fit Center 2598 is at 6.248391 -2.589092 2.050080 ESP Fit Center 2599 is at 6.440659 -2.175110 1.644263 ESP Fit Center 2600 is at 6.393727 -1.758581 1.644263 ESP Fit Center 2601 is at 6.255286 -1.362939 1.644263 ESP Fit Center 2602 is at 3.756627 -3.861599 1.644263 ESP Fit Center 2603 is at 4.152269 -4.000040 1.644263 ESP Fit Center 2604 is at 4.568797 -4.046971 1.644263 ESP Fit Center 2605 is at 4.985325 -4.000040 1.644263 ESP Fit Center 2606 is at 5.380967 -3.861599 1.644263 ESP Fit Center 2607 is at 5.735884 -3.638590 1.644263 ESP Fit Center 2608 is at 6.032277 -3.342196 1.644263 ESP Fit Center 2609 is at 6.255286 -2.987280 1.644263 ESP Fit Center 2610 is at 6.393727 -2.591638 1.644263 ESP Fit Center 2611 is at 6.488797 -2.175110 1.217023 ESP Fit Center 2612 is at 6.443908 -1.762366 1.217023 ESP Fit Center 2613 is at 6.311342 -1.368923 1.217023 ESP Fit Center 2614 is at 3.858132 -3.958745 1.217023 ESP Fit Center 2615 is at 4.258176 -4.069816 1.217023 ESP Fit Center 2616 is at 4.672744 -4.092294 1.217023 ESP Fit Center 2617 is at 5.082451 -4.025126 1.217023 ESP Fit Center 2618 is at 5.468141 -3.871453 1.217023 ESP Fit Center 2619 is at 5.811779 -3.638461 1.217023 ESP Fit Center 2620 is at 6.097296 -3.337044 1.217023 ESP Fit Center 2621 is at 6.311342 -2.981297 1.217023 ESP Fit Center 2622 is at 6.443908 -2.587853 1.217023 ESP Fit Center 2623 is at 6.440659 -2.175110 0.789783 ESP Fit Center 2624 is at 6.393727 -1.758581 0.789783 ESP Fit Center 2625 is at 6.255286 -1.362939 0.789783 ESP Fit Center 2626 is at 4.568797 -4.046971 0.789783 ESP Fit Center 2627 is at 4.985325 -4.000040 0.789783 ESP Fit Center 2628 is at 5.380967 -3.861599 0.789783 ESP Fit Center 2629 is at 5.735884 -3.638590 0.789783 ESP Fit Center 2630 is at 6.032277 -3.342196 0.789783 ESP Fit Center 2631 is at 6.255286 -2.987280 0.789783 ESP Fit Center 2632 is at 6.393727 -2.591638 0.789783 ESP Fit Center 2633 is at 6.298657 -2.175110 0.383966 ESP Fit Center 2634 is at 6.248391 -1.761127 0.383966 ESP Fit Center 2635 is at 6.100512 -1.371203 0.383966 ESP Fit Center 2636 is at 5.182214 -3.792557 0.383966 ESP Fit Center 2637 is at 5.551470 -3.598757 0.383966 ESP Fit Center 2638 is at 5.863616 -3.322219 0.383966 ESP Fit Center 2639 is at 6.100512 -2.979016 0.383966 ESP Fit Center 2640 is at 6.248391 -2.589092 0.383966 ESP Fit Center 2641 is at 6.069913 -2.175110 0.019923 ESP Fit Center 2642 is at 6.009108 -1.752196 0.019923 ESP Fit Center 2643 is at 5.831617 -1.363545 0.019923 ESP Fit Center 2644 is at 5.551819 -3.309578 0.019923 ESP Fit Center 2645 is at 5.831617 -2.986674 0.019923 ESP Fit Center 2646 is at 6.009108 -2.598023 0.019923 ESP Fit Center 2647 is at 5.765897 -2.175110 -0.284093 ESP Fit Center 2648 is at 5.693703 -1.765677 -0.284093 ESP Fit Center 2649 is at 5.485829 -2.944591 -0.284093 ESP Fit Center 2650 is at 5.693703 -2.584542 -0.284093 ESP Fit Center 2651 is at 5.401854 -2.175110 -0.512837 ESP Fit Center 2652 is at 2.383299 3.526933 1.481950 ESP Fit Center 2653 is at 2.078379 3.831853 1.481950 ESP Fit Center 2654 is at 1.661851 3.943462 1.481950 ESP Fit Center 2655 is at 1.245322 3.831853 1.481950 ESP Fit Center 2656 is at 2.786757 3.519837 1.253206 ESP Fit Center 2657 is at 2.578883 3.879886 1.253206 ESP Fit Center 2658 is at 2.260401 4.147124 1.253206 ESP Fit Center 2659 is at 1.869725 4.289319 1.253206 ESP Fit Center 2660 is at 1.453977 4.289319 1.253206 ESP Fit Center 2661 is at 1.063301 4.147124 1.253206 ESP Fit Center 2662 is at 0.744819 3.879886 1.253206 ESP Fit Center 2663 is at 3.102161 3.533318 0.949190 ESP Fit Center 2664 is at 2.924670 3.921970 0.949190 ESP Fit Center 2665 is at 2.644873 4.244873 0.949190 ESP Fit Center 2666 is at 2.285437 4.475868 0.949190 ESP Fit Center 2667 is at 1.875482 4.596242 0.949190 ESP Fit Center 2668 is at 1.448220 4.596242 0.949190 ESP Fit Center 2669 is at 1.038265 4.475868 0.949190 ESP Fit Center 2670 is at 0.678829 4.244873 0.949190 ESP Fit Center 2671 is at 3.193566 3.914311 0.585146 ESP Fit Center 2672 is at 2.956670 4.257514 0.585146 ESP Fit Center 2673 is at 2.644523 4.534052 0.585146 ESP Fit Center 2674 is at 2.275268 4.727852 0.585146 ESP Fit Center 2675 is at 1.870362 4.827652 0.585146 ESP Fit Center 2676 is at 1.453339 4.827652 0.585146 ESP Fit Center 2677 is at 1.048434 4.727852 0.585146 ESP Fit Center 2678 is at 0.679178 4.534052 0.585146 ESP Fit Center 2679 is at 3.348340 3.922575 0.179330 ESP Fit Center 2680 is at 3.125331 4.277491 0.179330 ESP Fit Center 2681 is at 2.828937 4.573885 0.179330 ESP Fit Center 2682 is at 2.474021 4.796894 0.179330 ESP Fit Center 2683 is at 2.078379 4.935335 0.179330 ESP Fit Center 2684 is at 1.661851 4.982266 0.179330 ESP Fit Center 2685 is at 1.245322 4.935335 0.179330 ESP Fit Center 2686 is at 0.849681 4.796894 0.179330 ESP Fit Center 2687 is at 0.494764 4.573885 0.179330 ESP Fit Center 2688 is at 3.404396 3.916592 -0.247911 ESP Fit Center 2689 is at 3.190350 4.272339 -0.247911 ESP Fit Center 2690 is at 2.904832 4.573756 -0.247911 ESP Fit Center 2691 is at 2.561195 4.806748 -0.247911 ESP Fit Center 2692 is at 2.175505 4.960421 -0.247911 ESP Fit Center 2693 is at 1.765798 5.027589 -0.247911 ESP Fit Center 2694 is at 1.351229 5.005112 -0.247911 ESP Fit Center 2695 is at 0.951186 4.894040 -0.247911 ESP Fit Center 2696 is at 0.584372 4.699568 -0.247911 ESP Fit Center 2697 is at 3.348340 3.922575 -0.675151 ESP Fit Center 2698 is at 3.125331 4.277491 -0.675151 ESP Fit Center 2699 is at 2.828937 4.573885 -0.675151 ESP Fit Center 2700 is at 2.474021 4.796894 -0.675151 ESP Fit Center 2701 is at 2.078379 4.935335 -0.675151 ESP Fit Center 2702 is at 1.661851 4.982266 -0.675151 ESP Fit Center 2703 is at 1.245322 4.935335 -0.675151 ESP Fit Center 2704 is at 0.849681 4.796894 -0.675151 ESP Fit Center 2705 is at 0.494764 4.573885 -0.675151 ESP Fit Center 2706 is at 3.193566 3.914311 -1.080967 ESP Fit Center 2707 is at 2.956670 4.257514 -1.080967 ESP Fit Center 2708 is at 2.644523 4.534052 -1.080967 ESP Fit Center 2709 is at 2.275268 4.727852 -1.080967 ESP Fit Center 2710 is at 1.870362 4.827652 -1.080967 ESP Fit Center 2711 is at 1.453339 4.827652 -1.080967 ESP Fit Center 2712 is at 1.048434 4.727852 -1.080967 ESP Fit Center 2713 is at 0.679178 4.534052 -1.080967 ESP Fit Center 2714 is at 3.102161 3.533318 -1.445011 ESP Fit Center 2715 is at 2.924670 3.921970 -1.445011 ESP Fit Center 2716 is at 2.644873 4.244873 -1.445011 ESP Fit Center 2717 is at 2.285437 4.475868 -1.445011 ESP Fit Center 2718 is at 1.875482 4.596242 -1.445011 ESP Fit Center 2719 is at 1.448220 4.596242 -1.445011 ESP Fit Center 2720 is at 1.038265 4.475868 -1.445011 ESP Fit Center 2721 is at 0.678829 4.244873 -1.445011 ESP Fit Center 2722 is at 2.786757 3.519837 -1.749027 ESP Fit Center 2723 is at 2.578883 3.879886 -1.749027 ESP Fit Center 2724 is at 2.260401 4.147124 -1.749027 ESP Fit Center 2725 is at 1.869725 4.289319 -1.749027 ESP Fit Center 2726 is at 1.453977 4.289319 -1.749027 ESP Fit Center 2727 is at 1.063301 4.147124 -1.749027 ESP Fit Center 2728 is at 0.744819 3.879886 -1.749027 ESP Fit Center 2729 is at 2.383299 3.526933 -1.977771 ESP Fit Center 2730 is at 2.078379 3.831853 -1.977771 ESP Fit Center 2731 is at 1.661851 3.943462 -1.977771 ESP Fit Center 2732 is at 1.245322 3.831853 -1.977771 ESP Fit Center 2733 is at 1.875471 3.480406 -2.119772 ESP Fit Center 2734 is at 0.361969 -1.982931 1.862057 ESP Fit Center 2735 is at 0.789209 -1.982931 1.862057 ESP Fit Center 2736 is at -0.145859 -2.029458 1.720056 ESP Fit Center 2737 is at 0.159061 -2.334378 1.720056 ESP Fit Center 2738 is at 0.575589 -2.445987 1.720056 ESP Fit Center 2739 is at 0.992118 -2.334378 1.720056 ESP Fit Center 2740 is at -0.022961 -2.649649 1.491312 ESP Fit Center 2741 is at 0.367715 -2.791844 1.491312 ESP Fit Center 2742 is at 0.783463 -2.791844 1.491312 ESP Fit Center 2743 is at 1.174139 -2.649649 1.491312 ESP Fit Center 2744 is at -0.047997 -2.978393 1.187296 ESP Fit Center 2745 is at 0.361958 -3.098767 1.187296 ESP Fit Center 2746 is at 0.789220 -3.098767 1.187296 ESP Fit Center 2747 is at 1.199175 -2.978393 1.187296 ESP Fit Center 2748 is at -0.037828 -3.230377 0.823253 ESP Fit Center 2749 is at 0.367078 -3.330177 0.823253 ESP Fit Center 2750 is at 0.784101 -3.330177 0.823253 ESP Fit Center 2751 is at 1.189006 -3.230377 0.823253 ESP Fit Center 2752 is at 0.159061 -3.437860 0.417436 ESP Fit Center 2753 is at 0.575589 -3.484791 0.417436 ESP Fit Center 2754 is at 0.992118 -3.437860 0.417436 ESP Fit Center 2755 is at -0.135076 -3.396565 -0.009804 ESP Fit Center 2756 is at 0.264968 -3.507637 -0.009804 ESP Fit Center 2757 is at 0.679536 -3.530114 -0.009804 ESP Fit Center 2758 is at 0.159061 -3.437860 -0.437044 ESP Fit Center 2759 is at 0.575589 -3.484791 -0.437044 ESP Fit Center 2760 is at -0.037828 -3.230377 -0.842861 ESP Fit Center 2761 is at 0.367078 -3.330177 -0.842861 ESP Fit Center 2762 is at -0.047997 -2.978393 -1.206905 ESP Fit Center 2763 is at 0.361958 -3.098767 -1.206905 ESP Fit Center 2764 is at -0.022961 -2.649649 -1.510921 ESP Fit Center 2765 is at 0.367715 -2.791844 -1.510921 ESP Fit Center 2766 is at 0.159061 -2.334378 -1.739664 ESP Fit Center 2767 is at 0.575589 -2.445987 -1.739664 ESP Fit Center 2768 is at -3.209219 0.154205 -1.857383 ESP Fit Center 2769 is at -1.472519 1.125911 -2.097338 ESP Fit Center 2770 is at -1.889275 1.125911 -2.097338 ESP Fit Center 2771 is at -2.280897 0.983373 -2.097338 ESP Fit Center 2772 is at -2.600151 0.715487 -2.097338 ESP Fit Center 2773 is at -2.808528 0.354566 -2.097338 ESP Fit Center 2774 is at -1.270473 0.655018 -2.274139 ESP Fit Center 2775 is at -1.680897 0.764990 -2.274139 ESP Fit Center 2776 is at -2.091321 0.655018 -2.274139 ESP Fit Center 2777 is at -2.391773 0.354566 -2.274139 ESP Fit Center 2778 is at -1.264142 -0.055858 -2.382415 ESP Fit Center 2779 is at -1.472519 0.305063 -2.382415 ESP Fit Center 2780 is at -1.889275 0.305063 -2.382415 ESP Fit Center 2781 is at 2.974369 -1.824387 3.843625 ESP Fit Center 2782 is at 3.401609 -1.824387 3.795486 ESP Fit Center 2783 is at 3.187989 -1.454386 3.795486 ESP Fit Center 2784 is at 2.760749 -1.454386 3.795486 ESP Fit Center 2785 is at 2.547129 -1.824387 3.795486 ESP Fit Center 2786 is at 2.760749 -2.194388 3.795486 ESP Fit Center 2787 is at 3.187989 -2.194388 3.795486 ESP Fit Center 2788 is at 3.390897 -1.102939 3.653485 ESP Fit Center 2789 is at 2.974369 -0.991330 3.653485 ESP Fit Center 2790 is at 2.557841 -1.102939 3.653485 ESP Fit Center 2791 is at 2.252921 -1.407859 3.653485 ESP Fit Center 2792 is at 2.141312 -1.824387 3.653485 ESP Fit Center 2793 is at 2.252921 -2.240915 3.653485 ESP Fit Center 2794 is at 2.557841 -2.545835 3.653485 ESP Fit Center 2795 is at 2.974369 -2.657444 3.653485 ESP Fit Center 2796 is at 3.390897 -2.545835 3.653485 ESP Fit Center 2797 is at 3.695817 -2.240915 3.653485 ESP Fit Center 2798 is at 2.766495 -0.645473 3.424741 ESP Fit Center 2799 is at 2.375819 -0.787668 3.424741 ESP Fit Center 2800 is at 2.057337 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Center 2819 is at 2.760738 -3.310224 3.120725 ESP Fit Center 2820 is at 3.188000 -3.310224 3.120725 ESP Fit Center 2821 is at 3.597955 -3.189850 3.120725 ESP Fit Center 2822 is at 1.991696 -0.400740 2.756681 ESP Fit Center 2823 is at 1.679550 -0.677277 2.756681 ESP Fit Center 2824 is at 1.442654 -1.020481 2.756681 ESP Fit Center 2825 is at 1.294775 -1.410404 2.756681 ESP Fit Center 2826 is at 1.244509 -1.824387 2.756681 ESP Fit Center 2827 is at 1.294775 -2.238370 2.756681 ESP Fit Center 2828 is at 1.442654 -2.628293 2.756681 ESP Fit Center 2829 is at 1.679550 -2.971496 2.756681 ESP Fit Center 2830 is at 1.991696 -3.248034 2.756681 ESP Fit Center 2831 is at 2.360952 -3.441834 2.756681 ESP Fit Center 2832 is at 2.765857 -3.541635 2.756681 ESP Fit Center 2833 is at 3.182881 -3.541635 2.756681 ESP Fit Center 2834 is at 3.587786 -3.441834 2.756681 ESP Fit Center 2835 is at 1.807282 -0.360907 2.350865 ESP Fit Center 2836 is at 1.510889 -0.657300 2.350865 ESP Fit Center 2837 is at 1.287880 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Center 2856 is at 1.287880 -2.636557 1.496384 ESP Fit Center 2857 is at 1.510889 -2.991474 1.496384 ESP Fit Center 2858 is at 1.807282 -3.287867 1.496384 ESP Fit Center 2859 is at 2.162199 -3.510876 1.496384 ESP Fit Center 2860 is at 2.557841 -3.649317 1.496384 ESP Fit Center 2861 is at 2.974369 -3.696249 1.496384 ESP Fit Center 2862 is at 3.496783 -3.900787 1.051872 ESP Fit Center 2863 is at 2.898232 -4.104450 0.823129 ESP Fit Center 2864 is at 3.288908 -4.246644 0.823129 ESP Fit Center 2865 is at 3.704657 -4.246644 0.823129 ESP Fit Center 2866 is at 4.095333 -4.104450 0.823129 ESP Fit Center 2867 is at 2.873196 -4.433194 0.519113 ESP Fit Center 2868 is at 3.283151 -4.553568 0.519113 ESP Fit Center 2869 is at 3.710414 -4.553568 0.519113 ESP Fit Center 2870 is at 4.120369 -4.433194 0.519113 ESP Fit Center 2871 is at 4.479805 -4.202198 0.519113 ESP Fit Center 2872 is at 2.514110 -4.491377 0.155069 ESP Fit Center 2873 is at 2.883366 -4.685178 0.155069 ESP Fit Center 2874 is at 3.288271 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ESP Fit Center 2911 is at 5.183272 -3.879901 -1.105228 ESP Fit Center 2912 is at 5.321713 -3.484259 -1.105228 ESP Fit Center 2913 is at 5.226643 -3.067730 -1.511045 ESP Fit Center 2914 is at 5.176376 -2.653748 -1.511045 ESP Fit Center 2915 is at 5.028498 -2.263824 -1.511045 ESP Fit Center 2916 is at 2.514110 -4.491377 -1.511045 ESP Fit Center 2917 is at 2.883366 -4.685178 -1.511045 ESP Fit Center 2918 is at 3.288271 -4.784978 -1.511045 ESP Fit Center 2919 is at 3.705294 -4.784978 -1.511045 ESP Fit Center 2920 is at 4.110199 -4.685178 -1.511045 ESP Fit Center 2921 is at 4.479455 -4.491377 -1.511045 ESP Fit Center 2922 is at 4.791602 -4.214840 -1.511045 ESP Fit Center 2923 is at 5.028498 -3.871636 -1.511045 ESP Fit Center 2924 is at 5.176376 -3.481713 -1.511045 ESP Fit Center 2925 is at 4.997899 -3.067730 -1.875088 ESP Fit Center 2926 is at 4.937093 -2.644817 -1.875088 ESP Fit Center 2927 is at 4.759602 -2.256165 -1.875088 ESP Fit Center 2928 is at 2.873196 -4.433194 -1.875088 ESP Fit Center 2929 is at 3.283151 -4.553568 -1.875088 ESP Fit Center 2930 is at 3.710414 -4.553568 -1.875088 ESP Fit Center 2931 is at 4.120369 -4.433194 -1.875088 ESP Fit Center 2932 is at 4.479805 -4.202198 -1.875088 ESP Fit Center 2933 is at 4.759602 -3.879295 -1.875088 ESP Fit Center 2934 is at 4.937093 -3.490644 -1.875088 ESP Fit Center 2935 is at 4.693883 -3.067730 -2.179104 ESP Fit Center 2936 is at 4.621689 -2.658298 -2.179104 ESP Fit Center 2937 is at 4.413815 -2.298249 -2.179104 ESP Fit Center 2938 is at 2.898232 -4.104450 -2.179104 ESP Fit Center 2939 is at 3.288908 -4.246644 -2.179104 ESP Fit Center 2940 is at 3.704657 -4.246644 -2.179104 ESP Fit Center 2941 is at 4.095333 -4.104450 -2.179104 ESP Fit Center 2942 is at 4.413815 -3.837212 -2.179104 ESP Fit Center 2943 is at 4.621689 -3.477163 -2.179104 ESP Fit Center 2944 is at 4.329839 -3.067730 -2.407848 ESP Fit Center 2945 is at 4.218231 -2.651202 -2.407848 ESP Fit Center 2946 is at 3.080254 -3.789179 -2.407848 ESP Fit Center 2947 is at 3.496783 -3.900787 -2.407848 ESP Fit Center 2948 is at 3.913311 -3.789179 -2.407848 ESP Fit Center 2949 is at 4.218231 -3.484259 -2.407848 ESP Fit Center 2950 is at 3.924023 -3.067730 -2.549849 ESP Fit Center 2951 is at 3.283163 -3.437731 -2.549849 ESP Fit Center 2952 is at 3.710403 -3.437731 -2.549849 ESP Fit Center 2953 is at -2.110775 -3.886545 -0.389484 ESP Fit Center 2954 is at -2.216815 -3.847703 -0.806239 ESP Fit Center 2955 is at -1.793509 -3.828693 -0.806239 ESP Fit Center 2956 is at -1.380401 -3.734404 -0.806239 ESP Fit Center 2957 is at -2.003465 -3.739253 -1.210332 ESP Fit Center 2958 is at -1.579077 -3.678235 -1.210332 ESP Fit Center 2959 is at -1.173905 -3.538003 -1.210332 ESP Fit Center 2960 is at -0.802594 -3.323627 -1.210332 ESP Fit Center 2961 is at -2.216047 -3.562338 -1.589484 ESP Fit Center 2962 is at -2.627390 -0.032928 -2.227990 ESP Fit Center 2963 is at -3.000414 -0.226213 -2.227990 ESP Fit Center 2964 is at -3.181402 -1.882599 2.030237 ESP Fit Center 2965 is at -3.389779 -1.521678 2.030237 ESP Fit Center 2966 is at -2.777309 -1.882599 1.921960 ESP Fit Center 2967 is at -2.887282 -1.472175 1.921960 ESP Fit Center 2968 is at -5.510300 -3.271852 0.083454 ESP Fit Center 2969 is at -5.676618 -3.082599 -0.333302 ESP Fit Center 2970 is at -5.436664 -3.425290 -0.333302 ESP Fit Center 2971 is at -5.727632 -2.908100 -0.750058 ESP Fit Center 2972 is at -5.510300 -3.271852 -0.750058 ESP Fit Center 2973 is at -5.231510 -3.590953 -0.750058 ESP Fit Center 2974 is at -4.900223 -3.855145 -0.750058 ESP Fit Center 2975 is at -4.527087 -4.055939 -0.750058 ESP Fit Center 2976 is at -2.867784 -4.130458 -0.750058 ESP Fit Center 2977 is at -2.478150 -3.963921 -0.750058 ESP Fit Center 2978 is at -3.490847 -4.135307 -1.154150 ESP Fit Center 2979 is at -3.066459 -4.074289 -1.154150 ESP Fit Center 2980 is at -2.661287 -3.934058 -1.154150 ESP Fit Center 2981 is at -2.498726 -3.646473 -1.533302 ESP Fit Center 2982 is at -3.284288 -0.372176 -2.171809 ESP Fit Center 2983 is at -3.703434 -0.343505 -2.171809 ESP Fit Center 2984 is at -3.389779 -0.700830 -2.411763 ESP Fit Center 2985 is at -3.528008 -1.257142 2.171285 ESP Fit Center 2986 is at -6.472934 0.161963 1.292824 ESP Fit Center 2987 is at -6.660196 0.186703 0.913672 ESP Fit Center 2988 is at -6.819547 -0.211337 0.913672 ESP Fit Center 2989 is at -6.785114 0.178783 0.509579 ESP Fit Center 2990 is at -6.934003 -0.217930 0.509579 ESP Fit Center 2991 is at -7.009663 -0.634852 0.509579 ESP Fit Center 2992 is at -6.734100 0.353282 0.092824 ESP Fit Center 2993 is at -6.910901 -1.667567 0.092824 ESP Fit Center 2994 is at -6.734100 -2.046718 0.092824 ESP Fit Center 2995 is at -6.494146 -2.389408 0.092824 ESP Fit Center 2996 is at -6.198329 -2.685225 0.092824 ESP Fit Center 2997 is at -5.855639 -2.925179 0.092824 ESP Fit Center 2998 is at -6.567782 -2.235971 -0.323932 ESP Fit Center 2999 is at -6.288992 -2.555072 -0.323932 ESP Fit Center 3000 is at -5.957705 -2.819264 -0.323932 ESP Fit Center 3001 is at -6.132522 -2.551132 -0.728025 ESP Fit Center 3002 is at -5.783270 -2.799833 -0.728025 ESP Fit Center 3003 is at -3.736386 -0.075373 -1.985637 ESP Fit Center 3004 is at -4.055639 0.192512 -1.985637 ESP Fit Center 3005 is at -3.514918 -0.784897 2.302099 ESP Fit Center 3006 is at -3.171688 -0.542619 2.302099 ESP Fit Center 3007 is at -3.126776 -0.889874 2.006283 ESP Fit Center 3008 is at -4.329928 2.660628 1.663593 ESP Fit Center 3009 is at -4.117346 2.837543 1.284441 ESP Fit Center 3010 is at -4.545613 2.817142 1.284441 ESP Fit Center 3011 is at -4.962280 2.716060 1.284441 ESP Fit Center 3012 is at -5.352287 2.537949 1.284441 ESP Fit Center 3013 is at -5.701538 2.289249 1.284441 ESP Fit Center 3014 is at -6.469706 0.799211 1.284441 ESP Fit Center 3015 is at -6.469706 0.370459 1.284441 ESP Fit Center 3016 is at -4.330695 2.945994 0.880348 ESP Fit Center 3017 is at -4.750592 2.889115 0.880348 ESP Fit Center 3018 is at -6.354130 1.610336 0.880348 ESP Fit Center 3019 is at 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ESP Fit Center 3597 is at -5.171588 1.979000 -1.940411 ESP Fit Center 3598 is at -5.476508 1.674080 -1.940411 ESP Fit Center 3599 is at -5.588117 1.257552 -1.940411 ESP Fit Center 3600 is at -5.476508 0.841024 -1.940411 ESP Fit Center 3601 is at -4.338532 0.536104 -1.940411 ESP Fit Center 3602 is at -4.033612 0.841024 -1.940411 ESP Fit Center 3603 is at -4.327820 1.257552 -2.082412 ESP Fit Center 3604 is at -4.541440 1.627553 -2.082412 ESP Fit Center 3605 is at -4.968680 1.627553 -2.082412 ESP Fit Center 3606 is at -5.182300 1.257552 -2.082412 ESP Fit Center 3607 is at -4.968680 0.887551 -2.082412 ESP Fit Center 3608 is at -4.541440 0.887551 -2.082412 ESP Fit Center 3609 is at -4.755060 1.257552 -2.130551 ESP Fit Center 3610 is at -4.558145 0.757953 3.407058 ESP Fit Center 3611 is at -4.130905 0.757953 3.358920 ESP Fit Center 3612 is at -4.344525 1.127953 3.358920 ESP Fit Center 3613 is at -4.771765 1.127953 3.358920 ESP Fit Center 3614 is at -4.985385 0.757953 3.358920 ESP Fit Center 3615 is at -4.771765 0.387952 3.358920 ESP Fit Center 3616 is at -4.344525 0.387952 3.358920 ESP Fit Center 3617 is at -3.725088 0.757953 3.216918 ESP Fit Center 3618 is at -3.836697 1.174481 3.216918 ESP Fit Center 3619 is at -4.141616 1.479401 3.216918 ESP Fit Center 3620 is at -4.558145 1.591009 3.216918 ESP Fit Center 3621 is at -4.974673 1.479401 3.216918 ESP Fit Center 3622 is at -5.279593 1.174481 3.216918 ESP Fit Center 3623 is at -5.391202 0.757953 3.216918 ESP Fit Center 3624 is at -5.279593 0.341424 3.216918 ESP Fit Center 3625 is at -4.974673 0.036504 3.216918 ESP Fit Center 3626 is at -4.558145 -0.075104 3.216918 ESP Fit Center 3627 is at -4.141616 0.036504 3.216918 ESP Fit Center 3628 is at -3.836697 0.341424 3.216918 ESP Fit Center 3629 is at -3.641113 1.527434 2.988174 ESP Fit Center 3630 is at -3.959595 1.794672 2.988174 ESP Fit Center 3631 is at -4.350271 1.936866 2.988174 ESP Fit Center 3632 is at -4.766019 1.936866 2.988174 ESP Fit Center 3633 is at -5.156695 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Fit Center 3652 is at -6.059261 0.757953 2.684158 ESP Fit Center 3653 is at -5.998456 0.335039 2.684158 ESP Fit Center 3654 is at -5.820964 -0.053612 2.684158 ESP Fit Center 3655 is at -5.541167 -0.376516 2.684158 ESP Fit Center 3656 is at -4.344514 -0.727885 2.684158 ESP Fit Center 3657 is at -3.934559 -0.607511 2.684158 ESP Fit Center 3658 is at -3.575123 -0.376516 2.684158 ESP Fit Center 3659 is at -3.295325 -0.053612 2.684158 ESP Fit Center 3660 is at -3.944728 2.375400 2.320115 ESP Fit Center 3661 is at -4.349633 2.475200 2.320115 ESP Fit Center 3662 is at -4.766656 2.475200 2.320115 ESP Fit Center 3663 is at -5.171562 2.375400 2.320115 ESP Fit Center 3664 is at -5.540817 2.181600 2.320115 ESP Fit Center 3665 is at -5.852964 1.905062 2.320115 ESP Fit Center 3666 is at -6.089860 1.561859 2.320115 ESP Fit Center 3667 is at -6.237739 1.171935 2.320115 ESP Fit Center 3668 is at -6.288005 0.757953 2.320115 ESP Fit Center 3669 is at -6.237739 0.343970 2.320115 ESP Fit Center 3670 is at -6.089860 -0.045954 2.320115 ESP Fit Center 3671 is at -4.141616 2.582883 1.914298 ESP Fit Center 3672 is at -4.558145 2.629814 1.914298 ESP Fit Center 3673 is at -4.974673 2.582883 1.914298 ESP Fit Center 3674 is at -5.370315 2.444442 1.914298 ESP Fit Center 3675 is at -5.725231 2.221433 1.914298 ESP Fit Center 3676 is at -6.021625 1.925039 1.914298 ESP Fit Center 3677 is at -6.244634 1.570123 1.914298 ESP Fit Center 3678 is at -6.383075 1.174481 1.914298 ESP Fit Center 3679 is at -6.430006 0.757953 1.914298 ESP Fit Center 3680 is at -6.383075 0.341424 1.914298 ESP Fit Center 3681 is at -5.268810 2.541588 1.487058 ESP Fit Center 3682 is at -5.635624 2.347115 1.487058 ESP Fit Center 3683 is at -5.952056 2.078336 1.487058 ESP Fit Center 3684 is at -6.203311 1.747816 1.487058 ESP Fit Center 3685 is at -6.377639 1.371012 1.487058 ESP Fit Center 3686 is at -6.466890 0.965541 1.487058 ESP Fit Center 3687 is at -6.466890 0.550364 1.487058 ESP Fit Center 3688 is at -6.377639 0.144894 1.487058 ESP Fit Center 3689 is at -2.868471 3.531913 0.543832 ESP Fit Center 3690 is at -3.273376 3.432113 0.543832 ESP Fit Center 3691 is at -3.642632 3.238313 0.543832 ESP Fit Center 3692 is at -3.076487 3.639596 0.138015 ESP Fit Center 3693 is at -3.472129 3.501155 0.138015 ESP Fit Center 3694 is at -3.827046 3.278146 0.138015 ESP Fit Center 3695 is at -2.970580 3.709373 -0.289225 ESP Fit Center 3696 is at -3.370624 3.598301 -0.289225 ESP Fit Center 3697 is at -3.737438 3.403829 -0.289225 ESP Fit Center 3698 is at -4.053870 3.135049 -0.289225 ESP Fit Center 3699 is at -3.076487 3.639596 -0.716465 ESP Fit Center 3700 is at -3.472129 3.501155 -0.716465 ESP Fit Center 3701 is at -3.827046 3.278146 -0.716465 ESP Fit Center 3702 is at -2.868471 3.531913 -1.122282 ESP Fit Center 3703 is at -3.273376 3.432113 -1.122282 ESP Fit Center 3704 is at -3.642632 3.238313 -1.122282 ESP Fit Center 3705 is at -3.954778 2.961775 -1.122282 ESP Fit Center 3706 is at -2.873590 3.300503 -1.486325 ESP Fit Center 3707 is at -3.283545 3.180129 -1.486325 ESP Fit Center 3708 is at -3.642981 2.949134 -1.486325 ESP Fit Center 3709 is at -3.922778 2.626231 -1.486325 ESP Fit Center 3710 is at -2.452085 2.993580 -1.790341 ESP Fit Center 3711 is at -2.867833 2.993580 -1.790341 ESP Fit Center 3712 is at -3.258509 2.851385 -1.790341 ESP Fit Center 3713 is at -3.576991 2.584147 -1.790341 ESP Fit Center 3714 is at -3.784865 2.224098 -1.790341 ESP Fit Center 3715 is at -1.826902 1.814666 -2.019085 ESP Fit Center 3716 is at -2.243431 2.536114 -2.019085 ESP Fit Center 3717 is at -2.659959 2.647723 -2.019085 ESP Fit Center 3718 is at -3.076487 2.536114 -2.019085 ESP Fit Center 3719 is at -3.381407 2.231194 -2.019085 ESP Fit Center 3720 is at -3.493016 1.814666 -2.019085 ESP Fit Center 3721 is at -3.381407 1.398137 -2.019085 ESP Fit Center 3722 is at -3.076487 1.093217 -2.019085 ESP Fit Center 3723 is at -2.659959 0.981609 -2.019085 ESP Fit Center 3724 is at -1.938511 1.398137 -2.019085 ESP Fit Center 3725 is at -2.232719 1.814666 -2.161087 ESP Fit Center 3726 is at -2.446339 2.184667 -2.161087 ESP Fit Center 3727 is at -2.873579 2.184667 -2.161087 ESP Fit Center 3728 is at -3.087199 1.814666 -2.161087 ESP Fit Center 3729 is at -2.873579 1.444665 -2.161087 ESP Fit Center 3730 is at -2.446339 1.444665 -2.161087 ESP Fit Center 3731 is at -2.659959 1.814666 -2.209225 ESP Fit Center 3732 is at -2.463044 1.315066 3.328384 ESP Fit Center 3733 is at -2.035804 1.315066 3.280245 ESP Fit Center 3734 is at -2.249424 1.685067 3.280245 ESP Fit Center 3735 is at -2.676664 1.685067 3.280245 ESP Fit Center 3736 is at -2.890284 1.315066 3.280245 ESP Fit Center 3737 is at -2.676664 0.945066 3.280245 ESP Fit Center 3738 is at -2.249424 0.945066 3.280245 ESP Fit Center 3739 is at -1.629987 1.315066 3.138244 ESP Fit Center 3740 is at -1.741595 1.731595 3.138244 ESP Fit Center 3741 is at -2.046515 2.036515 3.138244 ESP Fit Center 3742 is at -2.463044 2.148123 3.138244 ESP Fit Center 3743 is at -2.879572 2.036515 3.138244 ESP Fit Center 3744 is at -3.184492 1.731595 3.138244 ESP Fit Center 3745 is at -3.296101 1.315066 3.138244 ESP Fit Center 3746 is at -3.184492 0.898538 3.138244 ESP Fit Center 3747 is at -2.879572 0.593618 3.138244 ESP Fit Center 3748 is at -2.463044 0.482010 3.138244 ESP Fit Center 3749 is at -2.046515 0.593618 3.138244 ESP Fit Center 3750 is at -1.741595 0.898538 3.138244 ESP Fit Center 3751 is at -1.265943 1.315066 2.909500 ESP Fit Center 3752 is at -1.338137 1.724499 2.909500 ESP Fit Center 3753 is at -1.546012 2.084548 2.909500 ESP Fit Center 3754 is at -1.864494 2.351786 2.909500 ESP Fit Center 3755 is at -2.255170 2.493980 2.909500 ESP Fit Center 3756 is at -2.670918 2.493980 2.909500 ESP Fit Center 3757 is at -3.061594 2.351786 2.909500 ESP Fit Center 3758 is at -3.380076 2.084548 2.909500 ESP Fit Center 3759 is at -3.587950 1.724499 2.909500 ESP Fit Center 3760 is at -3.061594 0.278347 2.909500 ESP Fit Center 3761 is at -2.670918 0.136153 2.909500 ESP Fit Center 3762 is at -2.255170 0.136153 2.909500 ESP Fit Center 3763 is at -1.864494 0.278347 2.909500 ESP Fit Center 3764 is at -1.546012 0.545585 2.909500 ESP Fit Center 3765 is at -1.338137 0.905634 2.909500 ESP Fit Center 3766 is at -0.961927 1.315066 2.605484 ESP Fit Center 3767 is at -1.022733 1.737980 2.605484 ESP Fit Center 3768 is at -1.200224 2.126631 2.605484 ESP Fit Center 3769 is at -1.480022 2.449535 2.605484 ESP Fit Center 3770 is at -1.839457 2.680530 2.605484 ESP Fit Center 3771 is at -2.249413 2.800904 2.605484 ESP Fit Center 3772 is at -2.676675 2.800904 2.605484 ESP Fit Center 3773 is at -3.086630 2.680530 2.605484 ESP Fit Center 3774 is at -3.446066 2.449535 2.605484 ESP Fit Center 3775 is at -3.725863 2.126631 2.605484 ESP Fit Center 3776 is at -3.086630 -0.050397 2.605484 ESP Fit Center 3777 is at -2.676675 -0.170771 2.605484 ESP Fit Center 3778 is at -1.022733 0.892153 2.605484 ESP Fit Center 3779 is at -0.733184 1.315066 2.241440 ESP Fit Center 3780 is at -0.783450 1.729049 2.241440 ESP Fit Center 3781 is at -0.931329 2.118973 2.241440 ESP Fit Center 3782 is at -1.168225 2.462176 2.241440 ESP Fit Center 3783 is at -1.480371 2.738714 2.241440 ESP Fit Center 3784 is at -1.849627 2.932514 2.241440 ESP Fit Center 3785 is at -2.254532 3.032314 2.241440 ESP Fit Center 3786 is at -2.671555 3.032314 2.241440 ESP Fit Center 3787 is at -3.076461 2.932514 2.241440 ESP Fit Center 3788 is at -3.445716 2.738714 2.241440 ESP Fit Center 3789 is at -3.757863 2.462176 2.241440 ESP Fit Center 3790 is at -0.783450 0.901084 2.241440 ESP Fit Center 3791 is at -2.046515 3.139997 1.835624 ESP Fit Center 3792 is at -2.463044 3.186928 1.835624 ESP Fit Center 3793 is at -2.879572 3.139997 1.835624 ESP Fit Center 3794 is at -3.275214 3.001555 1.835624 ESP Fit Center 3795 is at -3.630130 2.778547 1.835624 ESP Fit Center 3796 is at -2.359097 3.232251 1.408384 ESP Fit Center 3797 is at -2.773665 3.209773 1.408384 ESP Fit Center 3798 is at 3.007633 -0.779025 -2.768186 ESP Fit Center 3799 is at 3.218819 -1.144811 -2.801427 ESP Fit Center 3800 is at 3.771109 -1.435865 3.989415 ESP Fit Center 3801 is at 4.193482 -1.435865 3.956173 ESP Fit Center 3802 is at 3.982296 -1.070079 3.956173 ESP Fit Center 3803 is at 3.559923 -1.070079 3.956173 ESP Fit Center 3804 is at 3.982296 -1.801651 3.956173 ESP Fit Center 3805 is at 4.605455 -1.435865 3.857267 ESP Fit Center 3806 is at 4.493674 -1.018692 3.857267 ESP Fit Center 3807 is at 3.771109 -0.601519 3.857267 ESP Fit Center 3808 is at 3.353936 -0.713300 3.857267 ESP Fit Center 3809 is at 4.188282 -2.158430 3.857267 ESP Fit Center 3810 is at 4.493674 -1.853038 3.857267 ESP Fit Center 3811 is at 4.996883 -1.435865 3.695132 ESP Fit Center 3812 is at 4.922960 -1.016626 3.695132 ESP Fit Center 3813 is at 3.158222 -0.374313 3.695132 ESP Fit Center 3814 is at 3.983963 -2.643017 3.695132 ESP Fit Center 3815 is at 4.383996 -2.497417 3.695132 ESP Fit Center 3816 is at 4.710107 -2.223778 3.695132 ESP Fit Center 3817 is at 4.922960 -1.855105 3.695132 ESP Fit Center 3818 is at 5.358129 -1.435865 3.473761 ESP Fit Center 3819 is at 2.977599 -0.061465 3.473761 ESP Fit Center 3820 is at 2.648916 -0.313672 3.473761 ESP Fit Center 3821 is at 4.181860 -2.968809 3.473761 ESP Fit Center 3822 is at 4.564619 -2.810265 3.473761 ESP Fit Center 3823 is at 4.893302 -2.558058 3.473761 ESP Fit Center 3824 is at 5.145509 -2.229375 3.473761 ESP Fit Center 3825 is at 5.304053 -1.846616 3.473761 ESP Fit Center 3826 is at 5.680297 -1.435865 3.198603 ESP Fit Center 3827 is at 2.580750 0.056798 3.198603 ESP Fit Center 3828 is at 4.195943 -3.297186 3.198603 ESP Fit Center 3829 is at 4.599475 -3.155984 3.198603 ESP Fit Center 3830 is at 5.491228 -2.264231 3.198603 ESP Fit Center 3831 is at 5.632430 -1.860700 3.198603 ESP Fit Center 3832 is at 5.955455 -1.435865 2.876435 ESP Fit Center 3833 is at 2.340667 0.214953 2.876435 ESP Fit Center 3834 is at 2.054097 -0.085592 2.876435 ESP Fit Center 3835 is at 3.875044 -3.617737 2.876435 ESP Fit Center 3836 is at 4.286088 -3.558638 2.876435 ESP Fit Center 3837 is at 5.915981 -1.849255 2.876435 ESP Fit Center 3838 is at 6.176827 -1.435865 2.515189 ESP Fit Center 3839 is at 6.140278 -1.018117 2.515189 ESP Fit Center 3840 is at 3.771109 -3.841583 2.515189 ESP Fit Center 3841 is at 6.303939 -1.013211 2.123761 ESP Fit Center 3842 is at 3.559057 -3.994947 2.123761 ESP Fit Center 3843 is at 6.405035 -1.018692 1.711788 ESP Fit Center 3844 is at 3.353936 -4.069791 1.711788 ESP Fit Center 3845 is at 6.439466 -1.023712 1.289415 ESP Fit Center 3846 is at 6.345279 -0.621220 1.289415 ESP Fit Center 3847 is at 3.055659 -4.039350 1.289415 ESP Fit Center 3848 is at 3.461464 -4.118051 1.289415 ESP Fit Center 3849 is at 6.405035 -1.018692 0.867042 ESP Fit Center 3850 is at 6.307347 -0.611791 0.867042 ESP Fit Center 3851 is at 6.147208 -0.225182 0.867042 ESP Fit Center 3852 is at 6.303939 -1.013211 0.455069 ESP Fit Center 3853 is at 6.199828 -0.602085 0.455069 ESP Fit Center 3854 is at 6.029468 -0.213702 0.455069 ESP Fit Center 3855 is at 5.797506 0.141343 0.455069 ESP Fit Center 3856 is at 6.140278 -1.018117 0.063640 ESP Fit Center 3857 is at 6.031744 -0.613061 0.063640 ESP Fit Center 3858 is at 1.518337 -3.341091 1.364557 ESP Fit Center 3859 is at 1.826400 -3.628802 1.364557 ESP Fit Center 3860 is at 2.200663 -3.822730 1.364557 ESP Fit Center 3861 is at 2.613368 -3.908491 1.364557 ESP Fit Center 3862 is at 1.169980 -3.383086 1.082673 ESP Fit Center 3863 is at 1.446686 -3.712851 1.082673 ESP Fit Center 3864 is at 1.791983 -3.969915 1.082673 ESP Fit Center 3865 is at 2.187255 -4.140419 1.082673 ESP Fit Center 3866 is at 2.611193 -4.215171 1.082673 ESP Fit Center 3867 is at 1.118274 -3.738457 0.754233 ESP Fit Center 3868 is at 1.427660 -4.032551 0.754233 ESP Fit Center 3869 is at 1.789913 -4.258345 0.754233 ESP Fit Center 3870 is at 2.190203 -4.406596 0.754233 ESP Fit Center 3871 is at 2.612142 -4.471235 0.754233 ESP Fit Center 3872 is at 1.013548 -3.919003 0.388196 ESP Fit Center 3873 is at 1.328266 -4.205906 0.388196 ESP Fit Center 3874 is at 1.690343 -4.430095 0.388196 ESP Fit Center 3875 is at 2.087450 -4.583935 0.388196 ESP Fit Center 3876 is at 0.847634 -3.934542 -0.005453 ESP Fit Center 3877 is at 1.148736 -4.235644 -0.005453 ESP Fit Center 3878 is at 1.497551 -4.479887 -0.005453 ESP Fit Center 3879 is at 1.883478 -4.659848 -0.005453 ESP Fit Center 3880 is at 2.294792 -4.770059 -0.005453 ESP Fit Center 3881 is at 0.638282 -3.770600 -0.415977 ESP Fit Center 3882 is at 0.905880 -4.102013 -0.415977 ESP Fit Center 3883 is at 1.225637 -4.383436 -0.415977 ESP Fit Center 3884 is at 1.588356 -4.606771 -0.415977 ESP Fit Center 3885 is at 1.983602 -4.765593 -0.415977 ESP Fit Center 3886 is at 0.638282 -3.770600 -0.832177 ESP Fit Center 3887 is at 0.905880 -4.102013 -0.832177 ESP Fit Center 3888 is at 1.225637 -4.383436 -0.832177 ESP Fit Center 3889 is at 1.588356 -4.606771 -0.832177 ESP Fit Center 3890 is at 1.983602 -4.765593 -0.832177 ESP Fit Center 3891 is at 0.603391 -3.585727 -1.242700 ESP Fit Center 3892 is at 0.847634 -3.934542 -1.242700 ESP Fit Center 3893 is at 1.148736 -4.235644 -1.242700 ESP Fit Center 3894 is at 1.497551 -4.479887 -1.242700 ESP Fit Center 3895 is at 1.883478 -4.659848 -1.242700 ESP Fit Center 3896 is at 0.567083 -3.197938 -1.636349 ESP Fit Center 3897 is at 0.756907 -3.579156 -1.636349 ESP Fit Center 3898 is at 1.013548 -3.919003 -1.636349 ESP Fit Center 3899 is at 1.328266 -4.205906 -1.636349 ESP Fit Center 3900 is at 1.690343 -4.430095 -1.636349 ESP Fit Center 3901 is at 2.087450 -4.583935 -1.636349 ESP Fit Center 3902 is at 0.620159 -2.577714 -2.002386 ESP Fit Center 3903 is at 0.706086 -2.995837 -2.002386 ESP Fit Center 3904 is at 0.874421 -3.388105 -2.002386 ESP Fit Center 3905 is at 1.118274 -3.738457 -2.002386 ESP Fit Center 3906 is at 1.427660 -4.032551 -2.002386 ESP Fit Center 3907 is at 1.789913 -4.258345 -2.002386 ESP Fit Center 3908 is at 2.190203 -4.406596 -2.002386 ESP Fit Center 3909 is at 0.877507 -2.149044 -2.330826 ESP Fit Center 3910 is at 0.877507 -2.579522 -2.330826 ESP Fit Center 3911 is at 0.976782 -2.998397 -2.330826 ESP Fit Center 3912 is at 1.169980 -3.383086 -2.330826 ESP Fit Center 3913 is at 1.446686 -3.712851 -2.330826 ESP Fit Center 3914 is at 1.791983 -3.969915 -2.330826 ESP Fit Center 3915 is at 2.187255 -4.140419 -2.330826 ESP Fit Center 3916 is at 2.611193 -4.215171 -2.330826 ESP Fit Center 3917 is at 4.266811 -2.364283 -2.612711 ESP Fit Center 3918 is at 4.209414 -1.946687 -2.612711 ESP Fit Center 3919 is at 1.518337 -1.387475 -2.612711 ESP Fit Center 3920 is at 1.299321 -1.747631 -2.612711 ESP Fit Center 3921 is at 1.185595 -2.153522 -2.612711 ESP Fit Center 3922 is at 1.185595 -2.575044 -2.612711 ESP Fit Center 3923 is at 1.299321 -2.980935 -2.612711 ESP Fit Center 3924 is at 1.518337 -3.341091 -2.612711 ESP Fit Center 3925 is at 1.826400 -3.628802 -2.612711 ESP Fit Center 3926 is at 2.200663 -3.822730 -2.612711 ESP Fit Center 3927 is at 2.613368 -3.908491 -2.612711 ESP Fit Center 3928 is at 3.918382 -2.364283 -2.840351 ESP Fit Center 3929 is at 3.846050 -1.954068 -2.840351 ESP Fit Center 3930 is at 3.637779 -1.593332 -2.840351 ESP Fit Center 3931 is at 3.318689 -1.325583 -2.840351 ESP Fit Center 3932 is at 2.927266 -1.183117 -2.840351 ESP Fit Center 3933 is at 2.510724 -1.183117 -2.840351 ESP Fit Center 3934 is at 2.119301 -1.325583 -2.840351 ESP Fit Center 3935 is at 1.800211 -1.593332 -2.840351 ESP Fit Center 3936 is at 1.591939 -1.954068 -2.840351 ESP Fit Center 3937 is at 1.519608 -2.364283 -2.840351 ESP Fit Center 3938 is at 1.591939 -2.774498 -2.840351 ESP Fit Center 3939 is at 1.800211 -3.135234 -2.840351 ESP Fit Center 3940 is at 2.119301 -3.402983 -2.840351 ESP Fit Center 3941 is at 2.510724 -3.545449 -2.840351 ESP Fit Center 3942 is at 2.927266 -3.545449 -2.840351 ESP Fit Center 3943 is at 3.318689 -3.402983 -2.840351 ESP Fit Center 3944 is at 3.637779 -3.135234 -2.840351 ESP Fit Center 3945 is at 3.846050 -2.774498 -2.840351 ESP Fit Center 3946 is at 3.537238 -2.364283 -3.007536 ESP Fit Center 3947 is at 3.427614 -1.955162 -3.007536 ESP Fit Center 3948 is at 3.128116 -1.655664 -3.007536 ESP Fit Center 3949 is at 2.718995 -1.546040 -3.007536 ESP Fit Center 3950 is at 2.309874 -1.655664 -3.007536 ESP Fit Center 3951 is at 2.010376 -1.955162 -3.007536 ESP Fit Center 3952 is at 1.900752 -2.364283 -3.007536 ESP Fit Center 3953 is at 2.010376 -2.773404 -3.007536 ESP Fit Center 3954 is at 2.309874 -3.072902 -3.007536 ESP Fit Center 3955 is at 2.718995 -3.182526 -3.007536 ESP Fit Center 3956 is at 3.128116 -3.072902 -3.007536 ESP Fit Center 3957 is at 3.427614 -2.773404 -3.007536 ESP Fit Center 3958 is at 3.133773 -2.364283 -3.109707 ESP Fit Center 3959 is at 2.926384 -2.005074 -3.109707 ESP Fit Center 3960 is at 2.511606 -2.005074 -3.109707 ESP Fit Center 3961 is at 2.304217 -2.364283 -3.109707 ESP Fit Center 3962 is at 2.511606 -2.723492 -3.109707 ESP Fit Center 3963 is at 2.926384 -2.723492 -3.109707 ESP Fit Center 3964 is at 2.718995 -2.364283 -3.144077 ESP Fit Center 3965 is at -0.785434 2.651102 2.355421 ESP Fit Center 3966 is at -0.578045 3.010310 2.321052 ESP Fit Center 3967 is at -0.992823 3.010310 2.321052 ESP Fit Center 3968 is at -0.076815 3.060223 2.218881 ESP Fit Center 3969 is at -0.376313 3.359721 2.218881 ESP Fit Center 3970 is at -0.785434 3.469344 2.218881 ESP Fit Center 3971 is at -1.194555 3.359721 2.218881 ESP Fit Center 3972 is at 0.133350 3.422053 2.051695 ESP Fit Center 3973 is at -0.185740 3.689802 2.051695 ESP Fit Center 3974 is at -0.577162 3.832268 2.051695 ESP Fit Center 3975 is at -0.993705 3.832268 2.051695 ESP Fit Center 3976 is at -1.385128 3.689802 2.051695 ESP Fit Center 3977 is at -1.704218 3.422053 2.051695 ESP Fit Center 3978 is at 0.271033 3.782301 1.824055 ESP Fit Center 3979 is at -0.073338 4.025385 1.824055 ESP Fit Center 3980 is at -0.470521 4.166544 1.824055 ESP Fit Center 3981 is at -0.891061 4.195310 1.824055 ESP Fit Center 3982 is at -1.303766 4.109548 1.824055 ESP Fit Center 3983 is at -1.678029 3.915621 1.824055 ESP Fit Center 3984 is at -1.986092 3.627910 1.824055 ESP Fit Center 3985 is at 0.321713 4.138258 1.542171 ESP Fit Center 3986 is at -0.051092 4.353497 1.542171 ESP Fit Center 3987 is at -0.463486 4.476959 1.542171 ESP Fit Center 3988 is at -0.893236 4.501989 1.542171 ESP Fit Center 3989 is at -1.317174 4.427238 1.542171 ESP Fit Center 3990 is at -1.712446 4.256734 1.542171 ESP Fit Center 3991 is at -2.057743 3.999670 1.542171 ESP Fit Center 3992 is at -2.334449 3.669905 1.542171 ESP Fit Center 3993 is at 0.330500 4.441452 1.213731 ESP Fit Center 3994 is at -0.052738 4.629440 1.213731 ESP Fit Center 3995 is at -0.465973 4.736433 1.213731 ESP Fit Center 3996 is at -0.892286 4.758054 1.213731 ESP Fit Center 3997 is at -1.314225 4.693415 1.213731 ESP Fit Center 3998 is at -1.714516 4.545164 1.213731 ESP Fit Center 3999 is at -2.076769 4.319369 1.213731 ESP Fit Center 4000 is at -2.386155 4.025276 1.213731 ESP Fit Center 4001 is at -2.630008 3.674924 1.213731 ESP Fit Center 4002 is at 0.243218 4.716914 0.847694 ESP Fit Center 4003 is at -0.153888 4.870754 0.847694 ESP Fit Center 4004 is at -0.572502 4.949006 0.847694 ESP Fit Center 4005 is at -0.998366 4.949006 0.847694 ESP Fit Center 4006 is at -1.416979 4.870754 0.847694 ESP Fit Center 4007 is at -1.814086 4.716914 0.847694 ESP Fit Center 4008 is at -2.176163 4.492725 0.847694 ESP Fit Center 4009 is at -2.490881 4.205822 0.847694 ESP Fit Center 4010 is at -2.747521 3.865975 0.847694 ESP Fit Center 4011 is at 0.436010 4.766705 0.454045 ESP Fit Center 4012 is at 0.050083 4.946666 0.454045 ESP Fit Center 4013 is at -0.361231 5.056878 0.454045 ESP Fit Center 4014 is at -0.785434 5.093991 0.454045 ESP Fit Center 4015 is at -1.209637 5.056878 0.454045 ESP Fit Center 4016 is at -1.620951 4.946666 0.454045 ESP Fit Center 4017 is at -2.006878 4.766705 0.454045 ESP Fit Center 4018 is at -2.355692 4.522463 0.454045 ESP Fit Center 4019 is at -2.656795 4.221360 0.454045 ESP Fit Center 4020 is at -2.901038 3.872546 0.454045 ESP Fit Center 4021 is at 0.150955 4.981396 0.043521 ESP Fit Center 4022 is at -0.256335 5.106127 0.043521 ESP Fit Center 4023 is at -0.678847 5.160232 0.043521 ESP Fit Center 4024 is at -1.104426 5.142154 0.043521 ESP Fit Center 4025 is at -1.520827 5.052412 0.043521 ESP Fit Center 4026 is at -1.916072 4.893590 0.043521 ESP Fit Center 4027 is at -2.278791 4.670255 0.043521 ESP Fit Center 4028 is at -2.598549 4.388832 0.043521 ESP Fit Center 4029 is at -2.866147 4.057419 0.043521 ESP Fit Center 4030 is at 0.150955 4.981396 -0.372679 ESP Fit Center 4031 is at -0.256335 5.106127 -0.372679 ESP Fit Center 4032 is at -0.678847 5.160232 -0.372679 ESP Fit Center 4033 is at -1.104426 5.142154 -0.372679 ESP Fit Center 4034 is at -1.520827 5.052412 -0.372679 ESP Fit Center 4035 is at -1.916072 4.893590 -0.372679 ESP Fit Center 4036 is at -2.278791 4.670255 -0.372679 ESP Fit Center 4037 is at -2.598549 4.388832 -0.372679 ESP Fit Center 4038 is at -2.866147 4.057419 -0.372679 ESP Fit Center 4039 is at 0.050083 4.946666 -0.783202 ESP Fit Center 4040 is at -0.361231 5.056878 -0.783202 ESP Fit Center 4041 is at -0.785434 5.093991 -0.783202 ESP Fit Center 4042 is at -1.209637 5.056878 -0.783202 ESP Fit Center 4043 is at -1.620951 4.946666 -0.783202 ESP Fit Center 4044 is at -2.006878 4.766705 -0.783202 ESP Fit Center 4045 is at -2.355692 4.522463 -0.783202 ESP Fit Center 4046 is at -2.656795 4.221360 -0.783202 ESP Fit Center 4047 is at 0.243218 4.716914 -1.176851 ESP Fit Center 4048 is at -0.153888 4.870754 -1.176851 ESP Fit Center 4049 is at -0.572502 4.949006 -1.176851 ESP Fit Center 4050 is at -0.998366 4.949006 -1.176851 ESP Fit Center 4051 is at -1.416979 4.870754 -1.176851 ESP Fit Center 4052 is at -1.814086 4.716914 -1.176851 ESP Fit Center 4053 is at -2.176163 4.492725 -1.176851 ESP Fit Center 4054 is at -2.490881 4.205822 -1.176851 ESP Fit Center 4055 is at -2.747521 3.865975 -1.176851 ESP Fit Center 4056 is at 0.330500 4.441452 -1.542888 ESP Fit Center 4057 is at -0.052738 4.629440 -1.542888 ESP Fit Center 4058 is at -0.465973 4.736433 -1.542888 ESP Fit Center 4059 is at -0.892286 4.758054 -1.542888 ESP Fit Center 4060 is at -1.314225 4.693415 -1.542888 ESP Fit Center 4061 is at -1.714516 4.545164 -1.542888 ESP Fit Center 4062 is at -2.076769 4.319369 -1.542888 ESP Fit Center 4063 is at -2.386155 4.025276 -1.542888 ESP Fit Center 4064 is at -2.630008 3.674924 -1.542888 ESP Fit Center 4065 is at 0.321713 4.138258 -1.871328 ESP Fit Center 4066 is at -0.051092 4.353497 -1.871328 ESP Fit Center 4067 is at -0.463486 4.476959 -1.871328 ESP Fit Center 4068 is at -0.893236 4.501989 -1.871328 ESP Fit Center 4069 is at -1.317174 4.427238 -1.871328 ESP Fit Center 4070 is at -1.712446 4.256734 -1.871328 ESP Fit Center 4071 is at -2.057743 3.999670 -1.871328 ESP Fit Center 4072 is at -2.334449 3.669905 -1.871328 ESP Fit Center 4073 is at -2.527647 3.285215 -1.871328 ESP Fit Center 4074 is at 0.271033 3.782301 -2.153213 ESP Fit Center 4075 is at -0.073338 4.025385 -2.153213 ESP Fit Center 4076 is at -0.470521 4.166544 -2.153213 ESP Fit Center 4077 is at -0.891061 4.195310 -2.153213 ESP Fit Center 4078 is at -1.303766 4.109548 -2.153213 ESP Fit Center 4079 is at -1.678029 3.915621 -2.153213 ESP Fit Center 4080 is at -1.986092 3.627910 -2.153213 ESP Fit Center 4081 is at -2.205108 3.267753 -2.153213 ESP Fit Center 4082 is at -2.318834 2.861863 -2.153213 ESP Fit Center 4083 is at 0.133350 3.422053 -2.380853 ESP Fit Center 4084 is at -0.185740 3.689802 -2.380853 ESP Fit Center 4085 is at -0.577162 3.832268 -2.380853 ESP Fit Center 4086 is at -0.993705 3.832268 -2.380853 ESP Fit Center 4087 is at -1.385128 3.689802 -2.380853 ESP Fit Center 4088 is at -1.704218 3.422053 -2.380853 ESP Fit Center 4089 is at -1.912489 3.061316 -2.380853 ESP Fit Center 4090 is at -1.984821 2.651102 -2.380853 ESP Fit Center 4091 is at -1.912489 2.240887 -2.380853 ESP Fit Center 4092 is at -1.704218 1.880150 -2.380853 ESP Fit Center 4093 is at -0.076815 3.060223 -2.548038 ESP Fit Center 4094 is at -0.376313 3.359721 -2.548038 ESP Fit Center 4095 is at -0.785434 3.469344 -2.548038 ESP Fit Center 4096 is at -1.194555 3.359721 -2.548038 ESP Fit Center 4097 is at -1.494053 3.060223 -2.548038 ESP Fit Center 4098 is at -1.603677 2.651102 -2.548038 ESP Fit Center 4099 is at -1.494053 2.241981 -2.548038 ESP Fit Center 4100 is at -1.194555 1.942483 -2.548038 ESP Fit Center 4101 is at -0.578045 3.010310 -2.650209 ESP Fit Center 4102 is at -0.992823 3.010310 -2.650209 ESP Fit Center 4103 is at -1.200212 2.651102 -2.650209 ESP Fit Center 4104 is at -0.992823 2.291893 -2.650209 ESP Fit Center 4105 is at -0.785434 2.651102 -2.684579 ESP Fit Center 4106 is at 0.069879 1.759783 2.549585 ESP Fit Center 4107 is at 0.492252 1.759783 2.516343 ESP Fit Center 4108 is at 0.281066 2.125569 2.516343 ESP Fit Center 4109 is at -0.141307 2.125569 2.516343 ESP Fit Center 4110 is at -0.352494 1.759783 2.516343 ESP Fit Center 4111 is at -0.141307 1.393997 2.516343 ESP Fit Center 4112 is at 0.281066 1.393997 2.516343 ESP Fit Center 4113 is at 0.487052 2.482348 2.417437 ESP Fit Center 4114 is at 0.069879 2.594129 2.417437 ESP Fit Center 4115 is at -0.347294 2.482348 2.417437 ESP Fit Center 4116 is at -0.652686 2.176956 2.417437 ESP Fit Center 4117 is at 0.792444 1.342610 2.417437 ESP Fit Center 4118 is at 0.282733 2.966935 2.255302 ESP Fit Center 4119 is at -0.142974 2.966935 2.255302 ESP Fit Center 4120 is at 0.480630 3.292727 2.033930 ESP Fit Center 4121 is at -1.463065 1.349032 -2.334761 ESP Fit Center 4122 is at 0.282733 2.966935 -2.556133 ESP Fit Center 4123 is at -1.155895 1.759783 -2.556133 ESP Fit Center 4124 is at -1.081972 1.340544 -2.556133 ESP Fit Center 4125 is at 0.487052 2.482348 -2.718268 ESP Fit Center 4126 is at 0.069879 2.594129 -2.718268 ESP Fit Center 4127 is at -0.347294 2.482348 -2.718268 ESP Fit Center 4128 is at -0.652686 2.176956 -2.718268 ESP Fit Center 4129 is at -0.764467 1.759783 -2.718268 ESP Fit Center 4130 is at -0.652686 1.342610 -2.718268 ESP Fit Center 4131 is at -0.347294 1.037218 -2.718268 ESP Fit Center 4132 is at 0.069879 0.925437 -2.718268 ESP Fit Center 4133 is at 0.487052 1.037218 -2.718268 ESP Fit Center 4134 is at 0.492252 1.759783 -2.817174 ESP Fit Center 4135 is at 0.281066 2.125569 -2.817174 ESP Fit Center 4136 is at -0.141307 2.125569 -2.817174 ESP Fit Center 4137 is at -0.352494 1.759783 -2.817174 ESP Fit Center 4138 is at -0.141307 1.393997 -2.817174 ESP Fit Center 4139 is at 0.281066 1.393997 -2.817174 ESP Fit Center 4140 is at 0.069879 1.759783 -2.850415 ESP Fit Center 4141 is at 1.411788 2.071848 2.503608 ESP Fit Center 4142 is at 1.834161 2.071848 2.470367 ESP Fit Center 4143 is at 1.622974 2.437634 2.470367 ESP Fit Center 4144 is at 1.200601 2.437634 2.470367 ESP Fit Center 4145 is at 0.989415 2.071848 2.470367 ESP Fit Center 4146 is at 1.200601 1.706063 2.470367 ESP Fit Center 4147 is at 1.622974 1.706063 2.470367 ESP Fit Center 4148 is at 2.246134 2.071848 2.371461 ESP Fit Center 4149 is at 2.134352 2.489021 2.371461 ESP Fit Center 4150 is at 1.828961 2.794413 2.371461 ESP Fit Center 4151 is at 1.411788 2.906194 2.371461 ESP Fit Center 4152 is at 0.994615 2.794413 2.371461 ESP Fit Center 4153 is at 0.994615 1.349284 2.371461 ESP Fit Center 4154 is at 1.411788 1.237503 2.371461 ESP Fit Center 4155 is at 2.563639 2.491088 2.209326 ESP Fit Center 4156 is at 2.350785 2.859761 2.209326 ESP Fit Center 4157 is at 2.024675 3.133400 2.209326 ESP Fit Center 4158 is at 1.624641 3.279001 2.209326 ESP Fit Center 4159 is at 1.198934 3.279001 2.209326 ESP Fit Center 4160 is at 0.798900 3.133400 2.209326 ESP Fit Center 4161 is at 2.786187 2.865359 1.987954 ESP Fit Center 4162 is at 2.533980 3.194041 1.987954 ESP Fit Center 4163 is at 2.205298 3.446248 1.987954 ESP Fit Center 4164 is at 1.822539 3.604792 1.987954 ESP Fit Center 4165 is at 1.411788 3.658869 1.987954 ESP Fit Center 4166 is at 1.001037 3.604792 1.987954 ESP Fit Center 4167 is at 0.618278 3.446248 1.987954 ESP Fit Center 4168 is at 2.904451 3.262208 1.712797 ESP Fit Center 4169 is at 2.602147 3.564512 1.712797 ESP Fit Center 4170 is at 0.986953 3.933169 1.712797 ESP Fit Center 4171 is at 0.583422 3.791968 1.712797 ESP Fit Center 4172 is at 2.992673 3.579220 1.390629 ESP Fit Center 4173 is at 0.697358 4.136057 1.390629 ESP Fit Center 4174 is at 2.904451 3.262208 -2.105580 ESP Fit Center 4175 is at 0.583422 3.791968 -2.105580 ESP Fit Center 4176 is at 2.786187 2.865359 -2.380737 ESP Fit Center 4177 is at 2.533980 3.194041 -2.380737 ESP Fit Center 4178 is at 2.205298 3.446248 -2.380737 ESP Fit Center 4179 is at 1.822539 3.604792 -2.380737 ESP Fit Center 4180 is at 1.411788 3.658869 -2.380737 ESP Fit Center 4181 is at 1.001037 3.604792 -2.380737 ESP Fit Center 4182 is at 0.618278 3.446248 -2.380737 ESP Fit Center 4183 is at 2.563639 2.491088 -2.602109 ESP Fit Center 4184 is at 2.350785 2.859761 -2.602109 ESP Fit Center 4185 is at 2.024675 3.133400 -2.602109 ESP Fit Center 4186 is at 1.624641 3.279001 -2.602109 ESP Fit Center 4187 is at 1.198934 3.279001 -2.602109 ESP Fit Center 4188 is at 0.798900 3.133400 -2.602109 ESP Fit Center 4189 is at 0.472790 2.859761 -2.602109 ESP Fit Center 4190 is at 1.198934 0.864696 -2.602109 ESP Fit Center 4191 is at 2.246134 2.071848 -2.764244 ESP Fit Center 4192 is at 2.134352 2.489021 -2.764244 ESP Fit Center 4193 is at 1.828961 2.794413 -2.764244 ESP Fit Center 4194 is at 1.411788 2.906194 -2.764244 ESP Fit Center 4195 is at 0.994615 2.794413 -2.764244 ESP Fit Center 4196 is at 0.689223 2.489021 -2.764244 ESP Fit Center 4197 is at 0.994615 1.349284 -2.764244 ESP Fit Center 4198 is at 1.411788 1.237503 -2.764244 ESP Fit Center 4199 is at 1.834161 2.071848 -2.863150 ESP Fit Center 4200 is at 1.622974 2.437634 -2.863150 ESP Fit Center 4201 is at 1.200601 2.437634 -2.863150 ESP Fit Center 4202 is at 0.989415 2.071848 -2.863150 ESP Fit Center 4203 is at 1.200601 1.706063 -2.863150 ESP Fit Center 4204 is at 1.622974 1.706063 -2.863150 ESP Fit Center 4205 is at 1.411788 2.071848 -2.896392 ESP Fit Center 4206 is at 2.469054 1.176705 2.517549 ESP Fit Center 4207 is at 2.891427 1.176705 2.484307 ESP Fit Center 4208 is at 2.680241 1.542490 2.484307 ESP Fit Center 4209 is at 2.257868 1.542490 2.484307 ESP Fit Center 4210 is at 2.046681 1.176705 2.484307 ESP Fit Center 4211 is at 2.257868 0.810919 2.484307 ESP Fit Center 4212 is at 3.191619 1.593878 2.385401 ESP Fit Center 4213 is at 2.886227 1.899269 2.385401 ESP Fit Center 4214 is at 2.469054 2.011050 2.385401 ESP Fit Center 4215 is at 1.634709 1.176705 2.385401 ESP Fit Center 4216 is at 3.081942 2.238256 2.223266 ESP Fit Center 4217 is at 2.681908 2.383857 2.223266 ESP Fit Center 4218 is at 2.879805 2.709648 2.001894 ESP Fit Center 4219 is at 2.681908 2.383857 -2.588169 ESP Fit Center 4220 is at 1.317203 0.757465 -2.588169 ESP Fit Center 4221 is at 3.408052 0.388792 -2.588169 ESP Fit Center 4222 is at 3.303400 1.176705 -2.750304 ESP Fit Center 4223 is at 3.191619 1.593878 -2.750304 ESP Fit Center 4224 is at 2.886227 1.899269 -2.750304 ESP Fit Center 4225 is at 2.469054 2.011050 -2.750304 ESP Fit Center 4226 is at 1.634709 1.176705 -2.750304 ESP Fit Center 4227 is at 1.746490 0.759532 -2.750304 ESP Fit Center 4228 is at 2.886227 0.454140 -2.750304 ESP Fit Center 4229 is at 3.191619 0.759532 -2.750304 ESP Fit Center 4230 is at 2.891427 1.176705 -2.849210 ESP Fit Center 4231 is at 2.680241 1.542490 -2.849210 ESP Fit Center 4232 is at 2.257868 1.542490 -2.849210 ESP Fit Center 4233 is at 2.046681 1.176705 -2.849210 ESP Fit Center 4234 is at 2.257868 0.810919 -2.849210 ESP Fit Center 4235 is at 2.680241 0.810919 -2.849210 ESP Fit Center 4236 is at 2.469054 1.176705 -2.882451 ESP Fit Center 4237 is at 3.624919 1.553726 2.288348 ESP Fit Center 4238 is at 3.832308 1.912935 2.253979 ESP Fit Center 4239 is at 3.417530 1.912935 2.253979 ESP Fit Center 4240 is at 4.333538 1.962847 2.151808 ESP Fit Center 4241 is at 4.034040 2.262345 2.151808 ESP Fit Center 4242 is at 3.624919 2.371969 2.151808 ESP Fit Center 4243 is at 4.824307 1.553726 1.984622 ESP Fit Center 4244 is at 4.751975 1.963941 1.984622 ESP Fit Center 4245 is at 4.543703 2.324677 1.984622 ESP Fit Center 4246 is at 4.224613 2.592426 1.984622 ESP Fit Center 4247 is at 3.833191 2.734892 1.984622 ESP Fit Center 4248 is at 3.416648 2.734892 1.984622 ESP Fit Center 4249 is at 5.172735 1.553726 1.756983 ESP Fit Center 4250 is at 5.115338 1.971322 1.756983 ESP Fit Center 4251 is at 4.947403 2.357946 1.756983 ESP Fit Center 4252 is at 4.681386 2.684926 1.756983 ESP Fit Center 4253 is at 4.337015 2.928009 1.756983 ESP Fit Center 4254 is at 3.939832 3.069168 1.756983 ESP Fit Center 4255 is at 3.519292 3.097934 1.756983 ESP Fit Center 4256 is at 3.106587 3.012173 1.756983 ESP Fit Center 4257 is at 5.478943 1.553726 1.475098 ESP Fit Center 4258 is at 5.428968 1.981294 1.475098 ESP Fit Center 4259 is at 5.281736 2.385811 1.475098 ESP Fit Center 4260 is at 5.045184 2.745470 1.475098 ESP Fit Center 4261 is at 4.732066 3.040882 1.475098 ESP Fit Center 4262 is at 4.359261 3.256121 1.475098 ESP Fit Center 4263 is at 3.946867 3.379584 1.475098 ESP Fit Center 4264 is at 3.517117 3.404614 1.475098 ESP Fit Center 4265 is at 5.734579 1.553726 1.146658 ESP Fit Center 4266 is at 5.691394 1.978397 1.146658 ESP Fit Center 4267 is at 5.563607 2.385683 1.146658 ESP Fit Center 4268 is at 5.356451 2.758908 1.146658 ESP Fit Center 4269 is at 5.078405 3.082792 1.146658 ESP Fit Center 4270 is at 4.740853 3.344077 1.146658 ESP Fit Center 4271 is at 4.357615 3.532064 1.146658 ESP Fit Center 4272 is at 3.944380 3.639058 1.146658 ESP Fit Center 4273 is at 3.518067 3.660678 1.146658 ESP Fit Center 4274 is at 5.691394 1.129055 1.146658 ESP Fit Center 4275 is at 5.932668 1.553726 0.780621 ESP Fit Center 4276 is at 5.893374 1.977774 0.780621 ESP Fit Center 4277 is at 5.776831 2.387381 0.780621 ESP Fit Center 4278 is at 5.587007 2.768599 0.780621 ESP Fit Center 4279 is at 5.330366 3.108446 0.780621 ESP Fit Center 4280 is at 5.015648 3.395349 0.780621 ESP Fit Center 4281 is at 4.653571 3.619538 0.780621 ESP Fit Center 4282 is at 4.256465 3.773378 0.780621 ESP Fit Center 4283 is at 3.837851 3.851630 0.780621 ESP Fit Center 4284 is at 3.411987 3.851630 0.780621 ESP Fit Center 4285 is at 5.776831 0.720071 0.780621 ESP Fit Center 4286 is at 5.893374 1.129678 0.780621 ESP Fit Center 4287 is at 6.067808 1.553726 0.386972 ESP Fit Center 4288 is at 6.030695 1.977929 0.386972 ESP Fit Center 4289 is at 5.920484 2.389243 0.386972 ESP Fit Center 4290 is at 5.740523 2.775170 0.386972 ESP Fit Center 4291 is at 5.496280 3.123985 0.386972 ESP Fit Center 4292 is at 5.195178 3.425087 0.386972 ESP Fit Center 4293 is at 4.846363 3.669330 0.386972 ESP Fit Center 4294 is at 4.460436 3.849291 0.386972 ESP Fit Center 4295 is at 4.049122 3.959502 0.386972 ESP Fit Center 4296 is at 3.624919 3.996615 0.386972 ESP Fit Center 4297 is at 5.740523 0.332282 0.386972 ESP Fit Center 4298 is at 5.920484 0.718209 0.386972 ESP Fit Center 4299 is at 6.030695 1.129523 0.386972 ESP Fit Center 4300 is at 6.136312 1.553726 -0.023552 ESP Fit Center 4301 is at 6.100188 1.978154 -0.023552 ESP Fit Center 4302 is at 5.992855 2.390371 -0.023552 ESP Fit Center 4303 is at 5.817401 2.778520 -0.023552 ESP Fit Center 4304 is at 5.578873 3.131433 -0.023552 ESP Fit Center 4305 is at 5.284133 3.438959 -0.023552 ESP Fit Center 4306 is at 4.941661 3.692250 -0.023552 ESP Fit Center 4307 is at 4.561308 3.884020 -0.023552 ESP Fit Center 4308 is at 4.154018 4.008751 -0.023552 ESP Fit Center 4309 is at 3.731506 4.062856 -0.023552 ESP Fit Center 4310 is at 5.817401 0.328932 -0.023552 ESP Fit Center 4311 is at 5.992855 0.717081 -0.023552 ESP Fit Center 4312 is at 6.100188 1.129299 -0.023552 ESP Fit Center 4313 is at 6.136312 1.553726 -0.439751 ESP Fit Center 4314 is at 6.100188 1.978154 -0.439751 ESP Fit Center 4315 is at 5.992855 2.390371 -0.439751 ESP Fit Center 4316 is at 5.817401 2.778520 -0.439751 ESP Fit Center 4317 is at 5.578873 3.131433 -0.439751 ESP Fit Center 4318 is at 5.284133 3.438959 -0.439751 ESP Fit Center 4319 is at 4.941661 3.692250 -0.439751 ESP Fit Center 4320 is at 4.561308 3.884020 -0.439751 ESP Fit Center 4321 is at 4.154018 4.008751 -0.439751 ESP Fit Center 4322 is at 3.731506 4.062856 -0.439751 ESP Fit Center 4323 is at 5.992855 0.717081 -0.439751 ESP Fit Center 4324 is at 6.100188 1.129299 -0.439751 ESP Fit Center 4325 is at 6.067808 1.553726 -0.850275 ESP Fit Center 4326 is at 6.030695 1.977929 -0.850275 ESP Fit Center 4327 is at 5.920484 2.389243 -0.850275 ESP Fit Center 4328 is at 5.740523 2.775170 -0.850275 ESP Fit Center 4329 is at 5.496280 3.123985 -0.850275 ESP Fit Center 4330 is at 5.195178 3.425087 -0.850275 ESP Fit Center 4331 is at 4.846363 3.669330 -0.850275 ESP Fit Center 4332 is at 4.460436 3.849291 -0.850275 ESP Fit Center 4333 is at 4.049122 3.959502 -0.850275 ESP Fit Center 4334 is at 3.624919 3.996615 -0.850275 ESP Fit Center 4335 is at 5.920484 0.718209 -0.850275 ESP Fit Center 4336 is at 6.030695 1.129523 -0.850275 ESP Fit Center 4337 is at 5.932668 1.553726 -1.243924 ESP Fit Center 4338 is at 5.893374 1.977774 -1.243924 ESP Fit Center 4339 is at 5.776831 2.387381 -1.243924 ESP Fit Center 4340 is at 5.587007 2.768599 -1.243924 ESP Fit Center 4341 is at 5.330366 3.108446 -1.243924 ESP Fit Center 4342 is at 5.015648 3.395349 -1.243924 ESP Fit Center 4343 is at 4.653571 3.619538 -1.243924 ESP Fit Center 4344 is at 4.256465 3.773378 -1.243924 ESP Fit Center 4345 is at 3.837851 3.851630 -1.243924 ESP Fit Center 4346 is at 5.776831 0.720071 -1.243924 ESP Fit Center 4347 is at 5.893374 1.129678 -1.243924 ESP Fit Center 4348 is at 5.734579 1.553726 -1.609961 ESP Fit Center 4349 is at 5.691394 1.978397 -1.609961 ESP Fit Center 4350 is at 5.563607 2.385683 -1.609961 ESP Fit Center 4351 is at 5.356451 2.758908 -1.609961 ESP Fit Center 4352 is at 5.078405 3.082792 -1.609961 ESP Fit Center 4353 is at 4.740853 3.344077 -1.609961 ESP Fit Center 4354 is at 4.357615 3.532064 -1.609961 ESP Fit Center 4355 is at 3.944380 3.639058 -1.609961 ESP Fit Center 4356 is at 3.518067 3.660678 -1.609961 ESP Fit Center 4357 is at 5.563607 0.721770 -1.609961 ESP Fit Center 4358 is at 5.691394 1.129055 -1.609961 ESP Fit Center 4359 is at 5.478943 1.553726 -1.938401 ESP Fit Center 4360 is at 5.428968 1.981294 -1.938401 ESP Fit Center 4361 is at 5.281736 2.385811 -1.938401 ESP Fit Center 4362 is at 5.045184 2.745470 -1.938401 ESP Fit Center 4363 is at 4.732066 3.040882 -1.938401 ESP Fit Center 4364 is at 4.359261 3.256121 -1.938401 ESP Fit Center 4365 is at 3.946867 3.379584 -1.938401 ESP Fit Center 4366 is at 3.517117 3.404614 -1.938401 ESP Fit Center 4367 is at 3.093179 3.329862 -1.938401 ESP Fit Center 4368 is at 5.281736 0.721642 -1.938401 ESP Fit Center 4369 is at 5.428968 1.126159 -1.938401 ESP Fit Center 4370 is at 5.172735 1.553726 -2.220286 ESP Fit Center 4371 is at 5.115338 1.971322 -2.220286 ESP Fit Center 4372 is at 4.947403 2.357946 -2.220286 ESP Fit Center 4373 is at 4.681386 2.684926 -2.220286 ESP Fit Center 4374 is at 4.337015 2.928009 -2.220286 ESP Fit Center 4375 is at 3.939832 3.069168 -2.220286 ESP Fit Center 4376 is at 3.519292 3.097934 -2.220286 ESP Fit Center 4377 is at 3.106587 3.012173 -2.220286 ESP Fit Center 4378 is at 4.947403 0.749506 -2.220286 ESP Fit Center 4379 is at 5.115338 1.136130 -2.220286 ESP Fit Center 4380 is at 4.824307 1.553726 -2.447925 ESP Fit Center 4381 is at 4.751975 1.963941 -2.447925 ESP Fit Center 4382 is at 4.543703 2.324677 -2.447925 ESP Fit Center 4383 is at 4.224613 2.592426 -2.447925 ESP Fit Center 4384 is at 3.833191 2.734892 -2.447925 ESP Fit Center 4385 is at 3.416648 2.734892 -2.447925 ESP Fit Center 4386 is at 3.025225 2.592426 -2.447925 ESP Fit Center 4387 is at 4.224613 0.515026 -2.447925 ESP Fit Center 4388 is at 4.543703 0.782775 -2.447925 ESP Fit Center 4389 is at 4.751975 1.143511 -2.447925 ESP Fit Center 4390 is at 4.443162 1.553726 -2.615111 ESP Fit Center 4391 is at 4.333538 1.962847 -2.615111 ESP Fit Center 4392 is at 4.034040 2.262345 -2.615111 ESP Fit Center 4393 is at 3.624919 2.371969 -2.615111 ESP Fit Center 4394 is at 3.215798 2.262345 -2.615111 ESP Fit Center 4395 is at 3.624919 0.735483 -2.615111 ESP Fit Center 4396 is at 4.034040 0.845107 -2.615111 ESP Fit Center 4397 is at 4.333538 1.144605 -2.615111 ESP Fit Center 4398 is at 4.039697 1.553726 -2.717282 ESP Fit Center 4399 is at 3.832308 1.912935 -2.717282 ESP Fit Center 4400 is at 3.417530 1.912935 -2.717282 ESP Fit Center 4401 is at 3.417530 1.194517 -2.717282 ESP Fit Center 4402 is at 3.832308 1.194517 -2.717282 ESP Fit Center 4403 is at 3.624919 1.553726 -2.751652 ESP Fit Center 4404 is at 1.904354 0.222926 2.547384 ESP Fit Center 4405 is at 1.693167 -0.142859 2.547384 ESP Fit Center 4406 is at 1.698367 0.579705 2.448478 ESP Fit Center 4407 is at 1.392975 0.274314 2.448478 ESP Fit Center 4408 is at 1.176543 0.645053 -2.525093 ESP Fit Center 4409 is at 2.949886 -0.142859 -2.687228 ESP Fit Center 4410 is at 1.392975 0.274314 -2.687228 ESP Fit Center 4411 is at 1.698367 -0.865424 -2.687228 ESP Fit Center 4412 is at 2.115540 -0.977205 -2.687228 ESP Fit Center 4413 is at 2.537913 -0.142859 -2.786134 ESP Fit Center 4414 is at 2.326727 0.222926 -2.786134 ESP Fit Center 4415 is at 1.904354 0.222926 -2.786134 ESP Fit Center 4416 is at 1.693167 -0.142859 -2.786134 ESP Fit Center 4417 is at 1.904354 -0.508645 -2.786134 ESP Fit Center 4418 is at 2.326727 -0.508645 -2.786134 ESP Fit Center 4419 is at 2.115540 -0.142859 -2.819375 ESP Fit Center 4420 is at 0.805235 -0.548973 2.636047 ESP Fit Center 4421 is at 1.227608 -0.548973 2.602806 ESP Fit Center 4422 is at 1.016421 -0.183187 2.602806 ESP Fit Center 4423 is at 0.594048 -0.183187 2.602806 ESP Fit Center 4424 is at 0.382862 -0.548973 2.602806 ESP Fit Center 4425 is at 0.594048 -0.914758 2.602806 ESP Fit Center 4426 is at 1.016421 -0.914758 2.602806 ESP Fit Center 4427 is at 1.222408 0.173592 2.503900 ESP Fit Center 4428 is at 0.805235 0.285373 2.503900 ESP Fit Center 4429 is at 0.082670 -0.966146 2.503900 ESP Fit Center 4430 is at 0.388062 -1.271537 2.503900 ESP Fit Center 4431 is at 0.805235 -1.383319 2.503900 ESP Fit Center 4432 is at 1.018088 0.658179 2.341765 ESP Fit Center 4433 is at -0.133763 -1.336885 2.341765 ESP Fit Center 4434 is at 0.192348 -1.610524 2.341765 ESP Fit Center 4435 is at 0.592381 -1.756125 2.341765 ESP Fit Center 4436 is at 0.011725 -1.923372 2.120393 ESP Fit Center 4437 is at 0.394484 -2.081916 2.120393 ESP Fit Center 4438 is at 0.805235 -2.135993 2.120393 ESP Fit Center 4439 is at 0.394484 -2.081916 -2.248299 ESP Fit Center 4440 is at 0.805235 -2.135993 -2.248299 ESP Fit Center 4441 is at 1.018088 0.658179 -2.469671 ESP Fit Center 4442 is at 0.192348 -1.610524 -2.469671 ESP Fit Center 4443 is at 0.592381 -1.756125 -2.469671 ESP Fit Center 4444 is at 1.018088 -1.756125 -2.469671 ESP Fit Center 4445 is at 0.805235 0.285373 -2.631805 ESP Fit Center 4446 is at -0.029111 -0.548973 -2.631805 ESP Fit Center 4447 is at 0.082670 -0.966146 -2.631805 ESP Fit Center 4448 is at 0.388062 -1.271537 -2.631805 ESP Fit Center 4449 is at 0.805235 -1.383319 -2.631805 ESP Fit Center 4450 is at 1.222408 -1.271537 -2.631805 ESP Fit Center 4451 is at 1.527799 -0.966146 -2.631805 ESP Fit Center 4452 is at 1.227608 -0.548973 -2.730711 ESP Fit Center 4453 is at 1.016421 -0.183187 -2.730711 ESP Fit Center 4454 is at 0.594048 -0.183187 -2.730711 ESP Fit Center 4455 is at 0.382862 -0.548973 -2.730711 ESP Fit Center 4456 is at 0.594048 -0.914758 -2.730711 ESP Fit Center 4457 is at 1.016421 -0.914758 -2.730711 ESP Fit Center 4458 is at 0.805235 -0.548973 -2.763953 ESP Fit Center 4459 is at -0.193515 0.340197 2.624942 ESP Fit Center 4460 is at 0.228858 0.340197 2.591700 ESP Fit Center 4461 is at 0.017672 0.705982 2.591700 ESP Fit Center 4462 is at -0.404701 0.705982 2.591700 ESP Fit Center 4463 is at 0.017672 -0.025589 2.591700 ESP Fit Center 4464 is at 0.640831 0.340197 2.492794 ESP Fit Center 4465 is at 0.529050 0.757370 2.492794 ESP Fit Center 4466 is at 0.223658 1.062761 2.492794 ESP Fit Center 4467 is at -0.193515 1.174543 2.492794 ESP Fit Center 4468 is at -0.610688 1.062761 2.492794 ESP Fit Center 4469 is at 0.958336 0.759436 2.330659 ESP Fit Center 4470 is at 0.640831 0.340197 -2.642911 ESP Fit Center 4471 is at 0.529050 0.757370 -2.642911 ESP Fit Center 4472 is at -0.916080 0.757370 -2.642911 ESP Fit Center 4473 is at -1.027861 0.340197 -2.642911 ESP Fit Center 4474 is at -0.916080 -0.076976 -2.642911 ESP Fit Center 4475 is at -0.193515 -0.494149 -2.642911 ESP Fit Center 4476 is at 0.228858 0.340197 -2.741817 ESP Fit Center 4477 is at 0.017672 0.705982 -2.741817 ESP Fit Center 4478 is at -0.404701 0.705982 -2.741817 ESP Fit Center 4479 is at -0.615888 0.340197 -2.741817 ESP Fit Center 4480 is at -0.404701 -0.025589 -2.741817 ESP Fit Center 4481 is at 0.017672 -0.025589 -2.741817 ESP Fit Center 4482 is at -0.193515 0.340197 -2.775058 ESP Fit Center 4483 is at 5.981314 -0.376878 0.087922 ESP Fit Center 4484 is at 5.852395 0.019893 0.087922 ESP Fit Center 4485 is at 6.147839 -0.791782 -0.317279 ESP Fit Center 4486 is at 6.107132 -0.378484 -0.317279 ESP Fit Center 4487 is at 5.986578 0.018931 -0.317279 ESP Fit Center 4488 is at 5.986578 -1.602496 -0.317279 ESP Fit Center 4489 is at 6.107132 -1.205081 -0.317279 ESP Fit Center 4490 is at 6.189342 -0.791782 -0.738674 ESP Fit Center 4491 is at 6.150308 -0.383000 -0.738674 ESP Fit Center 4492 is at 6.034617 0.011008 -0.738674 ESP Fit Center 4493 is at 5.846450 0.376002 -0.738674 ESP Fit Center 4494 is at 5.592608 -2.282353 -0.738674 ESP Fit Center 4495 is at 5.846450 -1.959567 -0.738674 ESP Fit Center 4496 is at 6.034617 -1.594573 -0.738674 ESP Fit Center 4497 is at 6.150308 -1.200565 -0.738674 ESP Fit Center 4498 is at 6.147839 -0.791782 -1.160070 ESP Fit Center 4499 is at 6.107132 -0.378484 -1.160070 ESP Fit Center 4500 is at 5.986578 0.018931 -1.160070 ESP Fit Center 4501 is at 5.790808 0.385191 -1.160070 ESP Fit Center 4502 is at 5.527345 -2.289786 -1.160070 ESP Fit Center 4503 is at 5.790808 -1.968756 -1.160070 ESP Fit Center 4504 is at 5.986578 -1.602496 -1.160070 ESP Fit Center 4505 is at 6.107132 -1.205081 -1.160070 ESP Fit Center 4506 is at 6.024922 -0.791782 -1.565271 ESP Fit Center 4507 is at 5.981314 -0.376878 -1.565271 ESP Fit Center 4508 is at 5.852395 0.019893 -1.565271 ESP Fit Center 4509 is at 5.643800 0.381190 -1.565271 ESP Fit Center 4510 is at 5.364646 -2.274787 -1.565271 ESP Fit Center 4511 is at 5.643800 -1.964755 -1.565271 ESP Fit Center 4512 is at 5.852395 -1.603458 -1.565271 ESP Fit Center 4513 is at 5.981314 -1.206687 -1.565271 ESP Fit Center 4514 is at 5.825317 -0.791782 -1.938706 ESP Fit Center 4515 is at 5.776906 -0.377602 -1.938706 ESP Fit Center 4516 is at 5.634284 0.014249 -1.938706 ESP Fit Center 4517 is at 5.405139 0.362648 -1.938706 ESP Fit Center 4518 is at 5.101824 -2.232375 -1.938706 ESP Fit Center 4519 is at 5.405139 -1.946213 -1.938706 ESP Fit Center 4520 is at 5.634284 -1.597814 -1.938706 ESP Fit Center 4521 is at 5.776906 -1.205963 -1.938706 ESP Fit Center 4522 is at 5.556693 -0.791782 -2.266025 ESP Fit Center 4523 is at 5.500055 -0.379708 -2.266025 ESP Fit Center 4524 is at 5.334340 0.001804 -2.266025 ESP Fit Center 4525 is at 5.071840 0.324460 -2.266025 ESP Fit Center 4526 is at 4.732023 -2.147895 -2.266025 ESP Fit Center 4527 is at 5.071840 -1.908025 -2.266025 ESP Fit Center 4528 is at 5.334340 -1.585369 -2.266025 ESP Fit Center 4529 is at 5.500055 -1.203857 -2.266025 ESP Fit Center 4530 is at 5.229374 -0.791782 -2.534649 ESP Fit Center 4531 is at 5.157003 -0.381347 -2.534649 ESP Fit Center 4532 is at 4.948620 -0.020417 -2.534649 ESP Fit Center 4533 is at 4.629358 0.247475 -2.534649 ESP Fit Center 4534 is at 4.237726 0.390018 -2.534649 ESP Fit Center 4535 is at 3.820959 0.390018 -2.534649 ESP Fit Center 4536 is at 3.429326 0.247475 -2.534649 ESP Fit Center 4537 is at 4.629358 -1.831040 -2.534649 ESP Fit Center 4538 is at 4.948620 -1.563148 -2.534649 ESP Fit Center 4539 is at 5.157003 -1.202218 -2.534649 ESP Fit Center 4540 is at 4.855939 -0.791782 -2.734254 ESP Fit Center 4541 is at 4.745196 -0.378484 -2.734254 ESP Fit Center 4542 is at 4.442640 -0.075929 -2.734254 ESP Fit Center 4543 is at 4.029342 0.034814 -2.734254 ESP Fit Center 4544 is at 3.616044 -0.075929 -2.734254 ESP Fit Center 4545 is at 3.313489 -0.378484 -2.734254 ESP Fit Center 4546 is at 4.029342 -1.618379 -2.734254 ESP Fit Center 4547 is at 4.442640 -1.507636 -2.734254 ESP Fit Center 4548 is at 4.745196 -1.205081 -2.734254 ESP Fit Center 4549 is at 4.450737 -0.791782 -2.857171 ESP Fit Center 4550 is at 4.240040 -0.426844 -2.857171 ESP Fit Center 4551 is at 3.818645 -0.426844 -2.857171 ESP Fit Center 4552 is at 3.607947 -0.791782 -2.857171 ESP Fit Center 4553 is at 3.818645 -1.156721 -2.857171 ESP Fit Center 4554 is at 4.240040 -1.156721 -2.857171 ESP Fit Center 4555 is at 4.029342 -0.791782 -2.898674 ESP Fit Center 4556 is at 4.165307 -0.517512 3.883823 ESP Fit Center 4557 is at 4.586702 -0.517512 3.842319 ESP Fit Center 4558 is at 4.376005 -0.152573 3.842319 ESP Fit Center 4559 is at 3.954610 -0.152573 3.842319 ESP Fit Center 4560 is at 3.743912 -0.517512 3.842319 ESP Fit Center 4561 is at 4.991904 -0.517512 3.719403 ESP Fit Center 4562 is at 4.881161 -0.104214 3.719403 ESP Fit Center 4563 is at 4.578605 0.198342 3.719403 ESP Fit Center 4564 is at 4.165307 0.309085 3.719403 ESP Fit Center 4565 is at 3.752009 0.198342 3.719403 ESP Fit Center 4566 is at 3.449454 -0.104214 3.719403 ESP Fit Center 4567 is at 4.881161 -0.930810 3.719403 ESP Fit Center 4568 is at 5.365339 -0.517512 3.519797 ESP Fit Center 4569 is at 5.292968 -0.107077 3.519797 ESP Fit Center 4570 is at 5.084585 0.253854 3.519797 ESP Fit Center 4571 is at 4.765323 0.521746 3.519797 ESP Fit Center 4572 is at 4.373691 0.664289 3.519797 ESP Fit Center 4573 is at 3.956924 0.664289 3.519797 ESP Fit Center 4574 is at 3.565292 0.521746 3.519797 ESP Fit Center 4575 is at 3.246030 0.253854 3.519797 ESP Fit Center 4576 is at 5.292968 -0.927947 3.519797 ESP Fit Center 4577 is at 5.692658 -0.517512 3.251174 ESP Fit Center 4578 is at 5.636020 -0.105437 3.251174 ESP Fit Center 4579 is at 5.470305 0.276075 3.251174 ESP Fit Center 4580 is at 5.207805 0.598731 3.251174 ESP Fit Center 4581 is at 4.867988 0.838600 3.251174 ESP Fit Center 4582 is at 4.476056 0.977893 3.251174 ESP Fit Center 4583 is at 4.061077 1.006278 3.251174 ESP Fit Center 4584 is at 3.653829 0.921651 3.251174 ESP Fit Center 4585 is at 3.284514 0.730288 3.251174 ESP Fit Center 4586 is at 2.980524 0.446381 3.251174 ESP Fit Center 4587 is at 5.636020 -0.929586 3.251174 ESP Fit Center 4588 is at 5.961282 -0.517512 2.923855 ESP Fit Center 4589 is at 5.912871 -0.103331 2.923855 ESP Fit Center 4590 is at 5.770249 0.288520 2.923855 ESP Fit Center 4591 is at 5.541104 0.636918 2.923855 ESP Fit Center 4592 is at 5.237789 0.923081 2.923855 ESP Fit Center 4593 is at 4.876656 1.131581 2.923855 ESP Fit Center 4594 is at 4.477175 1.251178 2.923855 ESP Fit Center 4595 is at 4.060881 1.275424 2.923855 ESP Fit Center 4596 is at 3.650216 1.203013 2.923855 ESP Fit Center 4597 is at 3.267320 1.037848 2.923855 ESP Fit Center 4598 is at 2.932835 0.788833 2.923855 ESP Fit Center 4599 is at 2.664793 0.469392 2.923855 ESP Fit Center 4600 is at 5.912871 -0.931692 2.923855 ESP Fit Center 4601 is at 6.160887 -0.517512 2.550419 ESP Fit Center 4602 is at 6.117279 -0.102607 2.550419 ESP Fit Center 4603 is at 5.988360 0.294164 2.550419 ESP Fit Center 4604 is at 5.779765 0.655461 2.550419 ESP Fit Center 4605 is at 5.500611 0.965493 2.550419 ESP Fit Center 4606 is at 5.163097 1.210711 2.550419 ESP Fit Center 4607 is at 4.781975 1.380398 2.550419 ESP Fit Center 4608 is at 4.373902 1.467136 2.550419 ESP Fit Center 4609 is at 3.956712 1.467136 2.550419 ESP Fit Center 4610 is at 3.548639 1.380398 2.550419 ESP Fit Center 4611 is at 3.167517 1.210711 2.550419 ESP Fit Center 4612 is at 2.830004 0.965493 2.550419 ESP Fit Center 4613 is at 2.550849 0.655461 2.550419 ESP Fit Center 4614 is at 6.117279 -0.932416 2.550419 ESP Fit Center 4615 is at 6.283804 -0.517512 2.145218 ESP Fit Center 4616 is at 6.243097 -0.104214 2.145218 ESP Fit Center 4617 is at 6.122543 0.293202 2.145218 ESP Fit Center 4618 is at 5.926773 0.659462 2.145218 ESP Fit Center 4619 is at 5.663310 0.980491 2.145218 ESP Fit Center 4620 is at 5.342281 1.243954 2.145218 ESP Fit Center 4621 is at 4.976021 1.439724 2.145218 ESP Fit Center 4622 is at 4.578605 1.560278 2.145218 ESP Fit Center 4623 is at 6.325307 -0.517512 1.723823 ESP Fit Center 4624 is at 6.286273 -0.108729 1.723823 ESP Fit Center 4625 is at 6.170582 0.285279 1.723823 ESP Fit Center 4626 is at 5.982415 0.650273 1.723823 ESP Fit Center 4627 is at 5.728573 0.973059 1.723823 ESP Fit Center 4628 is at 5.418230 1.241972 1.723823 ESP Fit Center 4629 is at 6.243097 -0.104214 1.302428 ESP Fit Center 4630 is at 6.122543 0.293202 1.302428 ESP Fit Center 4631 is at 5.926773 0.659462 1.302428 ESP Fit Center 4632 is at 5.663310 0.980491 1.302428 ESP Fit Center 4633 is at 6.117279 -0.102607 0.897227 ESP Fit Center 4634 is at 5.988360 0.294164 0.897227 ESP Fit Center 4635 is at 5.779765 0.655461 0.897227 ESP Fit Center 4636 is at 5.770249 0.288520 0.523791 ESP Fit Center 4637 is at 5.284650 -2.588408 3.212603 ESP Fit Center 4638 is at 5.768829 -2.175110 3.012997 ESP Fit Center 4639 is at 4.777180 -3.356910 3.012997 ESP Fit Center 4640 is at 5.168813 -3.214368 3.012997 ESP Fit Center 4641 is at 5.488075 -2.946475 3.012997 ESP Fit Center 4642 is at 5.696458 -2.585545 3.012997 ESP Fit Center 4643 is at 6.096148 -2.175110 2.744374 ESP Fit Center 4644 is at 6.039509 -1.763035 2.744374 ESP Fit Center 4645 is at 4.464567 -3.698900 2.744374 ESP Fit Center 4646 is at 4.879546 -3.670514 2.744374 ESP Fit Center 4647 is at 5.271478 -3.531222 2.744374 ESP Fit Center 4648 is at 5.611295 -3.291352 2.744374 ESP Fit Center 4649 is at 5.873795 -2.968696 2.744374 ESP Fit Center 4650 is at 6.039509 -2.587184 2.744374 ESP Fit Center 4651 is at 6.364771 -2.175110 2.417055 ESP Fit Center 4652 is at 6.316361 -1.760929 2.417055 ESP Fit Center 4653 is at 4.053706 -3.895634 2.417055 ESP Fit Center 4654 is at 4.464370 -3.968045 2.417055 ESP Fit Center 4655 is at 4.880665 -3.943799 2.417055 ESP Fit Center 4656 is at 5.280146 -3.824202 2.417055 ESP Fit Center 4657 is at 5.641279 -3.615702 2.417055 ESP Fit Center 4658 is at 5.944593 -3.329540 2.417055 ESP Fit Center 4659 is at 6.173738 -2.981141 2.417055 ESP Fit Center 4660 is at 6.316361 -2.589290 2.417055 ESP Fit Center 4661 is at 6.564377 -2.175110 2.043619 ESP Fit Center 4662 is at 6.520769 -1.760205 2.043619 ESP Fit Center 4663 is at 6.391850 -1.363434 2.043619 ESP Fit Center 4664 is at 3.952129 -4.073019 2.043619 ESP Fit Center 4665 is at 4.360202 -4.159757 2.043619 ESP Fit Center 4666 is at 4.777392 -4.159757 2.043619 ESP Fit Center 4667 is at 5.185465 -4.073019 2.043619 ESP Fit Center 4668 is at 5.566587 -3.903332 2.043619 ESP Fit Center 4669 is at 5.904101 -3.658114 2.043619 ESP Fit Center 4670 is at 6.183255 -3.348082 2.043619 ESP Fit Center 4671 is at 6.391850 -2.986785 2.043619 ESP Fit Center 4672 is at 6.520769 -2.590014 2.043619 ESP Fit Center 4673 is at 6.687293 -2.175110 1.638418 ESP Fit Center 4674 is at 6.646587 -1.761811 1.638418 ESP Fit Center 4675 is at 6.526032 -1.364396 1.638418 ESP Fit Center 4676 is at 3.758084 -4.132345 1.638418 ESP Fit Center 4677 is at 4.155499 -4.252899 1.638418 ESP Fit Center 4678 is at 4.568797 -4.293606 1.638418 ESP Fit Center 4679 is at 4.982095 -4.252899 1.638418 ESP Fit Center 4680 is at 5.379510 -4.132345 1.638418 ESP Fit Center 4681 is at 5.745770 -3.936575 1.638418 ESP Fit Center 4682 is at 6.066800 -3.673113 1.638418 ESP Fit Center 4683 is at 6.330262 -3.352083 1.638418 ESP Fit Center 4684 is at 6.526032 -2.985823 1.638418 ESP Fit Center 4685 is at 6.646587 -2.588408 1.638418 ESP Fit Center 4686 is at 6.728797 -2.175110 1.217023 ESP Fit Center 4687 is at 6.689763 -1.766327 1.217023 ESP Fit Center 4688 is at 6.574072 -1.372319 1.217023 ESP Fit Center 4689 is at 3.862330 -4.216311 1.217023 ESP Fit Center 4690 is at 4.261397 -4.313124 1.217023 ESP Fit Center 4691 is at 4.671574 -4.332663 1.217023 ESP Fit Center 4692 is at 5.078036 -4.274223 1.217023 ESP Fit Center 4693 is at 5.466093 -4.139915 1.217023 ESP Fit Center 4694 is at 5.821720 -3.934594 1.217023 ESP Fit Center 4695 is at 6.132063 -3.665680 1.217023 ESP Fit Center 4696 is at 6.385905 -3.342894 1.217023 ESP Fit Center 4697 is at 6.574072 -2.977900 1.217023 ESP Fit Center 4698 is at 6.689763 -2.583892 1.217023 ESP Fit Center 4699 is at 6.687293 -2.175110 0.795628 ESP Fit Center 4700 is at 6.646587 -1.761811 0.795628 ESP Fit Center 4701 is at 6.526032 -1.364396 0.795628 ESP Fit Center 4702 is at 4.568797 -4.293606 0.795628 ESP Fit Center 4703 is at 4.982095 -4.252899 0.795628 ESP Fit Center 4704 is at 5.379510 -4.132345 0.795628 ESP Fit Center 4705 is at 5.745770 -3.936575 0.795628 ESP Fit Center 4706 is at 6.066800 -3.673113 0.795628 ESP Fit Center 4707 is at 6.330262 -3.352083 0.795628 ESP Fit Center 4708 is at 6.526032 -2.985823 0.795628 ESP Fit Center 4709 is at 6.646587 -2.588408 0.795628 ESP Fit Center 4710 is at 6.564377 -2.175110 0.390427 ESP Fit Center 4711 is at 6.520769 -1.760205 0.390427 ESP Fit Center 4712 is at 6.391850 -1.363434 0.390427 ESP Fit Center 4713 is at 5.185465 -4.073019 0.390427 ESP Fit Center 4714 is at 5.566587 -3.903332 0.390427 ESP Fit Center 4715 is at 5.904101 -3.658114 0.390427 ESP Fit Center 4716 is at 6.183255 -3.348082 0.390427 ESP Fit Center 4717 is at 6.391850 -2.986785 0.390427 ESP Fit Center 4718 is at 6.520769 -2.590014 0.390427 ESP Fit Center 4719 is at 6.364771 -2.175110 0.016991 ESP Fit Center 4720 is at 6.316361 -1.760929 0.016991 ESP Fit Center 4721 is at 6.173738 -1.369078 0.016991 ESP Fit Center 4722 is at 5.641279 -3.615702 0.016991 ESP Fit Center 4723 is at 5.944593 -3.329540 0.016991 ESP Fit Center 4724 is at 6.173738 -2.981141 0.016991 ESP Fit Center 4725 is at 6.316361 -2.589290 0.016991 ESP Fit Center 4726 is at 6.096148 -2.175110 -0.310328 ESP Fit Center 4727 is at 6.039509 -1.763035 -0.310328 ESP Fit Center 4728 is at 5.873795 -2.968696 -0.310328 ESP Fit Center 4729 is at 6.039509 -2.587184 -0.310328 ESP Fit Center 4730 is at 5.768829 -2.175110 -0.578951 ESP Fit Center 4731 is at 5.696458 -2.585545 -0.578951 ESP Fit Center 4732 is at 2.075149 3.826258 1.747669 ESP Fit Center 4733 is at 1.661851 3.937001 1.747669 ESP Fit Center 4734 is at 2.581128 3.881770 1.548064 ESP Fit Center 4735 is at 2.261867 4.149663 1.548064 ESP Fit Center 4736 is at 1.870234 4.292205 1.548064 ESP Fit Center 4737 is at 1.453467 4.292205 1.548064 ESP Fit Center 4738 is at 1.061835 4.149663 1.548064 ESP Fit Center 4739 is at 2.966849 3.903992 1.279440 ESP Fit Center 4740 is at 2.704349 4.226648 1.279440 ESP Fit Center 4741 is at 2.364531 4.466517 1.279440 ESP Fit Center 4742 is at 1.972599 4.605810 1.279440 ESP Fit Center 4743 is at 1.557621 4.634195 1.279440 ESP Fit Center 4744 is at 1.150372 4.549568 1.279440 ESP Fit Center 4745 is at 0.781058 4.358204 1.279440 ESP Fit Center 4746 is at 3.266792 3.916437 0.952121 ESP Fit Center 4747 is at 3.037647 4.264835 0.952121 ESP Fit Center 4748 is at 2.734332 4.550997 0.952121 ESP Fit Center 4749 is at 2.373200 4.759497 0.952121 ESP Fit Center 4750 is at 1.973718 4.879094 0.952121 ESP Fit Center 4751 is at 1.557424 4.903341 0.952121 ESP Fit Center 4752 is at 1.146760 4.830929 0.952121 ESP Fit Center 4753 is at 0.763864 4.665764 0.952121 ESP Fit Center 4754 is at 3.276309 4.283377 0.578686 ESP Fit Center 4755 is at 2.997154 4.593410 0.578686 ESP Fit Center 4756 is at 2.659641 4.838628 0.578686 ESP Fit Center 4757 is at 2.278519 5.008314 0.578686 ESP Fit Center 4758 is at 1.870446 5.095053 0.578686 ESP Fit Center 4759 is at 1.453256 5.095053 0.578686 ESP Fit Center 4760 is at 1.045183 5.008314 0.578686 ESP Fit Center 4761 is at 0.664061 4.838628 0.578686 ESP Fit Center 4762 is at 3.423316 4.287378 0.173484 ESP Fit Center 4763 is at 3.159854 4.608408 0.173484 ESP Fit Center 4764 is at 2.838824 4.871870 0.173484 ESP Fit Center 4765 is at 2.472564 5.067640 0.173484 ESP Fit Center 4766 is at 2.075149 5.188195 0.173484 ESP Fit Center 4767 is at 1.661851 5.228901 0.173484 ESP Fit Center 4768 is at 1.248553 5.188195 0.173484 ESP Fit Center 4769 is at 0.851137 5.067640 0.173484 ESP Fit Center 4770 is at 0.484877 4.871870 0.173484 ESP Fit Center 4771 is at 3.478958 4.278189 -0.247911 ESP Fit Center 4772 is at 3.225116 4.600975 -0.247911 ESP Fit Center 4773 is at 2.914774 4.869889 -0.247911 ESP Fit Center 4774 is at 2.559147 5.075210 -0.247911 ESP Fit Center 4775 is at 2.171090 5.209518 -0.247911 ESP Fit Center 4776 is at 1.764628 5.267958 -0.247911 ESP Fit Center 4777 is at 1.354451 5.248419 -0.247911 ESP Fit Center 4778 is at 0.955384 5.151607 -0.247911 ESP Fit Center 4779 is at 0.581851 4.981020 -0.247911 ESP Fit Center 4780 is at 3.423316 4.287378 -0.669306 ESP Fit Center 4781 is at 3.159854 4.608408 -0.669306 ESP Fit Center 4782 is at 2.838824 4.871870 -0.669306 ESP Fit Center 4783 is at 2.472564 5.067640 -0.669306 ESP Fit Center 4784 is at 2.075149 5.188195 -0.669306 ESP Fit Center 4785 is at 1.661851 5.228901 -0.669306 ESP Fit Center 4786 is at 1.248553 5.188195 -0.669306 ESP Fit Center 4787 is at 0.851137 5.067640 -0.669306 ESP Fit Center 4788 is at 0.484877 4.871870 -0.669306 ESP Fit Center 4789 is at 3.276309 4.283377 -1.074507 ESP Fit Center 4790 is at 2.997154 4.593410 -1.074507 ESP Fit Center 4791 is at 2.659641 4.838628 -1.074507 ESP Fit Center 4792 is at 2.278519 5.008314 -1.074507 ESP Fit Center 4793 is at 1.870446 5.095053 -1.074507 ESP Fit Center 4794 is at 1.453256 5.095053 -1.074507 ESP Fit Center 4795 is at 1.045183 5.008314 -1.074507 ESP Fit Center 4796 is at 0.664061 4.838628 -1.074507 ESP Fit Center 4797 is at 3.266792 3.916437 -1.447942 ESP Fit Center 4798 is at 3.037647 4.264835 -1.447942 ESP Fit Center 4799 is at 2.734332 4.550997 -1.447942 ESP Fit Center 4800 is at 2.373200 4.759497 -1.447942 ESP Fit Center 4801 is at 1.973718 4.879094 -1.447942 ESP Fit Center 4802 is at 1.557424 4.903341 -1.447942 ESP Fit Center 4803 is at 1.146760 4.830929 -1.447942 ESP Fit Center 4804 is at 0.763864 4.665764 -1.447942 ESP Fit Center 4805 is at 3.132563 3.522479 -1.775261 ESP Fit Center 4806 is at 2.966849 3.903992 -1.775261 ESP Fit Center 4807 is at 2.704349 4.226648 -1.775261 ESP Fit Center 4808 is at 2.364531 4.466517 -1.775261 ESP Fit Center 4809 is at 1.972599 4.605810 -1.775261 ESP Fit Center 4810 is at 1.557621 4.634195 -1.775261 ESP Fit Center 4811 is at 1.150372 4.549568 -1.775261 ESP Fit Center 4812 is at 0.781058 4.358204 -1.775261 ESP Fit Center 4813 is at 2.789512 3.520840 -2.043885 ESP Fit Center 4814 is at 2.581128 3.881770 -2.043885 ESP Fit Center 4815 is at 2.261867 4.149663 -2.043885 ESP Fit Center 4816 is at 1.870234 4.292205 -2.043885 ESP Fit Center 4817 is at 1.453467 4.292205 -2.043885 ESP Fit Center 4818 is at 1.061835 4.149663 -2.043885 ESP Fit Center 4819 is at 2.075149 3.826258 -2.243490 ESP Fit Center 4820 is at 1.661851 3.937001 -2.243490 ESP Fit Center 4821 is at 1.248553 3.826258 -2.243490 ESP Fit Center 4822 is at 0.162291 -2.328783 1.985776 ESP Fit Center 4823 is at 0.575589 -2.439526 1.985776 ESP Fit Center 4824 is at -0.024427 -2.652188 1.786170 ESP Fit Center 4825 is at 0.367206 -2.794730 1.786170 ESP Fit Center 4826 is at 0.783972 -2.794730 1.786170 ESP Fit Center 4827 is at 0.064111 -3.052093 1.517547 ESP Fit Center 4828 is at 0.471359 -3.136720 1.517547 ESP Fit Center 4829 is at 0.886338 -3.108335 1.517547 ESP Fit Center 4830 is at 0.060498 -3.333454 1.190228 ESP Fit Center 4831 is at 0.471163 -3.405866 1.190228 ESP Fit Center 4832 is at 0.887457 -3.381619 1.190228 ESP Fit Center 4833 is at 0.366994 -3.597578 0.816792 ESP Fit Center 4834 is at 0.784184 -3.597578 0.816792 ESP Fit Center 4835 is at 0.162291 -3.690720 0.411591 ESP Fit Center 4836 is at 0.575589 -3.731426 0.411591 ESP Fit Center 4837 is at 0.268189 -3.750944 -0.009804 ESP Fit Center 4838 is at 0.678366 -3.770483 -0.009804 ESP Fit Center 4839 is at 0.162291 -3.690720 -0.431199 ESP Fit Center 4840 is at 0.575589 -3.731426 -0.431199 ESP Fit Center 4841 is at -0.041079 -3.510839 -0.836400 ESP Fit Center 4842 is at 0.366994 -3.597578 -0.836400 ESP Fit Center 4843 is at 0.060498 -3.333454 -1.209836 ESP Fit Center 4844 is at 0.471163 -3.405866 -1.209836 ESP Fit Center 4845 is at 0.064111 -3.052093 -1.537155 ESP Fit Center 4846 is at 0.471359 -3.136720 -1.537155 ESP Fit Center 4847 is at 0.367206 -2.794730 -1.805778 ESP Fit Center 4848 is at 0.575589 -2.439526 -2.005384 ESP Fit Center 4849 is at -3.213841 0.354893 -2.203223 ESP Fit Center 4850 is at -1.468044 1.151294 -2.424594 ESP Fit Center 4851 is at -1.893751 1.151294 -2.424594 ESP Fit Center 4852 is at -2.293784 1.005694 -2.424594 ESP Fit Center 4853 is at -2.619895 0.732055 -2.424594 ESP Fit Center 4854 is at -2.832748 0.363382 -2.424594 ESP Fit Center 4855 is at -1.263724 0.666707 -2.586729 ESP Fit Center 4856 is at -1.680897 0.778488 -2.586729 ESP Fit Center 4857 is at -2.098070 0.666707 -2.586729 ESP Fit Center 4858 is at -2.403462 0.361315 -2.586729 ESP Fit Center 4859 is at -1.469711 0.309928 -2.685635 ESP Fit Center 4860 is at -1.892084 0.309928 -2.685635 ESP Fit Center 4861 is at 2.974369 -1.824387 4.083625 ESP Fit Center 4862 is at 3.395764 -1.824387 4.042121 ESP Fit Center 4863 is at 3.185066 -1.459448 4.042121 ESP Fit Center 4864 is at 2.763671 -1.459448 4.042121 ESP Fit Center 4865 is at 2.552974 -1.824387 4.042121 ESP Fit Center 4866 is at 2.763671 -2.189326 4.042121 ESP Fit Center 4867 is at 3.185066 -2.189326 4.042121 ESP Fit Center 4868 is at 2.974369 -0.997791 3.919204 ESP Fit Center 4869 is at 2.561071 -1.108534 3.919204 ESP Fit Center 4870 is at 2.258516 -1.411089 3.919204 ESP Fit Center 4871 is at 2.147773 -1.824387 3.919204 ESP Fit Center 4872 is at 2.258516 -2.237685 3.919204 ESP Fit Center 4873 is at 2.561071 -2.540240 3.919204 ESP Fit Center 4874 is at 2.974369 -2.650983 3.919204 ESP Fit Center 4875 is at 3.387667 -2.540240 3.919204 ESP Fit Center 4876 is at 3.690222 -2.237685 3.919204 ESP Fit Center 4877 is at 2.765986 -0.642586 3.719599 ESP Fit Center 4878 is at 2.374353 -0.785129 3.719599 ESP Fit Center 4879 is at 2.055091 -1.053021 3.719599 ESP Fit Center 4880 is at 1.846708 -1.413952 3.719599 ESP Fit Center 4881 is at 1.774337 -1.824387 3.719599 ESP Fit Center 4882 is at 1.846708 -2.234822 3.719599 ESP Fit Center 4883 is at 2.055091 -2.595752 3.719599 ESP Fit Center 4884 is at 2.374353 -2.863645 3.719599 ESP Fit Center 4885 is at 2.765986 -3.006187 3.719599 ESP Fit Center 4886 is at 3.182752 -3.006187 3.719599 ESP Fit Center 4887 is at 3.574385 -2.863645 3.719599 ESP Fit Center 4888 is at 2.462890 -0.385224 3.450975 ESP Fit Center 4889 is at 2.093576 -0.576587 3.450975 ESP Fit Center 4890 is at 1.789586 -0.860494 3.450975 ESP Fit Center 4891 is at 1.573466 -1.215889 3.450975 ESP Fit Center 4892 is at 1.461244 -1.616413 3.450975 ESP Fit Center 4893 is at 1.461244 -2.032361 3.450975 ESP Fit Center 4894 is at 1.573466 -2.432885 3.450975 ESP Fit Center 4895 is at 1.789586 -2.788279 3.450975 ESP Fit Center 4896 is at 2.093576 -3.072186 3.450975 ESP Fit Center 4897 is at 2.462890 -3.263550 3.450975 ESP Fit Center 4898 is at 2.870139 -3.348177 3.450975 ESP Fit Center 4899 is at 3.285118 -3.319792 3.450975 ESP Fit Center 4900 is at 3.677050 -3.180499 3.450975 ESP Fit Center 4901 is at 2.076382 -0.269027 3.123656 ESP Fit Center 4902 is at 1.741897 -0.518043 3.123656 ESP Fit Center 4903 is at 1.473854 -0.837483 3.123656 ESP Fit Center 4904 is at 1.286705 -1.210128 3.123656 ESP Fit Center 4905 is at 1.190538 -1.615887 3.123656 ESP Fit Center 4906 is at 1.190538 -2.032887 3.123656 ESP Fit Center 4907 is at 1.286705 -2.438646 3.123656 ESP Fit Center 4908 is at 1.473854 -2.811291 3.123656 ESP Fit Center 4909 is at 1.741897 -3.130731 3.123656 ESP Fit Center 4910 is at 2.076382 -3.379746 3.123656 ESP Fit Center 4911 is at 2.459278 -3.544912 3.123656 ESP Fit Center 4912 is at 2.869942 -3.617323 3.123656 ESP Fit Center 4913 is at 3.286237 -3.593076 3.123656 ESP Fit Center 4914 is at 3.685718 -3.473480 3.123656 ESP Fit Center 4915 is at 1.639065 -0.341382 2.750221 ESP Fit Center 4916 is at 1.359911 -0.651415 2.750221 ESP Fit Center 4917 is at 1.151316 -1.012711 2.750221 ESP Fit Center 4918 is at 1.022397 -1.409483 2.750221 ESP Fit Center 4919 is at 0.978789 -1.824387 2.750221 ESP Fit Center 4920 is at 1.022397 -2.239291 2.750221 ESP Fit Center 4921 is at 1.151316 -2.636062 2.750221 ESP Fit Center 4922 is at 1.359911 -2.997359 2.750221 ESP Fit Center 4923 is at 1.639065 -3.307392 2.750221 ESP Fit Center 4924 is at 1.976579 -3.552610 2.750221 ESP Fit Center 4925 is at 2.357701 -3.722296 2.750221 ESP Fit Center 4926 is at 2.765774 -3.809035 2.750221 ESP Fit Center 4927 is at 3.182964 -3.809035 2.750221 ESP Fit Center 4928 is at 3.591037 -3.722296 2.750221 ESP Fit Center 4929 is at 0.855873 -1.824387 2.345020 ESP Fit Center 4930 is at 0.896579 -2.237685 2.345020 ESP Fit Center 4931 is at 1.017134 -2.635100 2.345020 ESP Fit Center 4932 is at 1.212904 -3.001360 2.345020 ESP Fit Center 4933 is at 1.476366 -3.322390 2.345020 ESP Fit Center 4934 is at 1.797396 -3.585852 2.345020 ESP Fit Center 4935 is at 2.163656 -3.781622 2.345020 ESP Fit Center 4936 is at 2.561071 -3.902177 2.345020 ESP Fit Center 4937 is at 2.974369 -3.942883 2.345020 ESP Fit Center 4938 is at 3.387667 -3.902177 2.345020 ESP Fit Center 4939 is at 1.054484 -2.814156 1.923625 ESP Fit Center 4940 is at 1.276494 -3.159610 1.923625 ESP Fit Center 4941 is at 1.559870 -3.456806 1.923625 ESP Fit Center 4942 is at 1.894369 -3.695002 1.923625 ESP Fit Center 4943 is at 2.267902 -3.865589 1.923625 ESP Fit Center 4944 is at 2.666969 -3.962401 1.923625 ESP Fit Center 4945 is at 3.077146 -3.981940 1.923625 ESP Fit Center 4946 is at 1.476366 -3.322390 1.502229 ESP Fit Center 4947 is at 1.797396 -3.585852 1.502229 ESP Fit Center 4948 is at 2.163656 -3.781622 1.502229 ESP Fit Center 4949 is at 2.561071 -3.902177 1.502229 ESP Fit Center 4950 is at 3.288399 -4.249531 1.117986 ESP Fit Center 4951 is at 3.705166 -4.249531 1.117986 ESP Fit Center 4952 is at 2.985304 -4.506893 0.849363 ESP Fit Center 4953 is at 3.392553 -4.591520 0.849363 ESP Fit Center 4954 is at 3.807531 -4.563135 0.849363 ESP Fit Center 4955 is at 4.199463 -4.423842 0.849363 ESP Fit Center 4956 is at 2.598795 -4.623090 0.522044 ESP Fit Center 4957 is at 2.981691 -4.788255 0.522044 ESP Fit Center 4958 is at 3.392356 -4.860666 0.522044 ESP Fit Center 4959 is at 3.808650 -4.836420 0.522044 ESP Fit Center 4960 is at 4.208132 -4.716823 0.522044 ESP Fit Center 4961 is at 4.569264 -4.508323 0.522044 ESP Fit Center 4962 is at 4.872579 -4.222160 0.522044 ESP Fit Center 4963 is at 2.498993 -4.795953 0.148608 ESP Fit Center 4964 is at 2.880115 -4.965639 0.148608 ESP Fit Center 4965 is at 3.288188 -5.052378 0.148608 ESP Fit Center 4966 is at 3.705377 -5.052378 0.148608 ESP Fit Center 4967 is at 4.113451 -4.965639 0.148608 ESP Fit Center 4968 is at 4.494573 -4.795953 0.148608 ESP Fit Center 4969 is at 4.832086 -4.550735 0.148608 ESP Fit Center 4970 is at 5.111241 -4.240703 0.148608 ESP Fit Center 4971 is at 2.319809 -4.829195 -0.256593 ESP Fit Center 4972 is at 2.686069 -5.024966 -0.256593 ESP Fit Center 4973 is at 3.083484 -5.145520 -0.256593 ESP Fit Center 4974 is at 3.496783 -5.186226 -0.256593 ESP Fit Center 4975 is at 3.910081 -5.145520 -0.256593 ESP Fit Center 4976 is at 4.307496 -5.024966 -0.256593 ESP Fit Center 4977 is at 4.673756 -4.829195 -0.256593 ESP Fit Center 4978 is at 4.994786 -4.565733 -0.256593 ESP Fit Center 4979 is at 5.258248 -4.244704 -0.256593 ESP Fit Center 4980 is at 5.454018 -3.878444 -0.256593 ESP Fit Center 4981 is at 5.574573 -3.481028 -0.256593 ESP Fit Center 4982 is at 5.656783 -3.067730 -0.677988 ESP Fit Center 4983 is at 5.617749 -2.658948 -0.677988 ESP Fit Center 4984 is at 2.416783 -4.938345 -0.677988 ESP Fit Center 4985 is at 2.790316 -5.108932 -0.677988 ESP Fit Center 4986 is at 3.189383 -5.205745 -0.677988 ESP Fit Center 4987 is at 3.599560 -5.225284 -0.677988 ESP Fit Center 4988 is at 4.006022 -5.166843 -0.677988 ESP Fit Center 4989 is at 4.394079 -5.032535 -0.677988 ESP Fit Center 4990 is at 4.749706 -4.827214 -0.677988 ESP Fit Center 4991 is at 5.060048 -4.558301 -0.677988 ESP Fit Center 4992 is at 5.313890 -4.235514 -0.677988 ESP Fit Center 4993 is at 5.502057 -3.870521 -0.677988 ESP Fit Center 4994 is at 5.617749 -3.476513 -0.677988 ESP Fit Center 4995 is at 5.615279 -3.067730 -1.099383 ESP Fit Center 4996 is at 5.574573 -2.654432 -1.099383 ESP Fit Center 4997 is at 2.319809 -4.829195 -1.099383 ESP Fit Center 4998 is at 2.686069 -5.024966 -1.099383 ESP Fit Center 4999 is at 3.083484 -5.145520 -1.099383 ESP Fit Center 5000 is at 3.496783 -5.186226 -1.099383 ESP Fit Center 5001 is at 3.910081 -5.145520 -1.099383 ESP Fit Center 5002 is at 4.307496 -5.024966 -1.099383 ESP Fit Center 5003 is at 4.673756 -4.829195 -1.099383 ESP Fit Center 5004 is at 4.994786 -4.565733 -1.099383 ESP Fit Center 5005 is at 5.258248 -4.244704 -1.099383 ESP Fit Center 5006 is at 5.454018 -3.878444 -1.099383 ESP Fit Center 5007 is at 5.574573 -3.481028 -1.099383 ESP Fit Center 5008 is at 5.492362 -3.067730 -1.504584 ESP Fit Center 5009 is at 5.448754 -2.652826 -1.504584 ESP Fit Center 5010 is at 2.498993 -4.795953 -1.504584 ESP Fit Center 5011 is at 2.880115 -4.965639 -1.504584 ESP Fit Center 5012 is at 3.288188 -5.052378 -1.504584 ESP Fit Center 5013 is at 3.705377 -5.052378 -1.504584 ESP Fit Center 5014 is at 4.113451 -4.965639 -1.504584 ESP Fit Center 5015 is at 4.494573 -4.795953 -1.504584 ESP Fit Center 5016 is at 4.832086 -4.550735 -1.504584 ESP Fit Center 5017 is at 5.111241 -4.240703 -1.504584 ESP Fit Center 5018 is at 5.319835 -3.879406 -1.504584 ESP Fit Center 5019 is at 5.448754 -3.482635 -1.504584 ESP Fit Center 5020 is at 5.292757 -3.067730 -1.878020 ESP Fit Center 5021 is at 5.244346 -2.653550 -1.878020 ESP Fit Center 5022 is at 2.598795 -4.623090 -1.878020 ESP Fit Center 5023 is at 2.981691 -4.788255 -1.878020 ESP Fit Center 5024 is at 3.392356 -4.860666 -1.878020 ESP Fit Center 5025 is at 3.808650 -4.836420 -1.878020 ESP Fit Center 5026 is at 4.208132 -4.716823 -1.878020 ESP Fit Center 5027 is at 4.569264 -4.508323 -1.878020 ESP Fit Center 5028 is at 4.872579 -4.222160 -1.878020 ESP Fit Center 5029 is at 5.101724 -3.873762 -1.878020 ESP Fit Center 5030 is at 5.244346 -3.481910 -1.878020 ESP Fit Center 5031 is at 5.024133 -3.067730 -2.205339 ESP Fit Center 5032 is at 4.967495 -2.655656 -2.205339 ESP Fit Center 5033 is at 4.801781 -2.274143 -2.205339 ESP Fit Center 5034 is at 2.985304 -4.506893 -2.205339 ESP Fit Center 5035 is at 3.392553 -4.591520 -2.205339 ESP Fit Center 5036 is at 3.807531 -4.563135 -2.205339 ESP Fit Center 5037 is at 4.199463 -4.423842 -2.205339 ESP Fit Center 5038 is at 4.539281 -4.183973 -2.205339 ESP Fit Center 5039 is at 4.801781 -3.861317 -2.205339 ESP Fit Center 5040 is at 4.967495 -3.479805 -2.205339 ESP Fit Center 5041 is at 4.696814 -3.067730 -2.473962 ESP Fit Center 5042 is at 4.624444 -2.657295 -2.473962 ESP Fit Center 5043 is at 2.896767 -4.106988 -2.473962 ESP Fit Center 5044 is at 3.288399 -4.249531 -2.473962 ESP Fit Center 5045 is at 3.705166 -4.249531 -2.473962 ESP Fit Center 5046 is at 4.096798 -4.106988 -2.473962 ESP Fit Center 5047 is at 4.416060 -3.839096 -2.473962 ESP Fit Center 5048 is at 4.624444 -3.478165 -2.473962 ESP Fit Center 5049 is at 4.323379 -3.067730 -2.673568 ESP Fit Center 5050 is at 4.212636 -2.654432 -2.673568 ESP Fit Center 5051 is at 3.496783 -3.894326 -2.673568 ESP Fit Center 5052 is at 3.910081 -3.783584 -2.673568 ESP Fit Center 5053 is at 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5089 is at -4.228528 -4.371876 -1.167648 ESP Fit Center 5090 is at -3.810209 -4.441681 -1.167648 ESP Fit Center 5091 is at -3.386106 -4.441681 -1.167648 ESP Fit Center 5092 is at -2.967787 -4.371876 -1.167648 ESP Fit Center 5093 is at -2.566663 -4.234170 -1.167648 ESP Fit Center 5094 is at -3.180409 -4.251769 -1.559076 ESP Fit Center 5095 is at -2.775353 -4.143234 -1.559076 ESP Fit Center 5096 is at -2.395298 -3.966012 -1.559076 ESP Fit Center 5097 is at -3.598157 0.026589 -2.242490 ESP Fit Center 5098 is at -3.598157 -0.295579 -2.517648 ESP Fit Center 5099 is at -4.008908 -0.349656 -2.517648 ESP Fit Center 5100 is at -3.503788 -1.265958 2.498541 ESP Fit Center 5101 is at -3.122695 -1.257469 2.277170 ESP Fit Center 5102 is at -6.916274 -0.023914 1.318598 ESP Fit Center 5103 is at -6.913998 0.375445 0.927170 ESP Fit Center 5104 is at -7.084358 -0.012938 0.927170 ESP Fit Center 5105 is at -7.188470 -0.424064 0.927170 ESP Fit Center 5106 is at -7.031738 0.363965 0.515197 ESP Fit Center 5107 is at -7.191877 -0.022644 0.515197 ESP Fit Center 5108 is at -7.289565 -0.429545 0.515197 ESP Fit Center 5109 is at -7.322398 -0.846718 0.515197 ESP Fit Center 5110 is at -7.289565 -1.263891 0.515197 ESP Fit Center 5111 is at -6.976477 0.533032 0.092824 ESP Fit Center 5112 is at -7.159896 0.162588 0.092824 ESP Fit Center 5113 is at -7.347717 -1.053401 0.092824 ESP Fit Center 5114 is at -7.284617 -1.461923 0.092824 ESP Fit Center 5115 is at -7.159896 -1.856024 0.092824 ESP Fit Center 5116 is at -6.976477 -2.226469 0.092824 ESP Fit Center 5117 is at -6.738660 -2.564573 0.092824 ESP Fit Center 5118 is at -6.452019 -2.862412 0.092824 ESP Fit Center 5119 is at -6.123271 -3.113005 0.092824 ESP Fit Center 5120 is at -6.813092 -2.414200 -0.329549 ESP Fit Center 5121 is at -6.541322 -2.732401 -0.329549 ESP Fit Center 5122 is at -6.223120 -3.004171 -0.329549 ESP Fit Center 5123 is at -6.394798 -2.735949 -0.741522 ESP Fit Center 5124 is at -6.060121 -2.996438 -0.741522 ESP Fit Center 5125 is 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0.885966 ESP Fit Center 5144 is at -6.600755 1.795518 0.885966 ESP Fit Center 5145 is at -6.760894 1.408909 0.885966 ESP Fit Center 5146 is at -6.858582 1.002008 0.885966 ESP Fit Center 5147 is at -6.891414 0.584835 0.885966 ESP Fit Center 5148 is at -6.853633 1.200039 0.463593 ESP Fit Center 5149 is at -6.916733 0.791518 0.463593 ESP Fit Center 5150 is at -3.802283 0.584835 -2.203166 ESP Fit Center 5151 is at -4.224656 0.584835 -2.236407 ESP Fit Center 5152 is at -3.155045 3.348810 1.633848 ESP Fit Center 5153 is at -3.560100 3.240276 1.633848 ESP Fit Center 5154 is at -3.940155 3.063053 1.633848 ESP Fit Center 5155 is at -2.949348 3.538723 1.242420 ESP Fit Center 5156 is at -3.367667 3.468918 1.242420 ESP Fit Center 5157 is at -3.768791 3.331212 1.242420 ESP Fit Center 5158 is at -3.154469 3.613567 0.830447 ESP Fit Center 5159 is at -3.561370 3.515879 0.830447 ESP Fit Center 5160 is at -3.947979 3.355740 0.830447 ESP Fit Center 5161 is at -3.571642 0.979641 -2.159779 ESP Fit Center 5162 is at -3.459861 0.562468 -2.159779 ESP Fit Center 5163 is at -3.159669 0.979641 -2.258684 ESP Fit Center 5164 is at -2.737296 0.979641 -2.291926 ESP Fit Center 5165 is at -1.560648 -0.360929 3.179922 ESP Fit Center 5166 is at -1.139253 -0.360929 3.138418 ESP Fit Center 5167 is at -1.349950 0.004010 3.138418 ESP Fit Center 5168 is at -1.771345 0.004010 3.138418 ESP Fit Center 5169 is at -1.982043 -0.360929 3.138418 ESP Fit Center 5170 is at -1.771345 -0.725867 3.138418 ESP Fit Center 5171 is at -1.349950 -0.725867 3.138418 ESP Fit Center 5172 is at -0.734051 -0.360929 3.015501 ESP Fit Center 5173 is at -0.844794 0.052369 3.015501 ESP Fit Center 5174 is at -1.147350 0.354925 3.015501 ESP Fit Center 5175 is at -2.387244 -0.360929 3.015501 ESP Fit Center 5176 is at -2.276501 -0.774227 3.015501 ESP Fit Center 5177 is at -1.973946 -1.076782 3.015501 ESP Fit Center 5178 is at -1.560648 -1.187525 3.015501 ESP Fit Center 5179 is at -1.147350 -1.076782 3.015501 ESP Fit Center 5180 is at 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-1.884719 2.547272 ESP Fit Center 5199 is at -1.249899 -1.856333 2.547272 ESP Fit Center 5200 is at -0.857967 -1.717041 2.547272 ESP Fit Center 5201 is at -0.518150 -1.477171 2.547272 ESP Fit Center 5202 is at -0.255650 -1.154516 2.547272 ESP Fit Center 5203 is at -0.089935 -0.773003 2.547272 ESP Fit Center 5204 is at -0.488166 -1.801521 2.219953 ESP Fit Center 5205 is at -0.525469 -3.420013 -1.413111 ESP Fit Center 5206 is at -0.215126 -3.151099 -1.413111 ESP Fit Center 5207 is at -1.778391 -3.779025 -1.834506 ESP Fit Center 5208 is at -1.365093 -3.738319 -1.834506 ESP Fit Center 5209 is at -0.967678 -3.617764 -1.834506 ESP Fit Center 5210 is at -0.601418 -3.421994 -1.834506 ESP Fit Center 5211 is at -0.280388 -3.158532 -1.834506 ESP Fit Center 5212 is at -0.016926 -2.837502 -1.834506 ESP Fit Center 5213 is at -2.395060 -3.558438 -2.239707 ESP Fit Center 5214 is at -1.986986 -3.645177 -2.239707 ESP Fit Center 5215 is at -1.569797 -3.645177 -2.239707 ESP Fit Center 5216 is at -1.161723 -3.558438 -2.239707 ESP Fit Center 5217 is at -0.780602 -3.388752 -2.239707 ESP Fit Center 5218 is at -0.443088 -3.143534 -2.239707 ESP Fit Center 5219 is at -0.163934 -2.833501 -2.239707 ESP Fit Center 5220 is at 0.044661 -2.472204 -2.239707 ESP Fit Center 5221 is at 0.173580 -2.075433 -2.239707 ESP Fit Center 5222 is at 0.017583 -1.660529 -2.613143 ESP Fit Center 5223 is at -0.030828 -1.246349 -2.613143 ESP Fit Center 5224 is at -0.173450 -0.854497 -2.613143 ESP Fit Center 5225 is at -2.293483 -3.381053 -2.613143 ESP Fit Center 5226 is at -1.882818 -3.453465 -2.613143 ESP Fit Center 5227 is at -1.466524 -3.429218 -2.613143 ESP Fit Center 5228 is at -1.067042 -3.309621 -2.613143 ESP Fit Center 5229 is at -0.705910 -3.101121 -2.613143 ESP Fit Center 5230 is at -0.402595 -2.814959 -2.613143 ESP Fit Center 5231 is at -0.173450 -2.466561 -2.613143 ESP Fit Center 5232 is at -0.030828 -2.074709 -2.613143 ESP Fit Center 5233 is at -0.251041 -1.660529 -2.940462 ESP Fit Center 5234 is at -0.307679 -1.248454 -2.940462 ESP Fit Center 5235 is at -0.473393 -0.866942 -2.940462 ESP Fit Center 5236 is at -0.735893 -0.544286 -2.940462 ESP Fit Center 5237 is at -1.075711 -0.304417 -2.940462 ESP Fit Center 5238 is at -1.467643 -0.165124 -2.940462 ESP Fit Center 5239 is at -1.882622 -0.136739 -2.940462 ESP Fit Center 5240 is at -2.289870 -0.221366 -2.940462 ESP Fit Center 5241 is at -2.659185 -0.412729 -2.940462 ESP Fit Center 5242 is at -2.963175 -0.696636 -2.940462 ESP Fit Center 5243 is at -2.289870 -3.099692 -2.940462 ESP Fit Center 5244 is at -1.882622 -3.184319 -2.940462 ESP Fit Center 5245 is at -1.467643 -3.155933 -2.940462 ESP Fit Center 5246 is at -1.075711 -3.016641 -2.940462 ESP Fit Center 5247 is at -0.735893 -2.776772 -2.940462 ESP Fit Center 5248 is at -0.473393 -2.454116 -2.940462 ESP Fit Center 5249 is at -0.307679 -2.072603 -2.940462 ESP Fit Center 5250 is at -0.578360 -1.660529 -3.209085 ESP Fit Center 5251 is at -0.650731 -1.250094 -3.209085 ESP Fit Center 5252 is at -0.859114 -0.889163 -3.209085 ESP Fit Center 5253 is at -1.178376 -0.621271 -3.209085 ESP Fit Center 5254 is at -1.570008 -0.478728 -3.209085 ESP Fit Center 5255 is at -1.986775 -0.478728 -3.209085 ESP Fit Center 5256 is at -2.378407 -0.621271 -3.209085 ESP Fit Center 5257 is at -2.697669 -0.889163 -3.209085 ESP Fit Center 5258 is at -2.906052 -1.250094 -3.209085 ESP Fit Center 5259 is at -2.697669 -2.431894 -3.209085 ESP Fit Center 5260 is at -2.378407 -2.699787 -3.209085 ESP Fit Center 5261 is at -1.986775 -2.842329 -3.209085 ESP Fit Center 5262 is at -1.570008 -2.842329 -3.209085 ESP Fit Center 5263 is at -1.178376 -2.699787 -3.209085 ESP Fit Center 5264 is at -0.859114 -2.431894 -3.209085 ESP Fit Center 5265 is at -0.650731 -2.070964 -3.209085 ESP Fit Center 5266 is at -0.951795 -1.660529 -3.408691 ESP Fit Center 5267 is at -1.062538 -1.247231 -3.408691 ESP Fit Center 5268 is at -1.365093 -0.944675 -3.408691 ESP Fit Center 5269 is at -1.778391 -0.833933 -3.408691 ESP Fit Center 5270 is at -2.191690 -0.944675 -3.408691 ESP Fit Center 5271 is at -2.494245 -1.247231 -3.408691 ESP Fit Center 5272 is at -2.604988 -1.660529 -3.408691 ESP Fit Center 5273 is at -2.494245 -2.073827 -3.408691 ESP Fit Center 5274 is at -2.191690 -2.376382 -3.408691 ESP Fit Center 5275 is at -1.778391 -2.487125 -3.408691 ESP Fit Center 5276 is at -1.365093 -2.376382 -3.408691 ESP Fit Center 5277 is at -1.062538 -2.073827 -3.408691 ESP Fit Center 5278 is at -1.356996 -1.660529 -3.531607 ESP Fit Center 5279 is at -1.567694 -1.295590 -3.531607 ESP Fit Center 5280 is at -1.989089 -1.295590 -3.531607 ESP Fit Center 5281 is at -2.199787 -1.660529 -3.531607 ESP Fit Center 5282 is at -1.989089 -2.025468 -3.531607 ESP Fit Center 5283 is at -1.567694 -2.025468 -3.531607 ESP Fit Center 5284 is at -1.778391 -1.660529 -3.573111 ESP Fit Center 5285 is at -1.581359 -2.159177 2.444784 ESP Fit Center 5286 is at -1.159964 -2.159177 2.403281 ESP Fit Center 5287 is at -2.002754 -2.159177 2.403281 ESP Fit Center 5288 is at -1.792057 -2.524116 2.403281 ESP Fit Center 5289 is at -1.370661 -2.524116 2.403281 ESP Fit Center 5290 is at -0.754763 -2.159177 2.280364 ESP Fit Center 5291 is at -2.407955 -2.159177 2.280364 ESP Fit Center 5292 is at -2.297212 -2.572475 2.280364 ESP Fit Center 5293 is at -1.994657 -2.875031 2.280364 ESP Fit Center 5294 is at -1.581359 -2.985773 2.280364 ESP Fit Center 5295 is at -1.168061 -2.875031 2.280364 ESP Fit Center 5296 is at -0.865506 -2.572475 2.280364 ESP Fit Center 5297 is at -0.381327 -2.159177 2.080759 ESP Fit Center 5298 is at -2.181375 -3.198435 2.080759 ESP Fit Center 5299 is at -1.789742 -3.340978 2.080759 ESP Fit Center 5300 is at -1.372976 -3.340978 2.080759 ESP Fit Center 5301 is at -0.981343 -3.198435 2.080759 ESP Fit Center 5302 is at -0.662081 -2.930543 2.080759 ESP Fit Center 5303 is at -0.453698 -2.569612 2.080759 ESP Fit Center 5304 is at -2.092838 -3.598340 1.812135 ESP Fit Center 5305 is at -1.685589 -3.682967 1.812135 ESP Fit Center 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Fit Center 5540 is at -7.281170 -1.748563 -0.732744 ESP Fit Center 5541 is at -7.059160 -2.094017 -0.732744 ESP Fit Center 5542 is at -6.775784 -2.391213 -0.732744 ESP Fit Center 5543 is at -6.859288 0.739209 -1.154139 ESP Fit Center 5544 is at -7.122751 0.418180 -1.154139 ESP Fit Center 5545 is at -7.318521 0.051920 -1.154139 ESP Fit Center 5546 is at -7.439075 -0.345495 -1.154139 ESP Fit Center 5547 is at -7.479782 -0.758794 -1.154139 ESP Fit Center 5548 is at -7.439075 -1.172092 -1.154139 ESP Fit Center 5549 is at -7.318521 -1.569507 -1.154139 ESP Fit Center 5550 is at -7.122751 -1.935767 -1.154139 ESP Fit Center 5551 is at -6.859288 -2.256797 -1.154139 ESP Fit Center 5552 is at -6.538259 -2.520259 -1.154139 ESP Fit Center 5553 is at -6.171999 -2.716029 -1.154139 ESP Fit Center 5554 is at -6.696589 0.724211 -1.559340 ESP Fit Center 5555 is at -6.975743 0.414179 -1.559340 ESP Fit Center 5556 is at -7.184338 0.052882 -1.559340 ESP Fit Center 5557 is at -7.313257 -0.343889 -1.559340 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ESP Fit Center 5666 is at -4.852502 -3.027082 2.164896 ESP Fit Center 5667 is at -6.778828 -0.085420 1.791461 ESP Fit Center 5668 is at -6.987423 -0.446717 1.791461 ESP Fit Center 5669 is at -7.116342 -0.843488 1.791461 ESP Fit Center 5670 is at -7.159950 -1.258393 1.791461 ESP Fit Center 5671 is at -7.116342 -1.673297 1.791461 ESP Fit Center 5672 is at -6.987423 -2.070068 1.791461 ESP Fit Center 5673 is at -6.778828 -2.431365 1.791461 ESP Fit Center 5674 is at -6.499674 -2.741398 1.791461 ESP Fit Center 5675 is at -6.162160 -2.986616 1.791461 ESP Fit Center 5676 is at -5.781038 -3.156302 1.791461 ESP Fit Center 5677 is at -5.372965 -3.243041 1.791461 ESP Fit Center 5678 is at -6.925835 -0.081419 1.386260 ESP Fit Center 5679 is at -7.121605 -0.447679 1.386260 ESP Fit Center 5680 is at -7.242160 -0.845095 1.386260 ESP Fit Center 5681 is at -7.282866 -1.258393 1.386260 ESP Fit Center 5682 is at -7.242160 -1.671691 1.386260 ESP Fit Center 5683 is at -7.121605 -2.069106 1.386260 ESP Fit Center 5684 is at -6.925835 -2.435366 1.386260 ESP Fit Center 5685 is at -6.662373 -2.756396 1.386260 ESP Fit Center 5686 is at -6.341344 -3.019858 1.386260 ESP Fit Center 5687 is at -5.975084 -3.215628 1.386260 ESP Fit Center 5688 is at -5.577668 -3.336183 1.386260 ESP Fit Center 5689 is at -7.236875 -0.649851 0.964865 ESP Fit Center 5690 is at -7.314590 -1.053072 0.964865 ESP Fit Center 5691 is at -7.314590 -1.463714 0.964865 ESP Fit Center 5692 is at -7.236875 -1.866935 0.964865 ESP Fit Center 5693 is at -7.084255 -2.248162 0.964865 ESP Fit Center 5694 is at -6.862245 -2.593616 0.964865 ESP Fit Center 5695 is at -6.578869 -2.890812 0.964865 ESP Fit Center 5696 is at -6.244370 -3.129008 0.964865 ESP Fit Center 5697 is at -5.870837 -3.299595 0.964865 ESP Fit Center 5698 is at -7.242160 -1.671691 0.543470 ESP Fit Center 5699 is at -7.121605 -2.069106 0.543470 ESP Fit Center 5700 is at -6.925835 -2.435366 0.543470 ESP Fit Center 5701 is at -6.662373 -2.756396 0.543470 ESP Fit Center 5702 is at -6.341344 -3.019858 0.543470 ESP Fit Center 5703 is at -5.975084 -3.215628 0.543470 ESP Fit Center 5704 is at -5.987532 2.563896 0.989481 ESP Fit Center 5705 is at -4.963655 3.242200 0.616046 ESP Fit Center 5706 is at -5.371728 3.155461 0.616046 ESP Fit Center 5707 is at -5.752850 2.985775 0.616046 ESP Fit Center 5708 is at -6.090364 2.740557 0.616046 ESP Fit Center 5709 is at -6.369518 2.430524 0.616046 ESP Fit Center 5710 is at -6.578113 2.069227 0.616046 ESP Fit Center 5711 is at -6.707032 1.672456 0.616046 ESP Fit Center 5712 is at -4.341762 3.335342 0.210845 ESP Fit Center 5713 is at -4.755060 3.376048 0.210845 ESP Fit Center 5714 is at -5.168358 3.335342 0.210845 ESP Fit Center 5715 is at -5.565773 3.214787 0.210845 ESP Fit Center 5716 is at -5.932033 3.019017 0.210845 ESP Fit Center 5717 is at -6.253063 2.755555 0.210845 ESP Fit Center 5718 is at -6.516525 2.434525 0.210845 ESP Fit Center 5719 is at -6.712295 2.068265 0.210845 ESP Fit Center 5720 is at -6.832850 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ESP Fit Center 5757 is at -5.987532 2.563896 -1.410582 ESP Fit Center 5758 is at -6.255575 2.244456 -1.410582 ESP Fit Center 5759 is at -6.442724 1.871811 -1.410582 ESP Fit Center 5760 is at -6.538891 1.466052 -1.410582 ESP Fit Center 5761 is at -6.538891 1.049052 -1.410582 ESP Fit Center 5762 is at -4.052379 2.613664 -1.737901 ESP Fit Center 5763 is at -4.444311 2.752957 -1.737901 ESP Fit Center 5764 is at -4.859290 2.781342 -1.737901 ESP Fit Center 5765 is at -5.266539 2.696715 -1.737901 ESP Fit Center 5766 is at -5.635853 2.505351 -1.737901 ESP Fit Center 5767 is at -5.939843 2.221444 -1.737901 ESP Fit Center 5768 is at -6.155963 1.866050 -1.737901 ESP Fit Center 5769 is at -6.268185 1.465526 -1.737901 ESP Fit Center 5770 is at -6.268185 1.049578 -1.737901 ESP Fit Center 5771 is at -4.155044 2.296810 -2.006525 ESP Fit Center 5772 is at -4.546677 2.439352 -2.006525 ESP Fit Center 5773 is at -4.963443 2.439352 -2.006525 ESP Fit Center 5774 is at -5.355076 2.296810 -2.006525 ESP Fit Center 5775 is at -5.674338 2.028917 -2.006525 ESP Fit Center 5776 is at -5.882721 1.667987 -2.006525 ESP Fit Center 5777 is at -5.955092 1.257552 -2.006525 ESP Fit Center 5778 is at -3.928464 1.257552 -2.206130 ESP Fit Center 5779 is at -4.039207 1.670850 -2.206130 ESP Fit Center 5780 is at -4.341762 1.973405 -2.206130 ESP Fit Center 5781 is at -4.755060 2.084148 -2.206130 ESP Fit Center 5782 is at -5.168358 1.973405 -2.206130 ESP Fit Center 5783 is at -5.470913 1.670850 -2.206130 ESP Fit Center 5784 is at -5.581656 1.257552 -2.206130 ESP Fit Center 5785 is at -5.470913 0.844254 -2.206130 ESP Fit Center 5786 is at -4.333665 1.257552 -2.329047 ESP Fit Center 5787 is at -4.544362 1.622491 -2.329047 ESP Fit Center 5788 is at -4.965758 1.622491 -2.329047 ESP Fit Center 5789 is at -5.176455 1.257552 -2.329047 ESP Fit Center 5790 is at -4.965758 0.892613 -2.329047 ESP Fit Center 5791 is at -4.544362 0.892613 -2.329047 ESP Fit Center 5792 is at -4.755060 1.257552 -2.370551 ESP Fit Center 5793 is at -4.558145 0.757953 3.647058 ESP Fit Center 5794 is at -4.136750 0.757953 3.605554 ESP Fit Center 5795 is at -4.347447 1.122891 3.605554 ESP Fit Center 5796 is at -4.768842 1.122891 3.605554 ESP Fit Center 5797 is at -4.979540 0.757953 3.605554 ESP Fit Center 5798 is at -4.768842 0.393014 3.605554 ESP Fit Center 5799 is at -4.347447 0.393014 3.605554 ESP Fit Center 5800 is at -3.731549 0.757953 3.482638 ESP Fit Center 5801 is at -3.842292 1.171251 3.482638 ESP Fit Center 5802 is at -4.144847 1.473806 3.482638 ESP Fit Center 5803 is at -4.558145 1.584549 3.482638 ESP Fit Center 5804 is at -4.971443 1.473806 3.482638 ESP Fit Center 5805 is at -5.273998 1.171251 3.482638 ESP Fit Center 5806 is at -5.384741 0.757953 3.482638 ESP Fit Center 5807 is at -5.273998 0.344654 3.482638 ESP Fit Center 5808 is at -4.971443 0.042099 3.482638 ESP Fit Center 5809 is at -4.558145 -0.068644 3.482638 ESP Fit Center 5810 is at -4.144847 0.042099 3.482638 ESP Fit Center 5811 is at -3.842292 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Fit Center 5830 is at -4.662375 2.281743 3.014409 ESP Fit Center 5831 is at -5.069623 2.197115 3.014409 ESP Fit Center 5832 is at -5.438938 2.005752 3.014409 ESP Fit Center 5833 is at -5.742928 1.721845 3.014409 ESP Fit Center 5834 is at -5.959048 1.366451 3.014409 ESP Fit Center 5835 is at -6.071270 0.965927 3.014409 ESP Fit Center 5836 is at -6.071270 0.549978 3.014409 ESP Fit Center 5837 is at -5.959048 0.149454 3.014409 ESP Fit Center 5838 is at -5.742928 -0.205940 3.014409 ESP Fit Center 5839 is at -5.438938 -0.489847 3.014409 ESP Fit Center 5840 is at -4.662375 -0.765837 3.014409 ESP Fit Center 5841 is at -4.247396 -0.737452 3.014409 ESP Fit Center 5842 is at -3.855464 -0.598159 3.014409 ESP Fit Center 5843 is at -3.515647 -0.358290 3.014409 ESP Fit Center 5844 is at -3.253147 -0.035634 3.014409 ESP Fit Center 5845 is at -3.846796 2.407045 2.687090 ESP Fit Center 5846 is at -4.246277 2.526642 2.687090 ESP Fit Center 5847 is at -4.662571 2.550888 2.687090 ESP Fit Center 5848 is at 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ESP Fit Center 5867 is at -6.510116 0.343048 2.313654 ESP Fit Center 5868 is at -6.381198 -0.053723 2.313654 ESP Fit Center 5869 is at -4.558145 2.876449 1.908453 ESP Fit Center 5870 is at -4.971443 2.835742 1.908453 ESP Fit Center 5871 is at -5.368858 2.715188 1.908453 ESP Fit Center 5872 is at -5.735118 2.519418 1.908453 ESP Fit Center 5873 is at -6.056148 2.255956 1.908453 ESP Fit Center 5874 is at -6.319610 1.934926 1.908453 ESP Fit Center 5875 is at -6.515380 1.568666 1.908453 ESP Fit Center 5876 is at -6.635935 1.171251 1.908453 ESP Fit Center 5877 is at -6.676641 0.757953 1.908453 ESP Fit Center 5878 is at -6.635935 0.344654 1.908453 ESP Fit Center 5879 is at -5.972644 2.390372 1.487058 ESP Fit Center 5880 is at -6.256020 2.093176 1.487058 ESP Fit Center 5881 is at -6.478029 1.747722 1.487058 ESP Fit Center 5882 is at -6.630650 1.366495 1.487058 ESP Fit Center 5883 is at -6.708364 0.963274 1.487058 ESP Fit Center 5884 is at -3.276627 3.712575 0.537371 ESP Fit Center 5885 is at 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3.535190 -1.489257 ESP Fit Center 5904 is at -3.557946 3.370025 -1.489257 ESP Fit Center 5905 is at -3.892431 3.121010 -1.489257 ESP Fit Center 5906 is at -2.764189 3.338456 -1.816576 ESP Fit Center 5907 is at -3.171438 3.253829 -1.816576 ESP Fit Center 5908 is at -3.540752 3.062465 -1.816576 ESP Fit Center 5909 is at -3.844742 2.778558 -1.816576 ESP Fit Center 5910 is at -2.451576 2.996466 -2.085199 ESP Fit Center 5911 is at -2.868342 2.996466 -2.085199 ESP Fit Center 5912 is at -3.259975 2.853924 -2.085199 ESP Fit Center 5913 is at -3.579237 2.586031 -2.085199 ESP Fit Center 5914 is at -3.787620 2.225101 -2.085199 ESP Fit Center 5915 is at -2.246661 2.530519 -2.284805 ESP Fit Center 5916 is at -2.659959 2.641262 -2.284805 ESP Fit Center 5917 is at -3.073257 2.530519 -2.284805 ESP Fit Center 5918 is at -3.375812 2.227964 -2.284805 ESP Fit Center 5919 is at -3.486555 1.814666 -2.284805 ESP Fit Center 5920 is at -3.375812 1.401368 -2.284805 ESP Fit Center 5921 is at -3.073257 1.098812 -2.284805 ESP Fit Center 5922 is at -1.944106 1.401368 -2.284805 ESP Fit Center 5923 is at -2.238564 1.814666 -2.407721 ESP Fit Center 5924 is at -2.449261 2.179605 -2.407721 ESP Fit Center 5925 is at -2.870656 2.179605 -2.407721 ESP Fit Center 5926 is at -3.081354 1.814666 -2.407721 ESP Fit Center 5927 is at -2.870656 1.449727 -2.407721 ESP Fit Center 5928 is at -2.449261 1.449727 -2.407721 ESP Fit Center 5929 is at -2.659959 1.814666 -2.449225 ESP Fit Center 5930 is at -2.463044 1.315066 3.568384 ESP Fit Center 5931 is at -2.041649 1.315066 3.526880 ESP Fit Center 5932 is at -2.252346 1.680005 3.526880 ESP Fit Center 5933 is at -2.673741 1.680005 3.526880 ESP Fit Center 5934 is at -2.884439 1.315066 3.526880 ESP Fit Center 5935 is at -2.673741 0.950128 3.526880 ESP Fit Center 5936 is at -2.252346 0.950128 3.526880 ESP Fit Center 5937 is at -1.636448 1.315066 3.403963 ESP Fit Center 5938 is at -1.747190 1.728365 3.403963 ESP Fit Center 5939 is at -2.049746 2.030920 3.403963 ESP Fit Center 5940 is at -2.463044 2.141663 3.403963 ESP Fit Center 5941 is at -2.876342 2.030920 3.403963 ESP Fit Center 5942 is at -3.178897 1.728365 3.403963 ESP Fit Center 5943 is at -3.289640 1.315066 3.403963 ESP Fit Center 5944 is at -3.178897 0.901768 3.403963 ESP Fit Center 5945 is at -2.876342 0.599213 3.403963 ESP Fit Center 5946 is at -2.463044 0.488470 3.403963 ESP Fit Center 5947 is at -2.049746 0.599213 3.403963 ESP Fit Center 5948 is at -1.747190 0.901768 3.403963 ESP Fit Center 5949 is at -1.263012 1.315066 3.204358 ESP Fit Center 5950 is at -1.335383 1.725501 3.204358 ESP Fit Center 5951 is at -1.543766 2.086432 3.204358 ESP Fit Center 5952 is at -1.863028 2.354324 3.204358 ESP Fit Center 5953 is at -2.254660 2.496867 3.204358 ESP Fit Center 5954 is at -2.671427 2.496867 3.204358 ESP Fit Center 5955 is at -3.063060 2.354324 3.204358 ESP Fit Center 5956 is at -3.382321 2.086432 3.204358 ESP Fit Center 5957 is at -3.590705 1.725501 3.204358 ESP Fit Center 5958 is at -3.063060 0.275809 3.204358 ESP Fit Center 5959 is at -2.671427 0.133266 3.204358 ESP Fit Center 5960 is at -2.254660 0.133266 3.204358 ESP Fit Center 5961 is at -1.863028 0.275809 3.204358 ESP Fit Center 5962 is at -1.543766 0.543701 3.204358 ESP Fit Center 5963 is at -1.335383 0.904631 3.204358 ESP Fit Center 5964 is at -0.935693 1.315066 2.935734 ESP Fit Center 5965 is at -0.992331 1.727141 2.935734 ESP Fit Center 5966 is at -1.158046 2.108653 2.935734 ESP Fit Center 5967 is at -1.420546 2.431309 2.935734 ESP Fit Center 5968 is at -1.760363 2.671179 2.935734 ESP Fit Center 5969 is at -2.152295 2.810471 2.935734 ESP Fit Center 5970 is at -2.567274 2.838856 2.935734 ESP Fit Center 5971 is at -2.974522 2.754229 2.935734 ESP Fit Center 5972 is at -3.343837 2.562866 2.935734 ESP Fit Center 5973 is at -3.647827 2.278959 2.935734 ESP Fit Center 5974 is at -2.974522 -0.124096 2.935734 ESP Fit Center 5975 is at -2.567274 -0.208724 2.935734 ESP Fit Center 5976 is at -0.992331 0.902992 2.935734 ESP Fit Center 5977 is at -0.667069 1.315066 2.608415 ESP Fit Center 5978 is at -0.715480 1.729247 2.608415 ESP Fit Center 5979 is at -0.858102 2.121098 2.608415 ESP Fit Center 5980 is at -1.087248 2.469497 2.608415 ESP Fit Center 5981 is at -1.390562 2.755659 2.608415 ESP Fit Center 5982 is at -1.751695 2.964159 2.608415 ESP Fit Center 5983 is at -2.151176 3.083756 2.608415 ESP Fit Center 5984 is at -2.567470 3.108002 2.608415 ESP Fit Center 5985 is at -2.978135 3.035591 2.608415 ESP Fit Center 5986 is at -3.361031 2.870426 2.608415 ESP Fit Center 5987 is at -3.695516 2.621411 2.608415 ESP Fit Center 5988 is at -0.715480 0.900886 2.608415 ESP Fit Center 5989 is at -1.465254 3.043289 2.234980 ESP Fit Center 5990 is at -1.846376 3.212976 2.234980 ESP Fit Center 5991 is at -2.254449 3.299714 2.234980 ESP Fit Center 5992 is at -2.671639 3.299714 2.234980 ESP Fit Center 5993 is at -3.079712 3.212976 2.234980 ESP Fit Center 5994 is at -3.460834 3.043289 2.234980 ESP Fit Center 5995 is at -3.798347 2.798071 2.234980 ESP Fit Center 5996 is at -2.463044 3.433563 1.829779 ESP Fit Center 5997 is at -2.876342 3.392856 1.829779 ESP Fit Center 5998 is at -3.273757 3.272302 1.829779 ESP Fit Center 5999 is at 3.218819 -0.335420 -2.990179 ESP Fit Center 6000 is at 3.423069 -0.791039 -3.073485 ESP Fit Center 6001 is at 3.014569 -0.791039 -3.073485 ESP Fit Center 6002 is at 3.218819 -1.144811 -3.101427 ESP Fit Center 6003 is at 3.771109 -1.435865 4.289415 ESP Fit Center 6004 is at 4.179609 -1.435865 4.261473 ESP Fit Center 6005 is at 3.975359 -1.082094 4.261473 ESP Fit Center 6006 is at 3.566859 -1.082094 4.261473 ESP Fit Center 6007 is at 3.362609 -1.435865 4.261473 ESP Fit Center 6008 is at 3.566859 -1.789636 4.261473 ESP Fit Center 6009 is at 3.975359 -1.789636 4.261473 ESP Fit Center 6010 is at 4.580499 -1.435865 4.178167 ESP Fit Center 6011 is at 4.472062 -1.031170 4.178167 ESP Fit Center 6012 is at 4.175804 -0.734913 4.178167 ESP Fit Center 6013 is at 3.771109 -0.626475 4.178167 ESP Fit Center 6014 is at 3.366414 -0.734913 4.178167 ESP Fit Center 6015 is at 3.771109 -2.245255 4.178167 ESP Fit Center 6016 is at 4.175804 -2.136818 4.178167 ESP Fit Center 6017 is at 4.472062 -1.840560 4.178167 ESP Fit Center 6018 is at 4.966312 -1.435865 4.041049 ESP Fit Center 6019 is at 4.894233 -1.027082 4.041049 ESP Fit Center 6020 is at 3.563564 -0.258820 4.041049 ESP Fit Center 6021 is at 3.173507 -0.400789 4.041049 ESP Fit Center 6022 is at 2.855530 -0.667603 4.041049 ESP Fit Center 6023 is at 3.978654 -2.612911 4.041049 ESP Fit Center 6024 is at 4.368711 -2.470942 4.041049 ESP Fit Center 6025 is at 4.686688 -2.204127 4.041049 ESP Fit Center 6026 is at 4.894233 -1.844649 4.041049 ESP Fit Center 6027 is at 5.329861 -1.435865 3.852673 ESP Fit Center 6028 is at 5.272058 -1.015319 3.852673 ESP Fit Center 6029 is at 2.872208 -0.162412 3.852673 ESP Fit Center 6030 is at 2.561968 -0.452156 3.852673 ESP Fit Center 6031 is at 4.088246 -2.962014 3.852673 ESP Fit Center 6032 is at 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Fit Center 6051 is at 2.047681 -0.080547 3.337074 ESP Fit Center 6052 is at 3.875433 -3.625890 3.337074 ESP Fit Center 6053 is at 4.288012 -3.566570 3.337074 ESP Fit Center 6054 is at 4.681910 -3.430240 3.337074 ESP Fit Center 6055 is at 5.042888 -3.221829 3.337074 ESP Fit Center 6056 is at 5.615564 -2.621224 3.337074 ESP Fit Center 6057 is at 5.806563 -2.250738 3.337074 ESP Fit Center 6058 is at 5.923995 -1.850800 3.337074 ESP Fit Center 6059 is at 6.222019 -1.435865 3.019456 ESP Fit Center 6060 is at 6.186765 -1.021659 3.019456 ESP Fit Center 6061 is at 2.313717 0.534659 3.019456 ESP Fit Center 6062 is at 2.001660 0.260015 3.019456 ESP Fit Center 6063 is at 1.740507 -0.063418 3.019456 ESP Fit Center 6064 is at 3.875129 -3.884566 3.019456 ESP Fit Center 6065 is at 4.287465 -3.831765 3.019456 ESP Fit Center 6066 is at 6.186765 -1.850071 3.019456 ESP Fit Center 6067 is at 6.434765 -1.435865 2.669610 ESP Fit Center 6068 is at 6.401971 -1.019178 2.669610 ESP Fit Center 6069 is at 3.771109 -4.099521 2.669610 ESP Fit Center 6070 is at 4.187797 -4.066727 2.669610 ESP Fit Center 6071 is at 6.597892 -1.435865 2.294054 ESP Fit Center 6072 is at 6.567768 -1.024282 2.294054 ESP Fit Center 6073 is at 3.257661 -4.215626 2.294054 ESP Fit Center 6074 is at 3.667869 -4.260762 2.294054 ESP Fit Center 6075 is at 6.679776 -1.027079 1.899783 ESP Fit Center 6076 is at 6.594577 -0.626249 1.899783 ESP Fit Center 6077 is at 3.060523 -4.285868 1.899783 ESP Fit Center 6078 is at 3.464083 -4.357027 1.899783 ESP Fit Center 6079 is at 3.873618 -4.371328 1.899783 ESP Fit Center 6080 is at 6.734988 -1.019319 1.494142 ESP Fit Center 6081 is at 6.648171 -0.610881 1.494142 ESP Fit Center 6082 is at 2.649909 -4.210932 1.494142 ESP Fit Center 6083 is at 3.047035 -4.339966 1.494142 ESP Fit Center 6084 is at 3.458255 -4.412475 1.494142 ESP Fit Center 6085 is at 6.734988 -1.019319 1.084688 ESP Fit Center 6086 is at 6.648171 -0.610881 1.084688 ESP Fit Center 6087 is at 6.505356 -0.218500 1.084688 ESP Fit Center 6088 is at 6.679776 -1.027079 0.679047 ESP Fit Center 6089 is at 6.594577 -0.626249 0.679047 ESP Fit Center 6090 is at 6.454423 -0.241177 0.679047 ESP Fit Center 6091 is at 6.262040 0.120641 0.679047 ESP Fit Center 6092 is at 6.567768 -1.024282 0.284776 ESP Fit Center 6093 is at 6.478038 -0.621472 0.284776 ESP Fit Center 6094 is at 6.330615 -0.236018 0.284776 ESP Fit Center 6095 is at 6.128640 0.123862 0.284776 ESP Fit Center 6096 is at 6.401971 -1.019178 -0.090780 ESP Fit Center 6097 is at 1.336348 -3.673995 1.428468 ESP Fit Center 6098 is at 1.650223 -3.940603 1.428468 ESP Fit Center 6099 is at 2.014073 -4.133504 1.428468 ESP Fit Center 6100 is at 2.410884 -4.243678 1.428468 ESP Fit Center 6101 is at 0.998224 -3.717512 1.121695 ESP Fit Center 6102 is at 1.285421 -4.018716 1.121695 ESP Fit Center 6103 is at 1.624431 -4.260124 1.121695 ESP Fit Center 6104 is at 2.003001 -4.433011 1.121695 ESP Fit Center 6105 is at 2.407450 -4.531129 1.121695 ESP Fit Center 6106 is at 2.823158 -4.550932 1.121695 ESP Fit Center 6107 is at 0.968344 -4.042146 0.775923 ESP Fit Center 6108 is at 1.277086 -4.313873 0.775923 ESP Fit Center 6109 is at 1.627309 -4.529513 0.775923 ESP Fit Center 6110 is at 2.008937 -4.682864 0.775923 ESP Fit Center 6111 is at 2.410993 -4.769514 0.775923 ESP Fit Center 6112 is at 0.875959 -4.207319 0.398878 ESP Fit Center 6113 is at 1.186964 -4.472943 0.398878 ESP Fit Center 6114 is at 1.535693 -4.686644 0.398878 ESP Fit Center 6115 is at 1.913559 -4.843161 0.398878 ESP Fit Center 6116 is at 2.311257 -4.938640 0.398878 ESP Fit Center 6117 is at 0.612985 -4.101097 -0.001018 ESP Fit Center 6118 is at 0.902790 -4.402223 -0.001018 ESP Fit Center 6119 is at 1.235165 -4.655581 -0.001018 ESP Fit Center 6120 is at 1.602320 -4.855234 -0.001018 ESP Fit Center 6121 is at 1.995649 -4.996500 -0.001018 ESP Fit Center 6122 is at 0.672189 -4.263441 -0.414833 ESP Fit Center 6123 is at 0.978105 -4.547290 -0.414833 ESP Fit Center 6124 is at 1.322910 -4.782374 -0.414833 ESP Fit Center 6125 is at 1.698900 -4.963441 -0.414833 ESP Fit Center 6126 is at 2.097679 -5.086448 -0.414833 ESP Fit Center 6127 is at 0.411995 -3.937169 -0.833321 ESP Fit Center 6128 is at 0.672189 -4.263441 -0.833321 ESP Fit Center 6129 is at 0.978105 -4.547290 -0.833321 ESP Fit Center 6130 is at 1.322910 -4.782374 -0.833321 ESP Fit Center 6131 is at 1.698900 -4.963441 -0.833321 ESP Fit Center 6132 is at 2.097679 -5.086448 -0.833321 ESP Fit Center 6133 is at 0.372543 -3.759261 -1.247135 ESP Fit Center 6134 is at 0.612985 -4.101097 -1.247135 ESP Fit Center 6135 is at 0.902790 -4.402223 -1.247135 ESP Fit Center 6136 is at 1.235165 -4.655581 -1.247135 ESP Fit Center 6137 is at 1.602320 -4.855234 -1.247135 ESP Fit Center 6138 is at 1.995649 -4.996500 -1.247135 ESP Fit Center 6139 is at 0.396634 -3.547585 -1.647032 ESP Fit Center 6140 is at 0.610335 -3.896314 -1.647032 ESP Fit Center 6141 is at 0.875959 -4.207319 -1.647032 ESP Fit Center 6142 is at 1.186964 -4.472943 -1.647032 ESP Fit Center 6143 is at 1.535693 -4.686644 -1.647032 ESP Fit Center 6144 is at 1.913559 -4.843161 -1.647032 ESP Fit Center 6145 is at 2.311257 -4.938640 -1.647032 ESP Fit Center 6146 is at 0.372367 -2.975297 -2.024077 ESP Fit Center 6147 is at 0.509383 -3.363091 -2.024077 ESP Fit Center 6148 is at 0.709966 -3.722150 -2.024077 ESP Fit Center 6149 is at 0.968344 -4.042146 -2.024077 ESP Fit Center 6150 is at 1.277086 -4.313873 -2.024077 ESP Fit Center 6151 is at 1.627309 -4.529513 -2.024077 ESP Fit Center 6152 is at 2.008937 -4.682864 -2.024077 ESP Fit Center 6153 is at 2.410993 -4.769514 -2.024077 ESP Fit Center 6154 is at 0.539779 -2.572373 -2.369848 ESP Fit Center 6155 is at 0.618542 -2.981032 -2.369848 ESP Fit Center 6156 is at 0.773220 -3.367400 -2.369848 ESP Fit Center 6157 is at 0.998224 -3.717512 -2.369848 ESP Fit Center 6158 is at 1.285421 -4.018716 -2.369848 ESP Fit Center 6159 is at 1.624431 -4.260124 -2.369848 ESP Fit Center 6160 is at 2.003001 -4.433011 -2.369848 ESP Fit Center 6161 is at 2.407450 -4.531129 -2.369848 ESP Fit Center 6162 is at 0.825675 -2.158372 -2.676622 ESP Fit Center 6163 is at 0.825675 -2.570194 -2.676622 ESP Fit Center 6164 is at 0.914205 -2.972388 -2.676622 ESP Fit Center 6165 is at 1.087124 -3.346147 -2.676622 ESP Fit Center 6166 is at 1.336348 -3.673995 -2.676622 ESP Fit Center 6167 is at 1.650223 -3.940603 -2.676622 ESP Fit Center 6168 is at 2.014073 -4.133504 -2.676622 ESP Fit Center 6169 is at 2.410884 -4.243678 -2.676622 ESP Fit Center 6170 is at 2.822102 -4.265974 -2.676622 ESP Fit Center 6171 is at 4.296291 -2.364283 -2.937545 ESP Fit Center 6172 is at 4.242546 -1.956049 -2.937545 ESP Fit Center 6173 is at 1.603678 -1.248966 -2.937545 ESP Fit Center 6174 is at 1.353016 -1.575635 -2.937545 ESP Fit Center 6175 is at 1.195444 -1.956049 -2.937545 ESP Fit Center 6176 is at 1.141699 -2.364283 -2.937545 ESP Fit Center 6177 is at 1.195444 -2.772517 -2.937545 ESP Fit Center 6178 is at 1.353016 -3.152931 -2.937545 ESP Fit Center 6179 is at 1.603678 -3.479600 -2.937545 ESP Fit Center 6180 is at 1.930347 -3.730262 -2.937545 ESP Fit Center 6181 is at 2.310761 -3.887834 -2.937545 ESP Fit Center 6182 is at 2.718995 -3.941579 -2.937545 ESP Fit Center 6183 is at 3.127229 -3.887834 -2.937545 ESP Fit Center 6184 is at 3.933869 -2.364283 -3.146790 ESP Fit Center 6185 is at 3.860604 -1.948772 -3.146790 ESP Fit Center 6186 is at 3.649643 -1.583377 -3.146790 ESP Fit Center 6187 is at 3.326432 -1.312171 -3.146790 ESP Fit Center 6188 is at 2.929956 -1.167865 -3.146790 ESP Fit Center 6189 is at 2.508034 -1.167865 -3.146790 ESP Fit Center 6190 is at 2.111558 -1.312171 -3.146790 ESP Fit Center 6191 is at 1.788347 -1.583377 -3.146790 ESP Fit Center 6192 is at 1.577386 -1.948772 -3.146790 ESP Fit Center 6193 is at 1.504120 -2.364283 -3.146790 ESP Fit Center 6194 is at 1.577386 -2.779795 -3.146790 ESP Fit Center 6195 is at 1.788347 -3.145189 -3.146790 ESP Fit Center 6196 is at 2.111558 -3.416395 -3.146790 ESP Fit Center 6197 is at 2.508034 -3.560701 -3.146790 ESP Fit Center 6198 is at 2.929956 -3.560701 -3.146790 ESP Fit Center 6199 is at 3.326432 -3.416395 -3.146790 ESP Fit Center 6200 is at 3.649643 -3.145189 -3.146790 ESP Fit Center 6201 is at 3.860604 -2.779795 -3.146790 ESP Fit Center 6202 is at 3.544309 -2.364283 -3.299681 ESP Fit Center 6203 is at 3.433738 -1.951626 -3.299681 ESP Fit Center 6204 is at 3.131652 -1.649540 -3.299681 ESP Fit Center 6205 is at 2.718995 -1.538969 -3.299681 ESP Fit Center 6206 is at 2.306338 -1.649540 -3.299681 ESP Fit Center 6207 is at 2.004252 -1.951626 -3.299681 ESP Fit Center 6208 is at 1.893680 -2.364283 -3.299681 ESP Fit Center 6209 is at 2.004252 -2.776940 -3.299681 ESP Fit Center 6210 is at 2.306338 -3.079026 -3.299681 ESP Fit Center 6211 is at 2.718995 -3.189598 -3.299681 ESP Fit Center 6212 is at 3.131652 -3.079026 -3.299681 ESP Fit Center 6213 is at 3.433738 -2.776940 -3.299681 ESP Fit Center 6214 is at 3.136313 -2.364283 -3.392803 ESP Fit Center 6215 is at 2.927654 -2.002875 -3.392803 ESP Fit Center 6216 is at 2.510336 -2.002875 -3.392803 ESP Fit Center 6217 is at 2.301677 -2.364283 -3.392803 ESP Fit Center 6218 is at 2.510336 -2.725691 -3.392803 ESP Fit Center 6219 is at 2.927654 -2.725691 -3.392803 ESP Fit Center 6220 is at 2.718995 -2.364283 -3.424077 ESP Fit Center 6221 is at -0.785434 2.651102 2.635421 ESP Fit Center 6222 is at -0.576775 3.012510 2.604148 ESP Fit Center 6223 is at -0.994093 3.012510 2.604148 ESP Fit Center 6224 is at -0.372777 3.365845 2.511025 ESP Fit Center 6225 is at -0.785434 3.476416 2.511025 ESP Fit Center 6226 is at -1.198091 3.365845 2.511025 ESP Fit Center 6227 is at 0.145214 3.432008 2.358134 ESP Fit Center 6228 is at -0.177997 3.703214 2.358134 ESP Fit Center 6229 is at -0.574473 3.847520 2.358134 ESP Fit Center 6230 is at -0.996395 3.847520 2.358134 ESP Fit Center 6231 is at -1.392871 3.703214 2.358134 ESP Fit Center 6232 is at -1.716082 3.432008 2.358134 ESP Fit Center 6233 is at 0.329883 3.766419 2.148890 ESP Fit Center 6234 is at 0.003214 4.017080 2.148890 ESP Fit Center 6235 is at -0.377200 4.174653 2.148890 ESP Fit Center 6236 is at -0.785434 4.228398 2.148890 ESP Fit Center 6237 is at -1.193668 4.174653 2.148890 ESP Fit Center 6238 is at -1.574082 4.017080 2.148890 ESP Fit Center 6239 is at -1.900751 3.766419 2.148890 ESP Fit Center 6240 is at 0.447503 4.102627 1.887967 ESP Fit Center 6241 is at 0.106642 4.333736 1.887967 ESP Fit Center 6242 is at -0.275931 4.486167 1.887967 ESP Fit Center 6243 is at -0.682327 4.552792 1.887967 ESP Fit Center 6244 is at -1.093545 4.530497 1.887967 ESP Fit Center 6245 is at -1.490356 4.420323 1.887967 ESP Fit Center 6246 is at -1.854206 4.227422 1.887967 ESP Fit Center 6247 is at -2.168080 3.960814 1.887967 ESP Fit Center 6248 is at 0.484385 4.434313 1.581193 ESP Fit Center 6249 is at 0.123963 4.642403 1.581193 ESP Fit Center 6250 is at -0.269327 4.778522 1.581193 ESP Fit Center 6251 is at -0.681271 4.837750 1.581193 ESP Fit Center 6252 is at -1.096979 4.817948 1.581193 ESP Fit Center 6253 is at -1.501428 4.719830 1.581193 ESP Fit Center 6254 is at -1.879998 4.546942 1.581193 ESP Fit Center 6255 is at -2.219008 4.305535 1.581193 ESP Fit Center 6256 is at -2.506205 4.004331 1.581193 ESP Fit Center 6257 is at 0.485944 4.715950 1.235421 ESP Fit Center 6258 is at 0.118695 4.901113 1.235421 ESP Fit Center 6259 is at -0.274564 5.021547 1.235421 ESP Fit Center 6260 is at -0.682519 5.073788 1.235421 ESP Fit Center 6261 is at -1.093436 5.056333 1.235421 ESP Fit Center 6262 is at -1.495491 4.969683 1.235421 ESP Fit Center 6263 is at -1.877120 4.816332 1.235421 ESP Fit Center 6264 is at -2.227343 4.600691 1.235421 ESP Fit Center 6265 is at -2.536084 4.328964 1.235421 ESP Fit Center 6266 is at -2.794463 4.008969 1.235421 ESP Fit Center 6267 is at 0.397868 4.973463 0.858376 ESP Fit Center 6268 is at 0.020002 5.129980 0.858376 ESP Fit Center 6269 is at -0.377696 5.225459 0.858376 ESP Fit Center 6270 is at -0.785434 5.257548 0.858376 ESP Fit Center 6271 is at -1.193172 5.225459 0.858376 ESP Fit Center 6272 is at -1.590870 5.129980 0.858376 ESP Fit Center 6273 is at -1.968736 4.973463 0.858376 ESP Fit Center 6274 is at -2.317465 4.759761 0.858376 ESP Fit Center 6275 is at -2.628470 4.494138 0.858376 ESP Fit Center 6276 is at -2.894093 4.183133 0.858376 ESP Fit Center 6277 is at 0.137284 5.220224 0.458480 ESP Fit Center 6278 is at -0.265705 5.330967 0.458480 ESP Fit Center 6279 is at -0.680875 5.378897 0.458480 ESP Fit Center 6280 is at -1.098497 5.362889 0.458480 ESP Fit Center 6281 is at -1.508780 5.283319 0.458480 ESP Fit Center 6282 is at -1.902109 5.142053 0.458480 ESP Fit Center 6283 is at -2.269264 4.942400 0.458480 ESP Fit Center 6284 is at -2.601639 4.689041 0.458480 ESP Fit Center 6285 is at -2.891444 4.387915 0.458480 ESP Fit Center 6286 is at -3.131885 4.046080 0.458480 ESP Fit Center 6287 is at 0.234661 5.250260 0.044666 ESP Fit Center 6288 is at -0.164118 5.373267 0.044666 ESP Fit Center 6289 is at -0.576775 5.435465 0.044666 ESP Fit Center 6290 is at -0.994093 5.435465 0.044666 ESP Fit Center 6291 is at -1.406750 5.373267 0.044666 ESP Fit Center 6292 is at -1.805528 5.250260 0.044666 ESP Fit Center 6293 is at -2.181519 5.069193 0.044666 ESP Fit Center 6294 is at -2.526324 4.834109 0.044666 ESP Fit Center 6295 is at -2.832240 4.550260 0.044666 ESP Fit Center 6296 is at -3.092434 4.223988 0.044666 ESP Fit Center 6297 is at 0.234661 5.250260 -0.373823 ESP Fit Center 6298 is at -0.164118 5.373267 -0.373823 ESP Fit Center 6299 is at -0.576775 5.435465 -0.373823 ESP Fit Center 6300 is at -0.994093 5.435465 -0.373823 ESP Fit Center 6301 is at -1.406750 5.373267 -0.373823 ESP Fit Center 6302 is at -1.805528 5.250260 -0.373823 ESP Fit Center 6303 is at -2.181519 5.069193 -0.373823 ESP Fit Center 6304 is at -2.526324 4.834109 -0.373823 ESP Fit Center 6305 is at -2.832240 4.550260 -0.373823 ESP Fit Center 6306 is at -3.092434 4.223988 -0.373823 ESP Fit Center 6307 is at 0.137284 5.220224 -0.787637 ESP Fit Center 6308 is at -0.265705 5.330967 -0.787637 ESP Fit Center 6309 is at -0.680875 5.378897 -0.787637 ESP Fit Center 6310 is at -1.098497 5.362889 -0.787637 ESP Fit Center 6311 is at -1.508780 5.283319 -0.787637 ESP Fit Center 6312 is at -1.902109 5.142053 -0.787637 ESP Fit Center 6313 is at -2.269264 4.942400 -0.787637 ESP Fit Center 6314 is at -2.601639 4.689041 -0.787637 ESP Fit Center 6315 is at -2.891444 4.387915 -0.787637 ESP Fit Center 6316 is at 0.397868 4.973463 -1.187534 ESP Fit Center 6317 is at 0.020002 5.129980 -1.187534 ESP Fit Center 6318 is at -0.377696 5.225459 -1.187534 ESP Fit Center 6319 is at -0.785434 5.257548 -1.187534 ESP Fit Center 6320 is at -1.193172 5.225459 -1.187534 ESP Fit Center 6321 is at -1.590870 5.129980 -1.187534 ESP Fit Center 6322 is at -1.968736 4.973463 -1.187534 ESP Fit Center 6323 is at -2.317465 4.759761 -1.187534 ESP Fit Center 6324 is at -2.628470 4.494138 -1.187534 ESP Fit Center 6325 is at -2.894093 4.183133 -1.187534 ESP Fit Center 6326 is at 0.118695 4.901113 -1.564579 ESP Fit Center 6327 is at -0.274564 5.021547 -1.564579 ESP Fit Center 6328 is at -0.682519 5.073788 -1.564579 ESP Fit Center 6329 is at -1.093436 5.056333 -1.564579 ESP Fit Center 6330 is at -1.495491 4.969683 -1.564579 ESP Fit Center 6331 is at -1.877120 4.816332 -1.564579 ESP Fit Center 6332 is at -2.227343 4.600691 -1.564579 ESP Fit Center 6333 is at -2.536084 4.328964 -1.564579 ESP Fit Center 6334 is at -2.794463 4.008969 -1.564579 ESP Fit Center 6335 is at 0.484385 4.434313 -1.910350 ESP Fit Center 6336 is at 0.123963 4.642403 -1.910350 ESP Fit Center 6337 is at -0.269327 4.778522 -1.910350 ESP Fit Center 6338 is at -0.681271 4.837750 -1.910350 ESP Fit Center 6339 is at -1.096979 4.817948 -1.910350 ESP Fit Center 6340 is at -1.501428 4.719830 -1.910350 ESP Fit Center 6341 is at -1.879998 4.546942 -1.910350 ESP Fit Center 6342 is at -2.219008 4.305535 -1.910350 ESP Fit Center 6343 is at -2.506205 4.004331 -1.910350 ESP Fit Center 6344 is at -2.731209 3.654218 -1.910350 ESP Fit Center 6345 is at 0.447503 4.102627 -2.217124 ESP Fit Center 6346 is at 0.106642 4.333736 -2.217124 ESP Fit Center 6347 is at -0.275931 4.486167 -2.217124 ESP Fit Center 6348 is at -0.682327 4.552792 -2.217124 ESP Fit Center 6349 is at -1.093545 4.530497 -2.217124 ESP Fit Center 6350 is at -1.490356 4.420323 -2.217124 ESP Fit Center 6351 is at -1.854206 4.227422 -2.217124 ESP Fit Center 6352 is at -2.168080 3.960814 -2.217124 ESP Fit Center 6353 is at -2.417304 3.632966 -2.217124 ESP Fit Center 6354 is at -2.590224 3.259206 -2.217124 ESP Fit Center 6355 is at 0.329883 3.766419 -2.478047 ESP Fit Center 6356 is at 0.003214 4.017080 -2.478047 ESP Fit Center 6357 is at -0.377200 4.174653 -2.478047 ESP Fit Center 6358 is at -0.785434 4.228398 -2.478047 ESP Fit Center 6359 is at -1.193668 4.174653 -2.478047 ESP Fit Center 6360 is at -1.574082 4.017080 -2.478047 ESP Fit Center 6361 is at -1.900751 3.766419 -2.478047 ESP Fit Center 6362 is at -2.151412 3.439750 -2.478047 ESP Fit Center 6363 is at -2.308985 3.059336 -2.478047 ESP Fit Center 6364 is at 0.145214 3.432008 -2.687292 ESP Fit Center 6365 is at -0.177997 3.703214 -2.687292 ESP Fit Center 6366 is at -0.574473 3.847520 -2.687292 ESP Fit Center 6367 is at -0.996395 3.847520 -2.687292 ESP Fit Center 6368 is at -1.392871 3.703214 -2.687292 ESP Fit Center 6369 is at -1.716082 3.432008 -2.687292 ESP Fit Center 6370 is at -1.927042 3.066613 -2.687292 ESP Fit Center 6371 is at -2.000308 2.651102 -2.687292 ESP Fit Center 6372 is at -1.927042 2.235590 -2.687292 ESP Fit Center 6373 is at -1.716082 1.870196 -2.687292 ESP Fit Center 6374 is at -0.372777 3.365845 -2.840183 ESP Fit Center 6375 is at -0.785434 3.476416 -2.840183 ESP Fit Center 6376 is at -1.198091 3.365845 -2.840183 ESP Fit Center 6377 is at -1.500177 3.063759 -2.840183 ESP Fit Center 6378 is at -1.610748 2.651102 -2.840183 ESP Fit Center 6379 is at -1.500177 2.238445 -2.840183 ESP Fit Center 6380 is at -0.576775 3.012510 -2.933305 ESP Fit Center 6381 is at -0.994093 3.012510 -2.933305 ESP Fit Center 6382 is at -1.202752 2.651102 -2.933305 ESP Fit Center 6383 is at -0.994093 2.289694 -2.933305 ESP Fit Center 6384 is at -0.785434 2.651102 -2.964579 ESP Fit Center 6385 is at 0.069879 1.759783 2.849585 ESP Fit Center 6386 is at 0.478379 1.759783 2.821642 ESP Fit Center 6387 is at 0.274129 2.113554 2.821642 ESP Fit Center 6388 is at -0.134371 2.113554 2.821642 ESP Fit Center 6389 is at -0.338621 1.759783 2.821642 ESP Fit Center 6390 is at -0.134371 1.406012 2.821642 ESP Fit Center 6391 is at 0.274129 1.406012 2.821642 ESP Fit Center 6392 is at 0.770832 2.164478 2.738336 ESP Fit Center 6393 is at 0.474574 2.460736 2.738336 ESP Fit Center 6394 is at 0.069879 2.569173 2.738336 ESP Fit Center 6395 is at -0.334816 2.460736 2.738336 ESP Fit Center 6396 is at -0.631073 2.164478 2.738336 ESP Fit Center 6397 is at 0.770832 1.355088 2.738336 ESP Fit Center 6398 is at 0.277424 2.936829 2.601218 ESP Fit Center 6399 is at -0.137666 2.936829 2.601218 ESP Fit Center 6400 is at 0.387017 3.285932 2.412843 ESP Fit Center 6401 is at -1.474354 1.547533 -2.713674 ESP Fit Center 6402 is at 0.277424 2.936829 -2.902049 ESP Fit Center 6403 is at -0.137666 2.936829 -2.902049 ESP Fit Center 6404 is at -1.125324 1.759783 -2.902049 ESP Fit Center 6405 is at -1.053245 1.351000 -2.902049 ESP Fit Center 6406 is at 0.474574 2.460736 -3.039167 ESP Fit Center 6407 is at 0.069879 2.569173 -3.039167 ESP Fit Center 6408 is at -0.334816 2.460736 -3.039167 ESP Fit Center 6409 is at -0.631073 2.164478 -3.039167 ESP Fit Center 6410 is at -0.739511 1.759783 -3.039167 ESP Fit Center 6411 is at -0.631073 1.355088 -3.039167 ESP Fit Center 6412 is at -0.334816 1.058831 -3.039167 ESP Fit Center 6413 is at 0.069879 0.950393 -3.039167 ESP Fit Center 6414 is at 0.474574 1.058831 -3.039167 ESP Fit Center 6415 is at 0.770832 1.355088 -3.039167 ESP Fit Center 6416 is at 0.478379 1.759783 -3.122473 ESP Fit Center 6417 is at 0.274129 2.113554 -3.122473 ESP Fit Center 6418 is at -0.134371 2.113554 -3.122473 ESP Fit Center 6419 is at -0.338621 1.759783 -3.122473 ESP Fit Center 6420 is at -0.134371 1.406012 -3.122473 ESP Fit Center 6421 is at 0.274129 1.406012 -3.122473 ESP Fit Center 6422 is at 0.069879 1.759783 -3.150415 ESP Fit Center 6423 is at 1.411788 2.071848 2.803608 ESP Fit Center 6424 is at 1.820288 2.071848 2.775666 ESP Fit Center 6425 is at 1.616038 2.425620 2.775666 ESP Fit Center 6426 is at 1.207538 2.425620 2.775666 ESP Fit Center 6427 is at 1.003288 2.071848 2.775666 ESP Fit Center 6428 is at 1.207538 1.718077 2.775666 ESP Fit Center 6429 is at 1.616038 1.718077 2.775666 ESP Fit Center 6430 is at 2.221178 2.071848 2.692360 ESP Fit Center 6431 is at 2.112740 2.476544 2.692360 ESP Fit Center 6432 is at 1.816483 2.772801 2.692360 ESP Fit Center 6433 is at 1.411788 2.881239 2.692360 ESP Fit Center 6434 is at 1.007092 2.772801 2.692360 ESP Fit Center 6435 is at 0.710835 2.476544 2.692360 ESP Fit Center 6436 is at 1.007092 1.370896 2.692360 ESP Fit Center 6437 is at 1.411788 1.262458 2.692360 ESP Fit Center 6438 is at 2.534911 2.480632 2.555242 ESP Fit Center 6439 is at 2.327366 2.840110 2.555242 ESP Fit Center 6440 is at 2.009389 3.106925 2.555242 ESP Fit Center 6441 is at 1.619332 3.248894 2.555242 ESP Fit Center 6442 is at 1.204243 3.248894 2.555242 ESP Fit Center 6443 is at 0.814186 3.106925 2.555242 ESP Fit Center 6444 is at 1.204243 0.894803 2.555242 ESP Fit Center 6445 is at 2.743615 2.881751 2.366867 ESP Fit Center 6446 is at 2.475719 3.211040 2.366867 ESP Fit Center 6447 is at 2.128915 3.455841 2.366867 ESP Fit Center 6448 is at 1.728925 3.597998 2.366867 ESP Fit Center 6449 is at 1.305415 3.626967 2.366867 ESP Fit Center 6450 is at 0.889793 3.540599 2.366867 ESP Fit Center 6451 is at 0.512886 3.345302 2.366867 ESP Fit Center 6452 is at 2.919002 3.217603 2.130742 ESP Fit Center 6453 is at 2.637461 3.514822 2.130742 ESP Fit Center 6454 is at 2.298608 3.744570 2.130742 ESP Fit Center 6455 is at 1.918289 3.896103 2.130742 ESP Fit Center 6456 is at 1.514287 3.962336 2.130742 ESP Fit Center 6457 is at 1.105492 3.940171 2.130742 ESP Fit Center 6458 is at 0.711018 3.830647 2.130742 ESP Fit Center 6459 is at 2.998580 3.584852 1.851268 ESP Fit Center 6460 is at 2.683567 3.857813 1.851268 ESP Fit Center 6461 is at 1.099761 4.242040 1.851268 ESP Fit Center 6462 is at 0.694689 4.143770 1.851268 ESP Fit Center 6463 is at 0.694105 4.415327 1.533649 ESP Fit Center 6464 is at 2.998580 3.584852 -2.244051 ESP Fit Center 6465 is at 0.694689 4.143770 -2.244051 ESP Fit Center 6466 is at 2.919002 3.217603 -2.523525 ESP Fit Center 6467 is at 2.637461 3.514822 -2.523525 ESP Fit Center 6468 is at 2.298608 3.744570 -2.523525 ESP Fit Center 6469 is at 1.918289 3.896103 -2.523525 ESP Fit Center 6470 is at 1.514287 3.962336 -2.523525 ESP Fit Center 6471 is at 1.105492 3.940171 -2.523525 ESP Fit Center 6472 is at 0.711018 3.830647 -2.523525 ESP Fit Center 6473 is at 2.743615 2.881751 -2.759650 ESP Fit Center 6474 is at 2.475719 3.211040 -2.759650 ESP Fit Center 6475 is at 2.128915 3.455841 -2.759650 ESP Fit Center 6476 is at 1.728925 3.597998 -2.759650 ESP Fit Center 6477 is at 1.305415 3.626967 -2.759650 ESP Fit Center 6478 is at 0.889793 3.540599 -2.759650 ESP Fit Center 6479 is at 0.512886 3.345302 -2.759650 ESP Fit Center 6480 is at 2.534911 2.480632 -2.948025 ESP Fit Center 6481 is at 2.327366 2.840110 -2.948025 ESP Fit Center 6482 is at 2.009389 3.106925 -2.948025 ESP Fit Center 6483 is at 1.619332 3.248894 -2.948025 ESP Fit Center 6484 is at 1.204243 3.248894 -2.948025 ESP Fit Center 6485 is at 0.814186 3.106925 -2.948025 ESP Fit Center 6486 is at 0.496209 2.840110 -2.948025 ESP Fit Center 6487 is at 1.204243 0.894803 -2.948025 ESP Fit Center 6488 is at 2.221178 2.071848 -3.085143 ESP Fit Center 6489 is at 2.112740 2.476544 -3.085143 ESP Fit Center 6490 is at 1.816483 2.772801 -3.085143 ESP Fit Center 6491 is at 1.411788 2.881239 -3.085143 ESP Fit Center 6492 is at 1.007092 2.772801 -3.085143 ESP Fit Center 6493 is at 0.710835 2.476544 -3.085143 ESP Fit Center 6494 is at 0.710835 1.667153 -3.085143 ESP Fit Center 6495 is at 1.007092 1.370896 -3.085143 ESP Fit Center 6496 is at 1.411788 1.262458 -3.085143 ESP Fit Center 6497 is at 1.820288 2.071848 -3.168449 ESP Fit Center 6498 is at 1.616038 2.425620 -3.168449 ESP Fit Center 6499 is at 1.207538 2.425620 -3.168449 ESP Fit Center 6500 is at 1.003288 2.071848 -3.168449 ESP Fit Center 6501 is at 1.207538 1.718077 -3.168449 ESP Fit Center 6502 is at 1.616038 1.718077 -3.168449 ESP Fit Center 6503 is at 1.411788 2.071848 -3.196392 ESP Fit Center 6504 is at 2.469054 1.176705 2.817549 ESP Fit Center 6505 is at 2.673304 1.530476 2.789606 ESP Fit Center 6506 is at 2.264804 1.530476 2.789606 ESP Fit Center 6507 is at 2.060554 1.176705 2.789606 ESP Fit Center 6508 is at 2.264804 0.822933 2.789606 ESP Fit Center 6509 is at 3.170007 1.581400 2.706300 ESP Fit Center 6510 is at 2.873750 1.877657 2.706300 ESP Fit Center 6511 is at 2.469054 1.986095 2.706300 ESP Fit Center 6512 is at 1.659664 1.176705 2.706300 ESP Fit Center 6513 is at 3.384633 1.944966 2.569182 ESP Fit Center 6514 is at 3.066656 2.211781 2.569182 ESP Fit Center 6515 is at 2.676599 2.353750 2.569182 ESP Fit Center 6516 is at 3.186182 2.560697 2.380807 ESP Fit Center 6517 is at 3.066656 2.211781 -2.934085 ESP Fit Center 6518 is at 2.676599 2.353750 -2.934085 ESP Fit Center 6519 is at 1.345931 0.767921 -2.934085 ESP Fit Center 6520 is at 3.384633 0.408443 -2.934085 ESP Fit Center 6521 is at 3.592178 0.767921 -2.934085 ESP Fit Center 6522 is at 3.278445 1.176705 -3.071203 ESP Fit Center 6523 is at 3.170007 1.581400 -3.071203 ESP Fit Center 6524 is at 2.873750 1.877657 -3.071203 ESP Fit Center 6525 is at 2.469054 1.986095 -3.071203 ESP Fit Center 6526 is at 1.659664 1.176705 -3.071203 ESP Fit Center 6527 is at 1.768102 0.772009 -3.071203 ESP Fit Center 6528 is at 2.064359 0.475752 -3.071203 ESP Fit Center 6529 is at 2.469054 0.367314 -3.071203 ESP Fit Center 6530 is at 2.873750 0.475752 -3.071203 ESP Fit Center 6531 is at 3.170007 0.772009 -3.071203 ESP Fit Center 6532 is at 2.877554 1.176705 -3.154509 ESP Fit Center 6533 is at 2.673304 1.530476 -3.154509 ESP Fit Center 6534 is at 2.264804 1.530476 -3.154509 ESP Fit Center 6535 is at 2.060554 1.176705 -3.154509 ESP Fit Center 6536 is at 2.264804 0.822933 -3.154509 ESP Fit Center 6537 is at 2.673304 0.822933 -3.154509 ESP Fit Center 6538 is at 2.469054 1.176705 -3.182451 ESP Fit Center 6539 is at 3.833578 1.915134 2.537075 ESP Fit Center 6540 is at 4.339662 1.966383 2.443952 ESP Fit Center 6541 is at 4.037576 2.268469 2.443952 ESP Fit Center 6542 is at 3.624919 2.379041 2.443952 ESP Fit Center 6543 is at 4.766528 1.969238 2.291061 ESP Fit Center 6544 is at 4.555567 2.334632 2.291061 ESP Fit Center 6545 is at 4.232356 2.605838 2.291061 ESP Fit Center 6546 is at 3.835880 2.750144 2.291061 ESP Fit Center 6547 is at 3.413958 2.750144 2.291061 ESP Fit Center 6548 is at 5.148470 1.961960 2.081817 ESP Fit Center 6549 is at 4.990898 2.342374 2.081817 ESP Fit Center 6550 is at 4.740236 2.669043 2.081817 ESP Fit Center 6551 is at 4.413567 2.919705 2.081817 ESP Fit Center 6552 is at 4.033153 3.077277 2.081817 ESP Fit Center 6553 is at 3.624919 3.131022 2.081817 ESP Fit Center 6554 is at 3.216685 3.077277 2.081817 ESP Fit Center 6555 is at 5.529403 1.553726 1.820894 ESP Fit Center 6556 is at 5.484877 1.963134 1.820894 ESP Fit Center 6557 is at 5.353382 2.353398 1.820894 ESP Fit Center 6558 is at 5.141065 2.706271 1.820894 ESP Fit Center 6559 is at 4.857856 3.005251 1.820894 ESP Fit Center 6560 is at 4.516995 3.236360 1.820894 ESP Fit Center 6561 is at 4.134422 3.388791 1.820894 ESP Fit Center 6562 is at 3.728026 3.455417 1.820894 ESP Fit Center 6563 is at 3.316808 3.433121 1.820894 ESP Fit Center 6564 is at 5.814047 1.553726 1.514120 ESP Fit Center 6565 is at 5.774487 1.968021 1.514120 ESP Fit Center 6566 is at 5.657235 2.367343 1.514120 ESP Fit Center 6567 is at 5.466531 2.737258 1.514120 ESP Fit Center 6568 is at 5.209266 3.064397 1.514120 ESP Fit Center 6569 is at 4.894738 3.336937 1.514120 ESP Fit Center 6570 is at 4.534316 3.545027 1.514120 ESP Fit Center 6571 is at 4.141026 3.681146 1.514120 ESP Fit Center 6572 is at 3.729082 3.740375 1.514120 ESP Fit Center 6573 is at 3.313374 3.720572 1.514120 ESP Fit Center 6574 is at 6.049790 1.553726 1.168348 ESP Fit Center 6575 is at 6.014911 1.963531 1.168348 ESP Fit Center 6576 is at 5.911275 2.361547 1.168348 ESP Fit Center 6577 is at 5.741866 2.736323 1.168348 ESP Fit Center 6578 is at 5.511556 3.077079 1.168348 ESP Fit Center 6579 is at 5.226970 3.374010 1.168348 ESP Fit Center 6580 is at 4.896297 3.618575 1.168348 ESP Fit Center 6581 is at 4.529048 3.803737 1.168348 ESP Fit Center 6582 is at 4.135789 3.924172 1.168348 ESP Fit Center 6583 is at 3.727834 3.976412 1.168348 ESP Fit Center 6584 is at 6.014911 1.143921 1.168348 ESP Fit Center 6585 is at 6.231366 1.553726 0.791303 ESP Fit Center 6586 is at 6.199276 1.961464 0.791303 ESP Fit Center 6587 is at 6.103797 2.359162 0.791303 ESP Fit Center 6588 is at 5.947280 2.737028 0.791303 ESP Fit Center 6589 is at 5.733579 3.085757 0.791303 ESP Fit Center 6590 is at 5.467955 3.396762 0.791303 ESP Fit Center 6591 is at 5.156950 3.662386 0.791303 ESP Fit Center 6592 is at 4.808221 3.876087 0.791303 ESP Fit Center 6593 is at 4.430355 4.032604 0.791303 ESP Fit Center 6594 is at 4.032657 4.128083 0.791303 ESP Fit Center 6595 is at 3.624919 4.160173 0.791303 ESP Fit Center 6596 is at 6.103797 0.748290 0.791303 ESP Fit Center 6597 is at 6.199276 1.145988 0.791303 ESP Fit Center 6598 is at 6.354717 1.553726 0.391407 ESP Fit Center 6599 is at 6.322725 1.970428 0.391407 ESP Fit Center 6600 is at 6.227499 2.377362 0.391407 ESP Fit Center 6601 is at 6.071270 2.764992 0.391407 ESP Fit Center 6602 is at 5.857701 3.124230 0.391407 ESP Fit Center 6603 is at 5.591798 3.446657 0.391407 ESP Fit Center 6604 is at 5.279792 3.724715 0.391407 ESP Fit Center 6605 is at 4.928998 3.951887 0.391407 ESP Fit Center 6606 is at 4.547637 4.122848 0.391407 ESP Fit Center 6607 is at 4.144648 4.233592 0.391407 ESP Fit Center 6608 is at 3.729478 4.281521 0.391407 ESP Fit Center 6609 is at 6.071270 0.342460 0.391407 ESP Fit Center 6610 is at 6.227499 0.730090 0.391407 ESP Fit Center 6611 is at 6.322725 1.137024 0.391407 ESP Fit Center 6612 is at 6.417090 1.553726 -0.022407 ESP Fit Center 6613 is at 6.385903 1.969878 -0.022407 ESP Fit Center 6614 is at 6.293041 2.376733 -0.022407 ESP Fit Center 6615 is at 6.140578 2.765204 -0.022407 ESP Fit Center 6616 is at 5.931919 3.126612 -0.022407 ESP Fit Center 6617 is at 5.671725 3.452884 -0.022407 ESP Fit Center 6618 is at 5.365809 3.736733 -0.022407 ESP Fit Center 6619 is at 5.021004 3.971817 -0.022407 ESP Fit Center 6620 is at 4.645014 4.152884 -0.022407 ESP Fit Center 6621 is at 4.246236 4.275891 -0.022407 ESP Fit Center 6622 is at 3.833578 4.338089 -0.022407 ESP Fit Center 6623 is at 6.140578 0.342249 -0.022407 ESP Fit Center 6624 is at 6.293041 0.730719 -0.022407 ESP Fit Center 6625 is at 6.385903 1.137575 -0.022407 ESP Fit Center 6626 is at 6.417090 1.553726 -0.440896 ESP Fit Center 6627 is at 6.385903 1.969878 -0.440896 ESP Fit Center 6628 is at 6.293041 2.376733 -0.440896 ESP Fit Center 6629 is at 6.140578 2.765204 -0.440896 ESP Fit Center 6630 is at 5.931919 3.126612 -0.440896 ESP Fit Center 6631 is at 5.671725 3.452884 -0.440896 ESP Fit Center 6632 is at 5.365809 3.736733 -0.440896 ESP Fit Center 6633 is at 5.021004 3.971817 -0.440896 ESP Fit Center 6634 is at 4.645014 4.152884 -0.440896 ESP Fit Center 6635 is at 4.246236 4.275891 -0.440896 ESP Fit Center 6636 is at 3.833578 4.338089 -0.440896 ESP Fit Center 6637 is at 6.140578 0.342249 -0.440896 ESP Fit Center 6638 is at 6.293041 0.730719 -0.440896 ESP Fit Center 6639 is at 6.385903 1.137575 -0.440896 ESP Fit Center 6640 is at 6.354717 1.553726 -0.854710 ESP Fit Center 6641 is at 6.322725 1.970428 -0.854710 ESP Fit Center 6642 is at 6.227499 2.377362 -0.854710 ESP Fit Center 6643 is at 6.071270 2.764992 -0.854710 ESP Fit Center 6644 is at 5.857701 3.124230 -0.854710 ESP Fit Center 6645 is at 5.591798 3.446657 -0.854710 ESP Fit Center 6646 is at 5.279792 3.724715 -0.854710 ESP Fit Center 6647 is at 4.928998 3.951887 -0.854710 ESP Fit Center 6648 is at 4.547637 4.122848 -0.854710 ESP Fit Center 6649 is at 4.144648 4.233592 -0.854710 ESP Fit Center 6650 is at 3.729478 4.281521 -0.854710 ESP Fit Center 6651 is at 6.227499 0.730090 -0.854710 ESP Fit Center 6652 is at 6.322725 1.137024 -0.854710 ESP Fit Center 6653 is at 6.231366 1.553726 -1.254606 ESP Fit Center 6654 is at 6.199276 1.961464 -1.254606 ESP Fit Center 6655 is at 6.103797 2.359162 -1.254606 ESP Fit Center 6656 is at 5.947280 2.737028 -1.254606 ESP Fit Center 6657 is at 5.733579 3.085757 -1.254606 ESP Fit Center 6658 is at 5.467955 3.396762 -1.254606 ESP Fit Center 6659 is at 5.156950 3.662386 -1.254606 ESP Fit Center 6660 is at 4.808221 3.876087 -1.254606 ESP Fit Center 6661 is at 4.430355 4.032604 -1.254606 ESP Fit Center 6662 is at 4.032657 4.128083 -1.254606 ESP Fit Center 6663 is at 3.624919 4.160173 -1.254606 ESP Fit Center 6664 is at 6.103797 0.748290 -1.254606 ESP Fit Center 6665 is at 6.199276 1.145988 -1.254606 ESP Fit Center 6666 is at 6.049790 1.553726 -1.631652 ESP Fit Center 6667 is at 6.014911 1.963531 -1.631652 ESP Fit Center 6668 is at 5.911275 2.361547 -1.631652 ESP Fit Center 6669 is at 5.741866 2.736323 -1.631652 ESP Fit Center 6670 is at 5.511556 3.077079 -1.631652 ESP Fit Center 6671 is at 5.226970 3.374010 -1.631652 ESP Fit Center 6672 is at 4.896297 3.618575 -1.631652 ESP Fit Center 6673 is at 4.529048 3.803737 -1.631652 ESP Fit Center 6674 is at 4.135789 3.924172 -1.631652 ESP Fit Center 6675 is at 3.727834 3.976412 -1.631652 ESP Fit Center 6676 is at 5.911275 0.745905 -1.631652 ESP Fit Center 6677 is at 6.014911 1.143921 -1.631652 ESP Fit Center 6678 is at 5.814047 1.553726 -1.977423 ESP Fit Center 6679 is at 5.774487 1.968021 -1.977423 ESP Fit Center 6680 is at 5.657235 2.367343 -1.977423 ESP Fit Center 6681 is at 5.466531 2.737258 -1.977423 ESP Fit Center 6682 is at 5.209266 3.064397 -1.977423 ESP Fit Center 6683 is at 4.894738 3.336937 -1.977423 ESP Fit Center 6684 is at 4.534316 3.545027 -1.977423 ESP Fit Center 6685 is at 4.141026 3.681146 -1.977423 ESP Fit Center 6686 is at 3.729082 3.740375 -1.977423 ESP Fit Center 6687 is at 3.313374 3.720572 -1.977423 ESP Fit Center 6688 is at 5.657235 0.740109 -1.977423 ESP Fit Center 6689 is at 5.774487 1.139431 -1.977423 ESP Fit Center 6690 is at 5.529403 1.553726 -2.284197 ESP Fit Center 6691 is at 5.484877 1.963134 -2.284197 ESP Fit Center 6692 is at 5.353382 2.353398 -2.284197 ESP Fit Center 6693 is at 5.141065 2.706271 -2.284197 ESP Fit Center 6694 is at 4.857856 3.005251 -2.284197 ESP Fit Center 6695 is at 4.516995 3.236360 -2.284197 ESP Fit Center 6696 is at 4.134422 3.388791 -2.284197 ESP Fit Center 6697 is at 3.728026 3.455417 -2.284197 ESP Fit Center 6698 is at 3.316808 3.433121 -2.284197 ESP Fit Center 6699 is at 5.353382 0.754054 -2.284197 ESP Fit Center 6700 is at 5.484877 1.144318 -2.284197 ESP Fit Center 6701 is at 5.202215 1.553726 -2.545120 ESP Fit Center 6702 is at 5.148470 1.961960 -2.545120 ESP Fit Center 6703 is at 4.990898 2.342374 -2.545120 ESP Fit Center 6704 is at 4.740236 2.669043 -2.545120 ESP Fit Center 6705 is at 4.413567 2.919705 -2.545120 ESP Fit Center 6706 is at 4.033153 3.077277 -2.545120 ESP Fit Center 6707 is at 3.624919 3.131022 -2.545120 ESP Fit Center 6708 is at 3.216685 3.077277 -2.545120 ESP Fit Center 6709 is at 4.990898 0.765078 -2.545120 ESP Fit Center 6710 is at 5.148470 1.145492 -2.545120 ESP Fit Center 6711 is at 4.839794 1.553726 -2.754364 ESP Fit Center 6712 is at 4.766528 1.969238 -2.754364 ESP Fit Center 6713 is at 4.555567 2.334632 -2.754364 ESP Fit Center 6714 is at 4.232356 2.605838 -2.754364 ESP Fit Center 6715 is at 3.835880 2.750144 -2.754364 ESP Fit Center 6716 is at 3.413958 2.750144 -2.754364 ESP Fit Center 6717 is at 4.232356 0.501614 -2.754364 ESP Fit Center 6718 is at 4.555567 0.772820 -2.754364 ESP Fit Center 6719 is at 4.766528 1.138215 -2.754364 ESP Fit Center 6720 is at 4.450234 1.553726 -2.907255 ESP Fit Center 6721 is at 4.339662 1.966383 -2.907255 ESP Fit Center 6722 is at 4.037576 2.268469 -2.907255 ESP Fit Center 6723 is at 3.624919 2.379041 -2.907255 ESP Fit Center 6724 is at 3.212262 2.268469 -2.907255 ESP Fit Center 6725 is at 4.037576 0.838983 -2.907255 ESP Fit Center 6726 is at 4.339662 1.141069 -2.907255 ESP Fit Center 6727 is at 4.042237 1.553726 -3.000378 ESP Fit Center 6728 is at 3.833578 1.915134 -3.000378 ESP Fit Center 6729 is at 3.416260 1.915134 -3.000378 ESP Fit Center 6730 is at 3.833578 1.192318 -3.000378 ESP Fit Center 6731 is at 3.624919 1.553726 -3.031652 ESP Fit Center 6732 is at 2.115540 0.666531 2.769377 ESP Fit Center 6733 is at 1.710845 0.558093 2.769377 ESP Fit Center 6734 is at 1.414588 0.261836 2.769377 ESP Fit Center 6735 is at 1.199961 0.625403 -2.871009 ESP Fit Center 6736 is at 2.924930 -0.142859 -3.008127 ESP Fit Center 6737 is at 1.414588 0.261836 -3.008127 ESP Fit Center 6738 is at 1.306150 -0.142859 -3.008127 ESP Fit Center 6739 is at 1.414588 -0.547555 -3.008127 ESP Fit Center 6740 is at 1.710845 -0.843812 -3.008127 ESP Fit Center 6741 is at 2.115540 -0.952250 -3.008127 ESP Fit Center 6742 is at 2.520235 -0.843812 -3.008127 ESP Fit Center 6743 is at 2.524040 -0.142859 -3.091433 ESP Fit Center 6744 is at 2.319790 0.210912 -3.091433 ESP Fit Center 6745 is at 1.911290 0.210912 -3.091433 ESP Fit Center 6746 is at 1.707040 -0.142859 -3.091433 ESP Fit Center 6747 is at 1.911290 -0.496631 -3.091433 ESP Fit Center 6748 is at 2.319790 -0.496631 -3.091433 ESP Fit Center 6749 is at 2.115540 -0.142859 -3.119375 ESP Fit Center 6750 is at 0.805235 -0.548973 2.936047 ESP Fit Center 6751 is at 1.009485 -0.195201 2.908105 ESP Fit Center 6752 is at 0.600985 -0.195201 2.908105 ESP Fit Center 6753 is at 0.396735 -0.548973 2.908105 ESP Fit Center 6754 is at 0.600985 -0.902744 2.908105 ESP Fit Center 6755 is at 1.506187 -0.144278 2.824799 ESP Fit Center 6756 is at 1.209930 0.151980 2.824799 ESP Fit Center 6757 is at 0.805235 0.260418 2.824799 ESP Fit Center 6758 is at 0.104282 -0.953668 2.824799 ESP Fit Center 6759 is at 0.400540 -1.249925 2.824799 ESP Fit Center 6760 is at 1.012780 0.628073 2.687681 ESP Fit Center 6761 is at -0.110344 -1.317235 2.687681 ESP Fit Center 6762 is at 0.207633 -1.584049 2.687681 ESP Fit Center 6763 is at 0.597690 -1.726018 2.687681 ESP Fit Center 6764 is at -0.093667 -1.822426 2.499305 ESP Fit Center 6765 is at 0.283240 -2.017724 2.499305 ESP Fit Center 6766 is at 0.104466 -2.307771 2.263181 ESP Fit Center 6767 is at 0.498939 -2.417296 2.263181 ESP Fit Center 6768 is at 0.498939 -2.417296 -2.391087 ESP Fit Center 6769 is at 0.283240 -2.017724 -2.627211 ESP Fit Center 6770 is at 0.698862 -2.104091 -2.627211 ESP Fit Center 6771 is at 1.012780 0.628073 -2.815587 ESP Fit Center 6772 is at 0.207633 -1.584049 -2.815587 ESP Fit Center 6773 is at 0.597690 -1.726018 -2.815587 ESP Fit Center 6774 is at 1.012780 -1.726018 -2.815587 ESP Fit Center 6775 is at 0.805235 0.260418 -2.952705 ESP Fit Center 6776 is at -0.004156 -0.548973 -2.952705 ESP Fit Center 6777 is at 0.104282 -0.953668 -2.952705 ESP Fit Center 6778 is at 0.400540 -1.249925 -2.952705 ESP Fit Center 6779 is at 0.805235 -1.358363 -2.952705 ESP Fit Center 6780 is at 1.209930 -1.249925 -2.952705 ESP Fit Center 6781 is at 1.506187 -0.953668 -2.952705 ESP Fit Center 6782 is at 1.213735 -0.548973 -3.036011 ESP Fit Center 6783 is at 1.009485 -0.195201 -3.036011 ESP Fit Center 6784 is at 0.600985 -0.195201 -3.036011 ESP Fit Center 6785 is at 0.396735 -0.548973 -3.036011 ESP Fit Center 6786 is at 0.600985 -0.902744 -3.036011 ESP Fit Center 6787 is at 1.009485 -0.902744 -3.036011 ESP Fit Center 6788 is at 0.805235 -0.548973 -3.063953 ESP Fit Center 6789 is at -0.193515 0.340197 2.924942 ESP Fit Center 6790 is at 0.214985 0.340197 2.896999 ESP Fit Center 6791 is at 0.010735 0.693968 2.896999 ESP Fit Center 6792 is at -0.397765 0.693968 2.896999 ESP Fit Center 6793 is at 0.010735 -0.013575 2.896999 ESP Fit Center 6794 is at 0.615875 0.340197 2.813693 ESP Fit Center 6795 is at 0.507438 0.744892 2.813693 ESP Fit Center 6796 is at 0.211180 1.041149 2.813693 ESP Fit Center 6797 is at -0.193515 1.149587 2.813693 ESP Fit Center 6798 is at 0.929609 0.748980 2.676576 ESP Fit Center 6799 is at 0.615875 0.340197 -2.963810 ESP Fit Center 6800 is at 0.507438 0.744892 -2.963810 ESP Fit Center 6801 is at -0.894467 0.744892 -2.963810 ESP Fit Center 6802 is at -1.002905 0.340197 -2.963810 ESP Fit Center 6803 is at -0.193515 -0.469194 -2.963810 ESP Fit Center 6804 is at 0.214985 0.340197 -3.047116 ESP Fit Center 6805 is at 0.010735 0.693968 -3.047116 ESP Fit Center 6806 is at -0.397765 0.693968 -3.047116 ESP Fit Center 6807 is at -0.602015 0.340197 -3.047116 ESP Fit Center 6808 is at -0.397765 -0.013575 -3.047116 ESP Fit Center 6809 is at 0.010735 -0.013575 -3.047116 ESP Fit Center 6810 is at -0.193515 0.340197 -3.075058 ESP Fit Center 6811 is at 6.123056 0.046414 0.082174 ESP Fit Center 6812 is at 6.392881 -0.791782 -0.321919 ESP Fit Center 6813 is at 6.354898 -0.369756 -0.321919 ESP Fit Center 6814 is at 6.242170 0.038705 -0.321919 ESP Fit Center 6815 is at 6.354898 -1.213809 -0.321919 ESP Fit Center 6816 is at 6.429342 -0.791782 -0.738674 ESP Fit Center 6817 is at 6.392881 -0.375027 -0.738674 ESP Fit Center 6818 is at 6.284605 0.029066 -0.738674 ESP Fit Center 6819 is at 6.107803 -1.991782 -0.738674 ESP Fit Center 6820 is at 6.284605 -1.612631 -0.738674 ESP Fit Center 6821 is at 6.392881 -1.208538 -0.738674 ESP Fit Center 6822 is at 6.392881 -0.791782 -1.155430 ESP Fit Center 6823 is at 6.354898 -0.369756 -1.155430 ESP Fit Center 6824 is at 6.242170 0.038705 -1.155430 ESP Fit Center 6825 is at 6.058319 0.420475 -1.155430 ESP Fit Center 6826 is at 5.809256 -2.346846 -1.155430 ESP Fit Center 6827 is at 6.058319 -2.004040 -1.155430 ESP Fit Center 6828 is at 6.242170 -1.622270 -1.155430 ESP Fit Center 6829 is at 6.354898 -1.213809 -1.155430 ESP Fit Center 6830 is at 6.284605 -0.791782 -1.559523 ESP Fit Center 6831 is at 6.243849 -0.364971 -1.559523 ESP Fit Center 6832 is at 6.123056 0.046414 -1.559523 ESP Fit Center 6833 is at 5.926590 0.427504 -1.559523 ESP Fit Center 6834 is at 5.661552 -2.348092 -1.559523 ESP Fit Center 6835 is at 5.926590 -2.011069 -1.559523 ESP Fit Center 6836 is at 6.123056 -1.629979 -1.559523 ESP Fit Center 6837 is at 6.243849 -1.218594 -1.559523 ESP Fit Center 6838 is at 6.107803 -0.791782 -1.938674 ESP Fit Center 6839 is at 6.065257 -0.373391 -1.938674 ESP Fit Center 6840 is at 5.939360 0.027871 -1.938674 ESP Fit Center 6841 is at 5.735267 0.395576 -1.938674 ESP Fit Center 6842 is at 5.461333 -2.298236 -1.938674 ESP Fit Center 6843 is at 5.735267 -1.979141 -1.938674 ESP Fit Center 6844 is at 5.939360 -1.611436 -1.938674 ESP Fit Center 6845 is at 6.065257 -1.210174 -1.938674 ESP Fit Center 6846 is at 5.867849 -0.791782 -2.281365 ESP Fit Center 6847 is at 5.818292 -0.367794 -2.281365 ESP Fit Center 6848 is at 5.672292 0.033338 -2.281365 ESP Fit Center 6849 is at 5.437720 0.389987 -2.281365 ESP Fit Center 6850 is at 5.127222 -2.266491 -2.281365 ESP Fit Center 6851 is at 5.437720 -1.973552 -2.281365 ESP Fit Center 6852 is at 5.672292 -1.616903 -2.281365 ESP Fit Center 6853 is at 5.818292 -1.215771 -2.281365 ESP Fit Center 6854 is at 5.572033 -0.791782 -2.577181 ESP Fit Center 6855 is at 5.514825 -0.375570 -2.577181 ESP Fit Center 6856 is at 5.347447 0.009775 -2.577181 ESP Fit Center 6857 is at 5.082310 0.335671 -2.577181 ESP Fit Center 6858 is at 4.739080 -2.161514 -2.577181 ESP Fit Center 6859 is at 5.082310 -1.919236 -2.577181 ESP Fit Center 6860 is at 5.347447 -1.593340 -2.577181 ESP Fit Center 6861 is at 5.514825 -1.207995 -2.577181 ESP Fit Center 6862 is at 5.229342 -0.791782 -2.817135 ESP Fit Center 6863 is at 5.156973 -0.381358 -2.817135 ESP Fit Center 6864 is at 4.948596 -0.020437 -2.817135 ESP Fit Center 6865 is at 4.629342 0.247448 -2.817135 ESP Fit Center 6866 is at 4.237720 0.389987 -2.817135 ESP Fit Center 6867 is at 3.820965 0.389987 -2.817135 ESP Fit Center 6868 is at 4.629342 -1.831013 -2.817135 ESP Fit Center 6869 is at 4.948596 -1.563128 -2.817135 ESP Fit Center 6870 is at 5.156973 -1.202207 -2.817135 ESP Fit Center 6871 is at 4.850191 -0.791782 -2.993937 ESP Fit Center 6872 is at 4.740218 -0.381358 -2.993937 ESP Fit Center 6873 is at 4.439767 -0.080907 -2.993937 ESP Fit Center 6874 is at 4.029342 0.029066 -2.993937 ESP Fit Center 6875 is at 3.618918 -0.080907 -2.993937 ESP Fit Center 6876 is at 4.029342 -1.612631 -2.993937 ESP Fit Center 6877 is at 4.439767 -1.502658 -2.993937 ESP Fit Center 6878 is at 4.740218 -1.202207 -2.993937 ESP Fit Center 6879 is at 4.446098 -0.791782 -3.102213 ESP Fit Center 6880 is at 4.237720 -0.430862 -3.102213 ESP Fit Center 6881 is at 3.820965 -0.430862 -3.102213 ESP Fit Center 6882 is at 3.612587 -0.791782 -3.102213 ESP Fit Center 6883 is at 3.820965 -1.152703 -3.102213 ESP Fit Center 6884 is at 4.237720 -1.152703 -3.102213 ESP Fit Center 6885 is at 4.029342 -0.791782 -3.138674 ESP Fit Center 6886 is at 4.165307 -0.517512 4.123823 ESP Fit Center 6887 is at 4.582063 -0.517512 4.087362 ESP Fit Center 6888 is at 4.373685 -0.156591 4.087362 ESP Fit Center 6889 is at 3.956930 -0.156591 4.087362 ESP Fit Center 6890 is at 4.986156 -0.517512 3.979085 ESP Fit Center 6891 is at 4.876183 -0.107087 3.979085 ESP Fit Center 6892 is at 4.575732 0.193364 3.979085 ESP Fit Center 6893 is at 4.165307 0.303337 3.979085 ESP Fit Center 6894 is at 3.754883 0.193364 3.979085 ESP Fit Center 6895 is at 3.454432 -0.107087 3.979085 ESP Fit Center 6896 is at 5.365307 -0.517512 3.802284 ESP Fit Center 6897 is at 5.292939 -0.107087 3.802284 ESP Fit Center 6898 is at 5.084561 0.253833 3.802284 ESP Fit Center 6899 is at 4.765307 0.521719 3.802284 ESP Fit Center 6900 is at 4.373685 0.664258 3.802284 ESP Fit Center 6901 is at 3.956930 0.664258 3.802284 ESP Fit Center 6902 is at 3.565307 0.521719 3.802284 ESP Fit Center 6903 is at 3.246054 0.253833 3.802284 ESP Fit Center 6904 is at 5.707998 -0.517512 3.562330 ESP Fit Center 6905 is at 5.650791 -0.101299 3.562330 ESP Fit Center 6906 is at 5.483412 0.284045 3.562330 ESP Fit Center 6907 is at 5.218275 0.609942 3.562330 ESP Fit Center 6908 is at 4.875045 0.852220 3.562330 ESP Fit Center 6909 is at 4.479177 0.992912 3.562330 ESP Fit Center 6910 is at 4.060030 1.021582 3.562330 ESP Fit Center 6911 is at 3.648692 0.936105 3.562330 ESP Fit Center 6912 is at 3.275668 0.742820 3.562330 ESP Fit Center 6913 is at 2.968625 0.456062 3.562330 ESP Fit Center 6914 is at 6.003814 -0.517512 3.266513 ESP Fit Center 6915 is at 5.954257 -0.093523 3.266513 ESP Fit Center 6916 is at 5.808257 0.307609 3.266513 ESP Fit Center 6917 is at 5.573685 0.664258 3.266513 ESP Fit Center 6918 is at 5.263187 0.957197 3.266513 ESP Fit Center 6919 is at 4.893503 1.170635 3.266513 ESP Fit Center 6920 is at 4.484561 1.293064 3.266513 ESP Fit Center 6921 is at 4.058408 1.317885 3.266513 ESP Fit Center 6922 is at 3.638018 1.243758 3.266513 ESP Fit Center 6923 is at 3.246054 1.074682 3.266513 ESP Fit Center 6924 is at 2.903648 0.819770 3.266513 ESP Fit Center 6925 is at 6.243768 -0.517512 2.923823 ESP Fit Center 6926 is at 6.201222 -0.099121 2.923823 ESP Fit Center 6927 is at 6.075325 0.302142 2.923823 ESP Fit Center 6928 is at 5.871232 0.669847 2.923823 ESP Fit Center 6929 is at 5.597298 0.988942 2.923823 ESP Fit Center 6930 is at 5.264738 1.246362 2.923823 ESP Fit Center 6931 is at 4.887168 1.431570 2.923823 ESP Fit Center 6932 is at 4.480044 1.536981 2.923823 ESP Fit Center 6933 is at 4.060035 1.558282 2.923823 ESP Fit Center 6934 is at 3.644336 1.494599 2.923823 ESP Fit Center 6935 is at 3.249965 1.348540 2.923823 ESP Fit Center 6936 is at 2.893069 1.126085 2.923823 ESP Fit Center 6937 is at 2.588258 0.836341 2.923823 ESP Fit Center 6938 is at 6.420570 -0.517512 2.544671 ESP Fit Center 6939 is at 6.379814 -0.090700 2.544671 ESP Fit Center 6940 is at 6.259021 0.320685 2.544671 ESP Fit Center 6941 is at 6.062555 0.701775 2.544671 ESP Fit Center 6942 is at 5.797517 1.038798 2.544671 ESP Fit Center 6943 is at 5.473488 1.319571 2.544671 ESP Fit Center 6944 is at 5.102177 1.533947 2.544671 ESP Fit Center 6945 is at 4.697006 1.674178 2.544671 ESP Fit Center 6946 is at 4.272617 1.735196 2.544671 ESP Fit Center 6947 is at 6.528846 -0.517512 2.140579 ESP Fit Center 6948 is at 6.490863 -0.095486 2.140579 ESP Fit Center 6949 is at 6.378135 0.312976 2.140579 ESP Fit Center 6950 is at 6.194284 0.694746 2.140579 ESP Fit Center 6951 is at 5.945221 1.037552 2.140579 ESP Fit Center 6952 is at 5.638950 1.330377 2.140579 ESP Fit Center 6953 is at 5.285314 1.563810 2.140579 ESP Fit Center 6954 is at 6.528846 -0.100756 1.723823 ESP Fit Center 6955 is at 6.420570 0.303337 1.723823 ESP Fit Center 6956 is at 6.243768 0.682488 1.723823 ESP Fit Center 6957 is at 6.003814 1.025179 1.723823 ESP Fit Center 6958 is at 5.707998 1.320995 1.723823 ESP Fit Center 6959 is at 6.490863 -0.095486 1.307067 ESP Fit Center 6960 is at 6.378135 0.312976 1.307067 ESP Fit Center 6961 is at 6.194284 0.694746 1.307067 ESP Fit Center 6962 is at 5.945221 1.037552 1.307067 ESP Fit Center 6963 is at 6.259021 0.320685 0.902975 ESP Fit Center 6964 is at 6.062555 0.701775 0.902975 ESP Fit Center 6965 is at 5.168797 -3.214340 3.295484 ESP Fit Center 6966 is at 5.488050 -2.946455 3.295484 ESP Fit Center 6967 is at 5.696428 -2.585534 3.295484 ESP Fit Center 6968 is at 6.111487 -2.175110 3.055530 ESP Fit Center 6969 is at 4.882667 -3.685533 3.055530 ESP Fit Center 6970 is at 5.278535 -3.544841 3.055530 ESP Fit Center 6971 is at 5.621765 -3.302563 3.055530 ESP Fit Center 6972 is at 5.886902 -2.976667 3.055530 ESP Fit Center 6973 is at 6.054280 -2.591322 3.055530 ESP Fit Center 6974 is at 6.407304 -2.175110 2.759713 ESP Fit Center 6975 is at 4.461897 -4.010506 2.759713 ESP Fit Center 6976 is at 4.888050 -3.985685 2.759713 ESP Fit Center 6977 is at 5.296992 -3.863256 2.759713 ESP Fit Center 6978 is at 5.666677 -3.649818 2.759713 ESP Fit Center 6979 is at 5.977175 -3.356879 2.759713 ESP Fit Center 6980 is at 6.211747 -3.000230 2.759713 ESP Fit Center 6981 is at 6.357747 -2.599098 2.759713 ESP Fit Center 6982 is at 6.647258 -2.175110 2.417023 ESP Fit Center 6983 is at 6.604712 -1.756718 2.417023 ESP Fit Center 6984 is at 4.463525 -4.250903 2.417023 ESP Fit Center 6985 is at 4.883534 -4.229602 2.417023 ESP Fit Center 6986 is at 5.290657 -4.124191 2.417023 ESP Fit Center 6987 is at 5.668228 -3.938984 2.417023 ESP Fit Center 6988 is at 6.000788 -3.681563 2.417023 ESP Fit Center 6989 is at 6.274722 -3.362468 2.417023 ESP Fit Center 6990 is at 6.478815 -2.994763 2.417023 ESP Fit Center 6991 is at 6.604712 -2.593501 2.417023 ESP Fit Center 6992 is at 6.824059 -2.175110 2.037871 ESP Fit Center 6993 is at 6.783304 -1.748298 2.037871 ESP Fit Center 6994 is at 4.247840 -4.407417 2.037871 ESP Fit Center 6995 is at 4.676107 -4.427817 2.037871 ESP Fit Center 6996 is at 5.100495 -4.366800 2.037871 ESP Fit Center 6997 is at 5.505667 -4.226568 2.037871 ESP Fit Center 6998 is at 5.876977 -4.012192 2.037871 ESP Fit Center 6999 is at 6.201007 -3.731419 2.037871 ESP Fit Center 7000 is at 6.466044 -3.394396 2.037871 ESP Fit Center 7001 is at 6.662510 -3.013306 2.037871 ESP Fit Center 7002 is at 6.783304 -2.601921 2.037871 ESP Fit Center 7003 is at 6.932336 -2.175110 1.633779 ESP Fit Center 7004 is at 6.894353 -1.753083 1.633779 ESP Fit Center 7005 is at 6.781624 -1.344622 1.633779 ESP Fit Center 7006 is at 4.042860 -4.479389 1.633779 ESP Fit Center 7007 is at 4.462757 -4.536268 1.633779 ESP Fit Center 7008 is at 4.886063 -4.517258 1.633779 ESP Fit Center 7009 is at 5.299171 -4.422968 1.633779 ESP Fit Center 7010 is at 5.688804 -4.256431 1.633779 ESP Fit Center 7011 is at 6.042439 -4.022998 1.633779 ESP Fit Center 7012 is at 6.348711 -3.730173 1.633779 ESP Fit Center 7013 is at 6.597774 -3.387367 1.633779 ESP Fit Center 7014 is at 6.781624 -3.005598 1.633779 ESP Fit Center 7015 is at 6.894353 -2.597136 1.633779 ESP Fit Center 7016 is at 6.968797 -2.175110 1.217023 ESP Fit Center 7017 is at 6.932336 -1.758354 1.217023 ESP Fit Center 7018 is at 6.824059 -1.354261 1.217023 ESP Fit Center 7019 is at 4.152041 -4.538648 1.217023 ESP Fit Center 7020 is at 4.568797 -4.575110 1.217023 ESP Fit Center 7021 is at 4.985553 -4.538648 1.217023 ESP Fit Center 7022 is at 5.389645 -4.430372 1.217023 ESP Fit Center 7023 is at 5.768797 -4.253571 1.217023 ESP Fit Center 7024 is at 6.111487 -4.013616 1.217023 ESP Fit Center 7025 is at 6.407304 -3.717800 1.217023 ESP Fit Center 7026 is at 6.647258 -3.375110 1.217023 ESP Fit Center 7027 is at 6.824059 -2.995958 1.217023 ESP Fit Center 7028 is at 6.932336 -2.591865 1.217023 ESP Fit Center 7029 is at 6.932336 -2.175110 0.800267 ESP Fit Center 7030 is at 6.894353 -1.753083 0.800267 ESP Fit Center 7031 is at 6.781624 -1.344622 0.800267 ESP Fit Center 7032 is at 4.886063 -4.517258 0.800267 ESP Fit Center 7033 is at 5.299171 -4.422968 0.800267 ESP Fit Center 7034 is at 5.688804 -4.256431 0.800267 ESP Fit Center 7035 is at 6.042439 -4.022998 0.800267 ESP Fit Center 7036 is at 6.348711 -3.730173 0.800267 ESP Fit Center 7037 is at 6.597774 -3.387367 0.800267 ESP Fit Center 7038 is at 6.781624 -3.005598 0.800267 ESP Fit Center 7039 is at 6.894353 -2.597136 0.800267 ESP Fit Center 7040 is at 6.824059 -2.175110 0.396175 ESP Fit Center 7041 is at 6.783304 -1.748298 0.396175 ESP Fit Center 7042 is at 6.662510 -1.336913 0.396175 ESP Fit Center 7043 is at 5.505667 -4.226568 0.396175 ESP Fit Center 7044 is at 5.876977 -4.012192 0.396175 ESP Fit Center 7045 is at 6.201007 -3.731419 0.396175 ESP Fit Center 7046 is at 6.466044 -3.394396 0.396175 ESP Fit Center 7047 is at 6.662510 -3.013306 0.396175 ESP Fit Center 7048 is at 6.783304 -2.601921 0.396175 ESP Fit Center 7049 is at 6.647258 -2.175110 0.017023 ESP Fit Center 7050 is at 6.604712 -1.756718 0.017023 ESP Fit Center 7051 is at 5.668228 -3.938984 0.017023 ESP Fit Center 7052 is at 6.000788 -3.681563 0.017023 ESP Fit Center 7053 is at 6.274722 -3.362468 0.017023 ESP Fit Center 7054 is at 6.478815 -2.994763 0.017023 ESP Fit Center 7055 is at 6.604712 -2.593501 0.017023 ESP Fit Center 7056 is at 6.407304 -2.175110 -0.325667 ESP Fit Center 7057 is at 6.357747 -1.751121 -0.325667 ESP Fit Center 7058 is at 5.977175 -3.356879 -0.325667 ESP Fit Center 7059 is at 6.211747 -3.000230 -0.325667 ESP Fit Center 7060 is at 6.357747 -2.599098 -0.325667 ESP Fit Center 7061 is at 6.111487 -2.175110 -0.621484 ESP Fit Center 7062 is at 6.054280 -2.591322 -0.621484 ESP Fit Center 7063 is at 2.261851 4.149635 1.830550 ESP Fit Center 7064 is at 1.870229 4.292174 1.830550 ESP Fit Center 7065 is at 1.453473 4.292174 1.830550 ESP Fit Center 7066 is at 2.979955 3.911962 1.590596 ESP Fit Center 7067 is at 2.714819 4.237858 1.590596 ESP Fit Center 7068 is at 2.371589 4.480137 1.590596 ESP Fit Center 7069 is at 1.975720 4.620828 1.590596 ESP Fit Center 7070 is at 1.556574 4.649499 1.590596 ESP Fit Center 7071 is at 1.145235 4.564022 1.590596 ESP Fit Center 7072 is at 3.304800 3.935525 1.294780 ESP Fit Center 7073 is at 3.070229 4.292174 1.294780 ESP Fit Center 7074 is at 2.759731 4.585114 1.294780 ESP Fit Center 7075 is at 2.390046 4.798551 1.294780 ESP Fit Center 7076 is at 1.981104 4.920980 1.294780 ESP Fit Center 7077 is at 1.554951 4.945801 1.294780 ESP Fit Center 7078 is at 1.134561 4.871675 1.294780 ESP Fit Center 7079 is at 0.742597 4.702598 1.294780 ESP Fit Center 7080 is at 3.367776 4.297763 0.952089 ESP Fit Center 7081 is at 3.093842 4.616858 0.952089 ESP Fit Center 7082 is at 2.761282 4.874279 0.952089 ESP Fit Center 7083 is at 2.383711 5.059486 0.952089 ESP Fit Center 7084 is at 1.976588 5.164898 0.952089 ESP Fit Center 7085 is at 1.556578 5.186198 0.952089 ESP Fit Center 7086 is at 1.140879 5.122515 0.952089 ESP Fit Center 7087 is at 0.746509 4.976456 0.952089 ESP Fit Center 7088 is at 3.559098 4.329692 0.572938 ESP Fit Center 7089 is at 3.294061 4.666714 0.572938 ESP Fit Center 7090 is at 2.970031 4.947487 0.572938 ESP Fit Center 7091 is at 2.598721 5.161864 0.572938 ESP Fit Center 7092 is at 2.193549 5.302095 0.572938 ESP Fit Center 7093 is at 1.769161 5.363113 0.572938 ESP Fit Center 7094 is at 1.340894 5.342712 0.572938 ESP Fit Center 7095 is at 0.924227 5.241630 0.572938 ESP Fit Center 7096 is at 0.534220 5.063519 0.572938 ESP Fit Center 7097 is at 3.441764 4.665468 0.168845 ESP Fit Center 7098 is at 3.135493 4.958294 0.168845 ESP Fit Center 7099 is at 2.781858 5.191726 0.168845 ESP Fit Center 7100 is at 2.392224 5.358264 0.168845 ESP Fit Center 7101 is at 1.979116 5.452553 0.168845 ESP Fit Center 7102 is at 1.555811 5.471563 0.168845 ESP Fit Center 7103 is at 1.135914 5.414685 0.168845 ESP Fit Center 7104 is at 0.732921 5.283744 0.168845 ESP Fit Center 7105 is at 3.500357 4.653095 -0.247911 ESP Fit Center 7106 is at 3.204541 4.948911 -0.247911 ESP Fit Center 7107 is at 2.861851 5.188866 -0.247911 ESP Fit Center 7108 is at 2.482699 5.365667 -0.247911 ESP Fit Center 7109 is at 2.078606 5.473943 -0.247911 ESP Fit Center 7110 is at 1.661851 5.510405 -0.247911 ESP Fit Center 7111 is at 1.245095 5.473943 -0.247911 ESP Fit Center 7112 is at 0.841002 5.365667 -0.247911 ESP Fit Center 7113 is at 0.461851 5.188866 -0.247911 ESP Fit Center 7114 is at 3.690828 4.322662 -0.664666 ESP Fit Center 7115 is at 3.441764 4.665468 -0.664666 ESP Fit Center 7116 is at 3.135493 4.958294 -0.664666 ESP Fit Center 7117 is at 2.781858 5.191726 -0.664666 ESP Fit Center 7118 is at 2.392224 5.358264 -0.664666 ESP Fit Center 7119 is at 1.979116 5.452553 -0.664666 ESP Fit Center 7120 is at 1.555811 5.471563 -0.664666 ESP Fit Center 7121 is at 1.135914 5.414685 -0.664666 ESP Fit Center 7122 is at 0.732921 5.283744 -0.664666 ESP Fit Center 7123 is at 3.559098 4.329692 -1.068759 ESP Fit Center 7124 is at 3.294061 4.666714 -1.068759 ESP Fit Center 7125 is at 2.970031 4.947487 -1.068759 ESP Fit Center 7126 is at 2.598721 5.161864 -1.068759 ESP Fit Center 7127 is at 2.193549 5.302095 -1.068759 ESP Fit Center 7128 is at 1.769161 5.363113 -1.068759 ESP Fit Center 7129 is at 1.340894 5.342712 -1.068759 ESP Fit Center 7130 is at 0.924227 5.241630 -1.068759 ESP Fit Center 7131 is at 0.534220 5.063519 -1.068759 ESP Fit Center 7132 is at 3.367776 4.297763 -1.447911 ESP Fit Center 7133 is at 3.093842 4.616858 -1.447911 ESP Fit Center 7134 is at 2.761282 4.874279 -1.447911 ESP Fit Center 7135 is at 2.383711 5.059486 -1.447911 ESP Fit Center 7136 is at 1.976588 5.164898 -1.447911 ESP Fit Center 7137 is at 1.556578 5.186198 -1.447911 ESP Fit Center 7138 is at 1.140879 5.122515 -1.447911 ESP Fit Center 7139 is at 0.746509 4.976456 -1.447911 ESP Fit Center 7140 is at 3.304800 3.935525 -1.790601 ESP Fit Center 7141 is at 3.070229 4.292174 -1.790601 ESP Fit Center 7142 is at 2.759731 4.585114 -1.790601 ESP Fit Center 7143 is at 2.390046 4.798551 -1.790601 ESP Fit Center 7144 is at 1.981104 4.920980 -1.790601 ESP Fit Center 7145 is at 1.554951 4.945801 -1.790601 ESP Fit Center 7146 is at 1.134561 4.871675 -1.790601 ESP Fit Center 7147 is at 0.742597 4.702598 -1.790601 ESP Fit Center 7148 is at 2.979955 3.911962 -2.086417 ESP Fit Center 7149 is at 2.714819 4.237858 -2.086417 ESP Fit Center 7150 is at 2.371589 4.480137 -2.086417 ESP Fit Center 7151 is at 1.975720 4.620828 -2.086417 ESP Fit Center 7152 is at 1.556574 4.649499 -2.086417 ESP Fit Center 7153 is at 1.145235 4.564022 -2.086417 ESP Fit Center 7154 is at 0.772212 4.370736 -2.086417 ESP Fit Center 7155 is at 2.581104 3.881750 -2.326372 ESP Fit Center 7156 is at 2.261851 4.149635 -2.326372 ESP Fit Center 7157 is at 1.870229 4.292174 -2.326372 ESP Fit Center 7158 is at 1.453473 4.292174 -2.326372 ESP Fit Center 7159 is at -0.024411 -2.652160 2.068657 ESP Fit Center 7160 is at 0.367211 -2.794699 2.068657 ESP Fit Center 7161 is at 0.783967 -2.794699 2.068657 ESP Fit Center 7162 is at 0.058974 -3.066547 1.828703 ESP Fit Center 7163 is at 0.470312 -3.152024 1.828703 ESP Fit Center 7164 is at 0.889459 -3.123353 1.828703 ESP Fit Center 7165 is at 0.468690 -3.448326 1.532886 ESP Fit Center 7166 is at 0.894842 -3.423505 1.532886 ESP Fit Center 7167 is at 0.470317 -3.688723 1.190196 ESP Fit Center 7168 is at 0.890326 -3.667423 1.190196 ESP Fit Center 7169 is at 0.254632 -3.845237 0.811044 ESP Fit Center 7170 is at 0.682899 -3.865638 0.811044 ESP Fit Center 7171 is at 0.049652 -3.917210 0.406951 ESP Fit Center 7172 is at 0.469549 -3.974089 0.406951 ESP Fit Center 7173 is at 0.158834 -3.976468 -0.009804 ESP Fit Center 7174 is at 0.049652 -3.917210 -0.426560 ESP Fit Center 7175 is at -0.162035 -3.744155 -0.830652 ESP Fit Center 7176 is at 0.254632 -3.845237 -0.830652 ESP Fit Center 7177 is at 0.054618 -3.625040 -1.209804 ESP Fit Center 7178 is at 0.048300 -3.374200 -1.552494 ESP Fit Center 7179 is at 0.367211 -2.794699 -2.088265 ESP Fit Center 7180 is at -1.787270 1.499260 -2.582135 ESP Fit Center 7181 is at -3.110602 0.565150 -2.582135 ESP Fit Center 7182 is at -1.473352 1.121187 -2.770511 ESP Fit Center 7183 is at -1.888442 1.121187 -2.770511 ESP Fit Center 7184 is at -2.278499 0.979218 -2.770511 ESP Fit Center 7185 is at -2.596476 0.712404 -2.770511 ESP Fit Center 7186 is at -2.804021 0.352926 -2.770511 ESP Fit Center 7187 is at -1.276202 0.645095 -2.907629 ESP Fit Center 7188 is at -1.680897 0.753532 -2.907629 ESP Fit Center 7189 is at -2.085592 0.645095 -2.907629 ESP Fit Center 7190 is at -2.381850 0.348837 -2.907629 ESP Fit Center 7191 is at -1.476647 0.297913 -2.990935 ESP Fit Center 7192 is at -1.885147 0.297913 -2.990935 ESP Fit Center 7193 is at 2.974369 -1.824387 4.323625 ESP Fit Center 7194 is at 3.391125 -1.824387 4.287163 ESP Fit Center 7195 is at 3.182747 -1.463466 4.287163 ESP Fit Center 7196 is at 2.765991 -1.463466 4.287163 ESP Fit Center 7197 is at 2.557613 -1.824387 4.287163 ESP Fit Center 7198 is at 2.765991 -2.185308 4.287163 ESP Fit Center 7199 is at 3.182747 -2.185308 4.287163 ESP Fit Center 7200 is at 2.974369 -1.003539 4.178887 ESP Fit Center 7201 is at 2.563945 -1.113511 4.178887 ESP Fit Center 7202 is at 2.263493 -1.413963 4.178887 ESP Fit Center 7203 is at 2.153521 -1.824387 4.178887 ESP Fit Center 7204 is at 2.263493 -2.234811 4.178887 ESP Fit Center 7205 is at 2.563945 -2.535262 4.178887 ESP Fit Center 7206 is at 2.974369 -2.645235 4.178887 ESP Fit Center 7207 is at 3.384793 -2.535262 4.178887 ESP Fit Center 7208 is at 2.374369 -0.785156 4.002086 ESP Fit Center 7209 is at 2.055116 -1.053042 4.002086 ESP Fit Center 7210 is at 1.846738 -1.413963 4.002086 ESP Fit Center 7211 is at 1.774369 -1.824387 4.002086 ESP Fit Center 7212 is at 1.846738 -2.234811 4.002086 ESP Fit Center 7213 is at 2.055116 -2.595732 4.002086 ESP Fit Center 7214 is at 2.374369 -2.863617 4.002086 ESP Fit Center 7215 is at 2.765991 -3.006156 4.002086 ESP Fit Center 7216 is at 3.182747 -3.006156 4.002086 ESP Fit Center 7217 is at 3.574369 -2.863617 4.002086 ESP Fit Center 7218 is at 2.084730 -0.564055 3.762131 ESP Fit Center 7219 is at 1.777687 -0.850814 3.762131 ESP Fit Center 7220 is at 1.559396 -1.209777 3.762131 ESP Fit Center 7221 is at 1.446047 -1.614324 3.762131 ESP Fit Center 7222 is at 1.446047 -2.034450 3.762131 ESP Fit Center 7223 is at 1.559396 -2.438996 3.762131 ESP Fit Center 7224 is at 1.777687 -2.797960 3.762131 ESP Fit Center 7225 is at 2.084730 -3.084718 3.762131 ESP Fit Center 7226 is at 2.457753 -3.278004 3.762131 ESP Fit Center 7227 is at 2.869092 -3.363481 3.762131 ESP Fit Center 7228 is at 3.288239 -3.334810 3.762131 ESP Fit Center 7229 is at 3.684107 -3.194119 3.762131 ESP Fit Center 7230 is at 2.055116 -0.232193 3.466315 ESP Fit Center 7231 is at 1.712709 -0.487106 3.466315 ESP Fit Center 7232 is at 1.438319 -0.814111 3.466315 ESP Fit Center 7233 is at 1.246738 -1.195581 3.466315 ESP Fit Center 7234 is at 1.148294 -1.610949 3.466315 ESP Fit Center 7235 is at 1.148294 -2.037825 3.466315 ESP Fit Center 7236 is at 1.246738 -2.453193 3.466315 ESP Fit Center 7237 is at 1.438319 -2.834663 3.466315 ESP Fit Center 7238 is at 1.712709 -3.161668 3.466315 ESP Fit Center 7239 is at 2.055116 -3.416580 3.466315 ESP Fit Center 7240 is at 2.447079 -3.585657 3.466315 ESP Fit Center 7241 is at 2.867469 -3.659783 3.466315 ESP Fit Center 7242 is at 3.293622 -3.634963 3.466315 ESP Fit Center 7243 is at 3.702564 -3.512533 3.466315 ESP Fit Center 7244 is at 1.702131 -0.180790 3.123625 ESP Fit Center 7245 is at 1.397320 -0.470535 3.123625 ESP Fit Center 7246 is at 1.157074 -0.815706 3.123625 ESP Fit Center 7247 is at 0.991228 -1.202172 3.123625 ESP Fit Center 7248 is at 0.906572 -1.614113 3.123625 ESP Fit Center 7249 is at 0.906572 -2.034661 3.123625 ESP Fit Center 7250 is at 0.991228 -2.446601 3.123625 ESP Fit Center 7251 is at 1.157074 -2.833068 3.123625 ESP Fit Center 7252 is at 1.397320 -3.178239 3.123625 ESP Fit Center 7253 is at 1.702131 -3.467983 3.123625 ESP Fit Center 7254 is at 2.059027 -3.690439 3.123625 ESP Fit Center 7255 is at 2.453397 -3.836497 3.123625 ESP Fit Center 7256 is at 2.869097 -3.900180 3.123625 ESP Fit Center 7257 is at 3.289106 -3.878880 3.123625 ESP Fit Center 7258 is at 0.729319 -1.610011 2.744473 ESP Fit Center 7259 is at 0.729319 -2.038763 2.744473 ESP Fit Center 7260 is at 0.810461 -2.459768 2.744473 ESP Fit Center 7261 is at 0.969812 -2.857808 2.744473 ESP Fit Center 7262 is at 1.201613 -3.218498 2.744473 ESP Fit Center 7263 is at 1.497486 -3.528800 2.744473 ESP Fit Center 7264 is at 1.846738 -3.777501 2.744473 ESP Fit Center 7265 is at 2.236745 -3.955612 2.744473 ESP Fit Center 7266 is at 2.653412 -4.056694 2.744473 ESP Fit Center 7267 is at 3.081679 -4.077095 2.744473 ESP Fit Center 7268 is at 0.696006 -2.453175 2.340380 ESP Fit Center 7269 is at 0.844894 -2.849888 2.340380 ESP Fit Center 7270 is at 1.062226 -3.213640 2.340380 ESP Fit Center 7271 is at 1.341016 -3.532740 2.340380 ESP Fit Center 7272 is at 1.672303 -3.796933 2.340380 ESP Fit Center 7273 is at 2.045439 -3.997726 2.340380 ESP Fit Center 7274 is at 2.448432 -4.128667 2.340380 ESP Fit Center 7275 is at 2.868329 -4.185546 2.340380 ESP Fit Center 7276 is at 0.895908 -3.024387 1.923625 ESP Fit Center 7277 is at 1.135862 -3.367077 1.923625 ESP Fit Center 7278 is at 1.431679 -3.662894 1.923625 ESP Fit Center 7279 is at 1.774369 -3.902848 1.923625 ESP Fit Center 7280 is at 2.153521 -4.079649 1.923625 ESP Fit Center 7281 is at 2.557613 -4.187926 1.923625 ESP Fit Center 7282 is at 2.980167 -4.521347 1.160519 ESP Fit Center 7283 is at 3.391506 -4.606824 1.160519 ESP Fit Center 7284 is at 3.810652 -4.578154 1.160519 ESP Fit Center 7285 is at 2.969493 -4.829000 0.864702 ESP Fit Center 7286 is at 3.389883 -4.903126 0.864702 ESP Fit Center 7287 is at 3.816036 -4.878306 0.864702 ESP Fit Center 7288 is at 4.224978 -4.755877 0.864702 ESP Fit Center 7289 is at 2.581441 -4.933782 0.522012 ESP Fit Center 7290 is at 2.975811 -5.079841 0.522012 ESP Fit Center 7291 is at 3.391510 -5.143524 0.522012 ESP Fit Center 7292 is at 3.811519 -5.122223 0.522012 ESP Fit Center 7293 is at 4.218643 -5.016811 0.522012 ESP Fit Center 7294 is at 4.596214 -4.831604 0.522012 ESP Fit Center 7295 is at 4.928773 -4.574184 0.522012 ESP Fit Center 7296 is at 2.759159 -5.198955 0.142860 ESP Fit Center 7297 is at 3.175825 -5.300037 0.142860 ESP Fit Center 7298 is at 3.604092 -5.320438 0.142860 ESP Fit Center 7299 is at 4.028481 -5.259420 0.142860 ESP Fit Center 7300 is at 4.433652 -5.119189 0.142860 ESP Fit Center 7301 is at 4.804963 -4.904813 0.142860 ESP Fit Center 7302 is at 5.128993 -4.624039 0.142860 ESP Fit Center 7303 is at 5.394030 -4.287017 0.142860 ESP Fit Center 7304 is at 2.567853 -5.241070 -0.261232 ESP Fit Center 7305 is at 2.970846 -5.372010 -0.261232 ESP Fit Center 7306 is at 3.390743 -5.428889 -0.261232 ESP Fit Center 7307 is at 3.814048 -5.409878 -0.261232 ESP Fit Center 7308 is at 4.227156 -5.315589 -0.261232 ESP Fit Center 7309 is at 4.616789 -5.149052 -0.261232 ESP Fit Center 7310 is at 4.970425 -4.915619 -0.261232 ESP Fit Center 7311 is at 5.276696 -4.622794 -0.261232 ESP Fit Center 7312 is at 5.525759 -4.279988 -0.261232 ESP Fit Center 7313 is at 5.709610 -3.898218 -0.261232 ESP Fit Center 7314 is at 5.896783 -3.067730 -0.677988 ESP Fit Center 7315 is at 2.296783 -5.146191 -0.677988 ESP Fit Center 7316 is at 2.675934 -5.322993 -0.677988 ESP Fit Center 7317 is at 3.080027 -5.431269 -0.677988 ESP Fit Center 7318 is at 3.496783 -5.467730 -0.677988 ESP Fit Center 7319 is at 3.913538 -5.431269 -0.677988 ESP Fit Center 7320 is at 4.317631 -5.322993 -0.677988 ESP Fit Center 7321 is at 4.696783 -5.146191 -0.677988 ESP Fit Center 7322 is at 5.039473 -4.906237 -0.677988 ESP Fit Center 7323 is at 5.335289 -4.610421 -0.677988 ESP Fit Center 7324 is at 5.575244 -4.267730 -0.677988 ESP Fit Center 7325 is at 5.752045 -3.888579 -0.677988 ESP Fit Center 7326 is at 5.860321 -3.484486 -0.677988 ESP Fit Center 7327 is at 5.860321 -3.067730 -1.094744 ESP Fit Center 7328 is at 5.822338 -2.645704 -1.094744 ESP Fit Center 7329 is at 2.567853 -5.241070 -1.094744 ESP Fit Center 7330 is at 2.970846 -5.372010 -1.094744 ESP Fit Center 7331 is at 3.390743 -5.428889 -1.094744 ESP Fit Center 7332 is at 3.814048 -5.409878 -1.094744 ESP Fit Center 7333 is at 4.227156 -5.315589 -1.094744 ESP Fit Center 7334 is at 4.616789 -5.149052 -1.094744 ESP Fit Center 7335 is at 4.970425 -4.915619 -1.094744 ESP Fit Center 7336 is at 5.276696 -4.622794 -1.094744 ESP Fit Center 7337 is at 5.525759 -4.279988 -1.094744 ESP Fit Center 7338 is at 5.709610 -3.898218 -1.094744 ESP Fit Center 7339 is at 5.822338 -3.489756 -1.094744 ESP Fit Center 7340 is at 5.752045 -3.067730 -1.498836 ESP Fit Center 7341 is at 5.711289 -2.640919 -1.498836 ESP Fit Center 7342 is at 2.369151 -5.020845 -1.498836 ESP Fit Center 7343 is at 2.759159 -5.198955 -1.498836 ESP Fit Center 7344 is at 3.175825 -5.300037 -1.498836 ESP Fit Center 7345 is at 3.604092 -5.320438 -1.498836 ESP Fit Center 7346 is at 4.028481 -5.259420 -1.498836 ESP Fit Center 7347 is at 4.433652 -5.119189 -1.498836 ESP Fit Center 7348 is at 4.804963 -4.904813 -1.498836 ESP Fit Center 7349 is at 5.128993 -4.624039 -1.498836 ESP Fit Center 7350 is at 5.394030 -4.287017 -1.498836 ESP Fit Center 7351 is at 5.590496 -3.905927 -1.498836 ESP Fit Center 7352 is at 5.711289 -3.494541 -1.498836 ESP Fit Center 7353 is at 5.575244 -3.067730 -1.877988 ESP Fit Center 7354 is at 5.532697 -2.649339 -1.877988 ESP Fit Center 7355 is at 2.581441 -4.933782 -1.877988 ESP Fit Center 7356 is at 2.975811 -5.079841 -1.877988 ESP Fit Center 7357 is at 3.391510 -5.143524 -1.877988 ESP Fit Center 7358 is at 3.811519 -5.122223 -1.877988 ESP Fit Center 7359 is at 4.218643 -5.016811 -1.877988 ESP Fit Center 7360 is at 4.596214 -4.831604 -1.877988 ESP Fit Center 7361 is at 4.928773 -4.574184 -1.877988 ESP Fit Center 7362 is at 5.202707 -4.255089 -1.877988 ESP Fit Center 7363 is at 5.406801 -3.887384 -1.877988 ESP Fit Center 7364 is at 5.532697 -3.486121 -1.877988 ESP Fit Center 7365 is at 5.335289 -3.067730 -2.220678 ESP Fit Center 7366 is at 5.285732 -2.643741 -2.220678 ESP Fit Center 7367 is at 2.969493 -4.829000 -2.220678 ESP Fit Center 7368 is at 3.389883 -4.903126 -2.220678 ESP Fit Center 7369 is at 3.816036 -4.878306 -2.220678 ESP Fit Center 7370 is at 4.224978 -4.755877 -2.220678 ESP Fit Center 7371 is at 4.594663 -4.542439 -2.220678 ESP Fit Center 7372 is at 4.905160 -4.249500 -2.220678 ESP Fit Center 7373 is at 5.139732 -3.892851 -2.220678 ESP Fit Center 7374 is at 5.285732 -3.491719 -2.220678 ESP Fit Center 7375 is at 5.039473 -3.067730 -2.516495 ESP Fit Center 7376 is at 4.982266 -2.651517 -2.516495 ESP Fit Center 7377 is at 4.814887 -2.266173 -2.516495 ESP Fit Center 7378 is at 2.980167 -4.521347 -2.516495 ESP Fit Center 7379 is at 3.391506 -4.606824 -2.516495 ESP Fit Center 7380 is at 3.810652 -4.578154 -2.516495 ESP Fit Center 7381 is at 4.206520 -4.437462 -2.516495 ESP Fit Center 7382 is at 4.549751 -4.195184 -2.516495 ESP Fit Center 7383 is at 4.814887 -3.869287 -2.516495 ESP Fit Center 7384 is at 4.982266 -3.483943 -2.516495 ESP Fit Center 7385 is at 4.696783 -3.067730 -2.756449 ESP Fit Center 7386 is at 4.624414 -2.657306 -2.756449 ESP Fit Center 7387 is at 3.288405 -4.249500 -2.756449 ESP Fit Center 7388 is at 3.705160 -4.249500 -2.756449 ESP Fit Center 7389 is at 4.096783 -4.106961 -2.756449 ESP Fit Center 7390 is at 4.416036 -3.839075 -2.756449 ESP Fit Center 7391 is at 4.624414 -3.478154 -2.756449 ESP Fit Center 7392 is at 4.317631 -3.067730 -2.933250 ESP Fit Center 7393 is at 3.496783 -3.888579 -2.933250 ESP Fit Center 7394 is at 3.907207 -3.778606 -2.933250 ESP Fit Center 7395 is at 4.207658 -3.478154 -2.933250 ESP Fit Center 7396 is at 3.705160 -3.428651 -3.041526 ESP Fit Center 7397 is at -2.515470 -2.187497 2.499268 ESP Fit Center 7398 is at -2.006320 -4.477728 -0.184757 ESP Fit Center 7399 is at -2.006320 -4.477728 -0.594211 ESP Fit Center 7400 is at -1.591045 -4.434081 -0.594211 ESP Fit Center 7401 is at -2.008266 -4.422008 -0.999852 ESP Fit Center 7402 is at -1.600726 -4.379174 -0.999852 ESP Fit Center 7403 is at -1.203114 -4.280038 -0.999852 ESP Fit Center 7404 is at -0.823168 -4.126530 -0.999852 ESP Fit Center 7405 is at -0.468284 -3.921637 -0.999852 ESP Fit Center 7406 is at -1.801606 -4.296370 -1.394123 ESP Fit Center 7407 is at -1.395787 -4.221411 -1.394123 ESP Fit Center 7408 is at -1.005207 -4.088163 -1.394123 ESP Fit Center 7409 is at -0.638190 -3.899467 -1.394123 ESP Fit Center 7410 is at -0.302558 -3.659343 -1.394123 ESP Fit Center 7411 is at -2.110775 -4.150200 -1.769679 ESP Fit Center 7412 is at -1.694087 -4.117406 -1.769679 ESP Fit Center 7413 is at -1.287660 -4.019832 -1.769679 ESP Fit Center 7414 is at -3.173250 0.080489 -2.716618 ESP Fit Center 7415 is at -2.632769 -0.017794 -2.952742 ESP Fit Center 7416 is at -3.009676 -0.213091 -2.952742 ESP Fit Center 7417 is at -3.189657 -1.882599 2.638756 ESP Fit Center 7418 is at -2.788767 -1.882599 2.555450 ESP Fit Center 7419 is at -5.974444 -3.609073 0.277066 ESP Fit Center 7420 is at -6.019550 -3.641844 -0.128575 ESP Fit Center 7421 is at -5.751146 -3.961716 -0.128575 ESP Fit Center 7422 is at -6.019550 -3.641844 -0.538029 ESP Fit Center 7423 is at -5.751146 -3.961716 -0.538029 ESP Fit Center 7424 is at -5.440836 -4.241120 -0.538029 ESP Fit Center 7425 is at -5.094660 -4.474619 -0.538029 ESP Fit Center 7426 is at -2.673267 -4.729117 -0.538029 ESP Fit Center 7427 is at -2.286110 -4.572696 -0.538029 ESP Fit Center 7428 is at -6.191597 -3.261556 -0.943670 ESP Fit Center 7429 is at -5.974444 -3.609073 -0.943670 ESP Fit Center 7430 is at -5.711040 -3.922986 -0.943670 ESP Fit Center 7431 is at -5.406510 -4.197186 -0.943670 ESP Fit Center 7432 is at -5.066783 -4.426334 -0.943670 ESP Fit Center 7433 is at -4.698471 -4.605972 -0.943670 ESP Fit Center 7434 is at -4.308743 -4.732603 -0.943670 ESP Fit Center 7435 is at -3.905184 -4.803761 -0.943670 ESP Fit Center 7436 is at -3.495649 -4.818062 -0.943670 ESP Fit Center 7437 is at -3.088109 -4.775228 -0.943670 ESP Fit Center 7438 is at -2.690496 -4.676092 -0.943670 ESP Fit Center 7439 is at -2.310551 -4.522584 -0.943670 ESP Fit Center 7440 is at -6.063251 -3.266077 -1.337941 ESP Fit Center 7441 is at -5.835546 -3.610255 -1.337941 ESP Fit Center 7442 is at -4.890682 -4.396576 -1.337941 ESP Fit Center 7443 is at -4.510870 -4.557979 -1.337941 ESP Fit Center 7444 is at -4.111605 -4.662360 -1.337941 ESP Fit Center 7445 is at -3.701397 -4.707496 -1.337941 ESP Fit Center 7446 is at -3.288989 -4.692424 -1.337941 ESP Fit Center 7447 is at -2.883169 -4.617466 -1.337941 ESP Fit Center 7448 is at -2.492589 -4.484218 -1.337941 ESP Fit Center 7449 is at -3.181470 -4.513461 -1.713497 ESP Fit Center 7450 is at -2.775042 -4.415886 -1.713497 ESP Fit Center 7451 is at -2.388883 -4.255934 -1.713497 ESP Fit Center 7452 is at -2.313127 -3.969620 -2.063343 ESP Fit Center 7453 is at -3.495658 0.007888 -2.660436 ESP Fit Center 7454 is at -3.704530 -0.327481 -2.896560 ESP Fit Center 7455 is at -3.532515 -1.255502 2.844458 ESP Fit Center 7456 is at -3.323811 -1.656621 2.656082 ESP Fit Center 7457 is at -3.154690 -1.267264 2.656082 ESP Fit Center 7458 is at -7.188926 -0.023603 1.473019 ESP Fit Center 7459 is at -7.295900 0.163096 1.097462 ESP Fit Center 7460 is at -7.414794 -0.232090 1.097462 ESP Fit Center 7461 is at -7.249079 0.532238 0.703192 ESP Fit Center 7462 is at -7.415753 0.157881 0.703192 ESP Fit Center 7463 is at -7.528705 -0.236029 0.703192 ESP Fit Center 7464 is at -7.585736 -0.641826 0.703192 ESP Fit Center 7465 is at -7.585736 -1.051611 0.703192 ESP Fit Center 7466 is at -7.298307 0.558413 0.297551 ESP Fit Center 7467 is at -7.468145 0.176950 0.297551 ESP Fit Center 7468 is at -7.583241 -0.224437 0.297551 ESP Fit Center 7469 is at -7.641355 -0.637937 0.297551 ESP Fit Center 7470 is at -7.641355 -1.055500 0.297551 ESP Fit Center 7471 is at -7.583241 -1.468999 0.297551 ESP Fit Center 7472 is at -7.468145 -1.870387 0.297551 ESP Fit Center 7473 is at -7.298307 -2.251850 0.297551 ESP Fit Center 7474 is at -7.077032 -2.605963 0.297551 ESP Fit Center 7475 is at -6.808628 -2.925835 0.297551 ESP Fit Center 7476 is at -6.498318 -3.205239 0.297551 ESP Fit Center 7477 is at -6.152142 -3.438738 0.297551 ESP Fit Center 7478 is at -7.298307 0.558413 -0.111904 ESP Fit Center 7479 is at -7.583241 -1.468999 -0.111904 ESP Fit Center 7480 is at -7.468145 -1.870387 -0.111904 ESP Fit Center 7481 is at -7.298307 -2.251850 -0.111904 ESP Fit Center 7482 is at -7.077032 -2.605963 -0.111904 ESP Fit Center 7483 is at -6.808628 -2.925835 -0.111904 ESP Fit Center 7484 is at -6.498318 -3.205239 -0.111904 ESP Fit Center 7485 is at -7.249079 -2.225675 -0.517544 ESP Fit Center 7486 is at -7.031926 -2.573192 -0.517544 ESP Fit Center 7487 is at -6.768522 -2.887105 -0.517544 ESP Fit Center 7488 is at -6.463992 -3.161305 -0.517544 ESP Fit Center 7489 is at -6.617636 -2.881729 -0.911815 ESP Fit Center 7490 is at -6.300428 -3.145712 -0.911815 ESP Fit Center 7491 is at -6.221297 -3.001661 -1.287371 ESP Fit Center 7492 is at -3.591708 0.292474 -2.470435 ESP Fit Center 7493 is at -4.058037 0.188358 -2.658810 ESP Fit Center 7494 is at -4.250944 -0.145766 -2.795928 ESP Fit Center 7495 is at -3.507528 -0.799158 3.026851 ESP Fit Center 7496 is at -3.160725 -0.554357 3.026851 ESP Fit Center 7497 is at -3.337835 -1.087886 2.790727 ESP Fit Center 7498 is at -4.120636 3.033536 2.193634 ESP Fit Center 7499 is at -4.224656 3.248491 1.843788 ESP Fit Center 7500 is at -4.641343 3.215697 1.843788 ESP Fit Center 7501 is at -5.047771 3.118122 1.843788 ESP Fit Center 7502 is at -4.327895 3.409732 1.468232 ESP Fit Center 7503 is at -4.738104 3.364596 1.468232 ESP Fit Center 7504 is at -5.137368 3.260215 1.468232 ESP Fit Center 7505 is at -5.517180 3.098812 1.468232 ESP Fit Center 7506 is at -5.869444 2.883828 1.468232 ESP Fit Center 7507 is at -6.186653 2.619846 1.468232 ESP Fit Center 7508 is at -6.462044 2.312490 1.468232 ESP Fit Center 7509 is at -6.689750 1.968313 1.468232 ESP Fit Center 7510 is at -6.864916 1.594649 1.468232 ESP Fit Center 7511 is at -6.983810 1.199463 1.468232 ESP Fit Center 7512 is at -7.043897 0.791177 1.468232 ESP Fit Center 7513 is at -7.043897 0.378493 1.468232 ESP Fit Center 7514 is at -4.531682 3.505997 1.073961 ESP Fit Center 7515 is at -4.935241 3.434838 1.073961 ESP Fit Center 7516 is at -5.324970 3.308208 1.073961 ESP Fit Center 7517 is at -5.693282 3.128570 1.073961 ESP Fit Center 7518 is at -6.033009 2.899421 1.073961 ESP Fit Center 7519 is at -6.337538 2.625222 1.073961 ESP Fit Center 7520 is at -6.600943 2.311309 1.073961 ESP Fit Center 7521 is at -6.818095 1.963791 1.073961 ESP Fit Center 7522 is at -6.984770 1.589434 1.073961 ESP Fit Center 7523 is at -7.097722 1.195524 1.073961 ESP Fit Center 7524 is at -7.154753 0.789727 1.073961 ESP Fit Center 7525 is at -4.537510 3.561445 0.668320 ESP Fit Center 7526 is at -4.948729 3.488936 0.668320 ESP Fit Center 7527 is at -6.867323 1.989966 0.668320 ESP Fit Center 7528 is at -7.037162 1.608503 0.668320 ESP Fit Center 7529 is at -7.152258 1.207116 0.668320 ESP Fit Center 7530 is at -7.210371 0.793617 0.668320 ESP Fit Center 7531 is at -7.152258 1.207116 0.258866 ESP Fit Center 7532 is at -7.210371 0.793617 0.258866 ESP Fit Center 7533 is at -3.819960 1.285788 -2.425159 ESP Fit Center 7534 is at -3.816156 0.584835 -2.508465 ESP Fit Center 7535 is at -4.020406 0.938606 -2.508465 ESP Fit Center 7536 is at -4.224656 0.584835 -2.536407 ESP Fit Center 7537 is at -3.840705 3.168121 2.138115 ESP Fit Center 7538 is at -3.153984 3.610502 1.788269 ESP Fit Center 7539 is at -3.560411 3.512928 1.788269 ESP Fit Center 7540 is at -3.946571 3.352975 1.788269 ESP Fit Center 7541 is at -2.840536 3.804538 1.412713 ESP Fit Center 7542 is at -3.250744 3.759402 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ESP Fit Center 7705 is at -0.263255 -2.960734 2.123291 ESP Fit Center 7706 is at -0.095876 -2.575390 2.123291 ESP Fit Center 7707 is at -2.108649 -3.920447 1.827475 ESP Fit Center 7708 is at -1.688259 -3.994573 1.827475 ESP Fit Center 7709 is at -1.262106 -3.969753 1.827475 ESP Fit Center 7710 is at -0.853164 -3.847324 1.827475 ESP Fit Center 7711 is at -0.483479 -3.633886 1.827475 ESP Fit Center 7712 is at -0.172981 -3.340947 1.827475 ESP Fit Center 7713 is at -2.102331 -4.171288 1.484784 ESP Fit Center 7714 is at -1.686631 -4.234971 1.484784 ESP Fit Center 7715 is at -1.266622 -4.213670 1.484784 ESP Fit Center 7716 is at -0.859499 -4.108258 1.484784 ESP Fit Center 7717 is at -0.481928 -3.923051 1.484784 ESP Fit Center 7718 is at -0.149368 -3.665631 1.484784 ESP Fit Center 7719 is at -1.902316 -4.391484 1.105633 ESP Fit Center 7720 is at -1.474049 -4.411885 1.105633 ESP Fit Center 7721 is at -1.049661 -4.350867 1.105633 ESP Fit Center 7722 is at -0.644489 -4.210636 1.105633 ESP Fit 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Center 8119 is at -7.564370 -1.258393 0.964865 ESP Fit Center 8120 is at -7.527909 -1.675148 0.964865 ESP Fit Center 8121 is at -7.419632 -2.079241 0.964865 ESP Fit Center 8122 is at -7.242831 -2.458393 0.964865 ESP Fit Center 8123 is at -7.002877 -2.801083 0.964865 ESP Fit Center 8124 is at -6.707060 -3.096900 0.964865 ESP Fit Center 8125 is at -6.364370 -3.336854 0.964865 ESP Fit Center 8126 is at -5.985219 -3.513655 0.964865 ESP Fit Center 8127 is at -7.442734 -1.887181 0.548109 ESP Fit Center 8128 is at -7.293845 -2.283894 0.548109 ESP Fit Center 8129 is at -7.076513 -2.647646 0.548109 ESP Fit Center 8130 is at -6.797723 -2.966746 0.548109 ESP Fit Center 8131 is at -6.466436 -3.230939 0.548109 ESP Fit Center 8132 is at -5.076017 3.489859 0.610298 ESP Fit Center 8133 is at -5.492684 3.388777 0.610298 ESP Fit Center 8134 is at -5.882691 3.210666 0.610298 ESP Fit Center 8135 is at -6.231943 2.961965 0.610298 ESP Fit Center 8136 is at -6.527816 2.651663 0.610298 ESP Fit Center 8137 is at -6.759617 2.290973 0.610298 ESP Fit Center 8138 is at -4.437794 3.599700 0.206205 ESP Fit Center 8139 is at -4.861100 3.618711 0.206205 ESP Fit Center 8140 is at -5.280997 3.561832 0.206205 ESP Fit Center 8141 is at -5.683990 3.430891 0.206205 ESP Fit Center 8142 is at -6.057126 3.230098 0.206205 ESP Fit Center 8143 is at -6.388413 2.965905 0.206205 ESP Fit Center 8144 is at -6.667203 2.646805 0.206205 ESP Fit Center 8145 is at -6.884535 2.283053 0.206205 ESP Fit Center 8146 is at -7.033423 1.886340 0.206205 ESP Fit Center 8147 is at -7.109084 1.469418 0.206205 ESP Fit Center 8148 is at -4.338304 3.621091 -0.210551 ESP Fit Center 8149 is at -4.755060 3.657552 -0.210551 ESP Fit Center 8150 is at -5.171816 3.621091 -0.210551 ESP Fit Center 8151 is at -5.575908 3.512814 -0.210551 ESP Fit Center 8152 is at -5.955060 3.336013 -0.210551 ESP Fit Center 8153 is at -6.297750 3.096059 -0.210551 ESP Fit Center 8154 is at -6.593567 2.800242 -0.210551 ESP Fit Center 8155 is at -6.833521 2.457552 -0.210551 ESP Fit Center 8156 is at -7.010322 2.078400 -0.210551 ESP Fit Center 8157 is at -7.118599 1.674308 -0.210551 ESP Fit Center 8158 is at -7.155060 1.257552 -0.210551 ESP Fit Center 8159 is at -4.437794 3.599700 -0.627306 ESP Fit Center 8160 is at -4.861100 3.618711 -0.627306 ESP Fit Center 8161 is at -5.280997 3.561832 -0.627306 ESP Fit Center 8162 is at -5.683990 3.430891 -0.627306 ESP Fit Center 8163 is at -6.057126 3.230098 -0.627306 ESP Fit Center 8164 is at -6.388413 2.965905 -0.627306 ESP Fit Center 8165 is at -6.667203 2.646805 -0.627306 ESP Fit Center 8166 is at -6.884535 2.283053 -0.627306 ESP Fit Center 8167 is at -7.033423 1.886340 -0.627306 ESP Fit Center 8168 is at -7.109084 1.469418 -0.627306 ESP Fit Center 8169 is at -7.109084 1.045686 -0.627306 ESP Fit Center 8170 is at -4.647750 3.510260 -1.031399 ESP Fit Center 8171 is at -5.076017 3.489859 -1.031399 ESP Fit Center 8172 is at -5.492684 3.388777 -1.031399 ESP Fit Center 8173 is at -5.882691 3.210666 -1.031399 ESP Fit Center 8174 is at -6.231943 2.961965 -1.031399 ESP Fit Center 8175 is at -6.527816 2.651663 -1.031399 ESP Fit Center 8176 is at -6.759617 2.290973 -1.031399 ESP Fit Center 8177 is at -6.918968 1.892933 -1.031399 ESP Fit Center 8178 is at -7.000110 1.471928 -1.031399 ESP Fit Center 8179 is at -7.000110 1.043176 -1.031399 ESP Fit Center 8180 is at -4.440323 3.312045 -1.410551 ESP Fit Center 8181 is at -4.860332 3.333345 -1.410551 ESP Fit Center 8182 is at -5.276032 3.269662 -1.410551 ESP Fit Center 8183 is at -5.670402 3.123604 -1.410551 ESP Fit Center 8184 is at -6.027298 2.901148 -1.410551 ESP Fit Center 8185 is at -6.332109 2.611404 -1.410551 ESP Fit Center 8186 is at -6.572355 2.266233 -1.410551 ESP Fit Center 8187 is at -6.738201 1.879766 -1.410551 ESP Fit Center 8188 is at -6.822857 1.467826 -1.410551 ESP Fit Center 8189 is at -6.822857 1.047278 -1.410551 ESP Fit Center 8190 is at -4.435807 3.068128 -1.753241 ESP Fit Center 8191 is at -4.861960 3.092948 -1.753241 ESP Fit Center 8192 is at -5.282350 3.018822 -1.753241 ESP Fit Center 8193 is at -5.674313 2.849745 -1.753241 ESP Fit Center 8194 is at -6.016720 2.594833 -1.753241 ESP Fit Center 8195 is at -6.291110 2.267828 -1.753241 ESP Fit Center 8196 is at -6.482691 1.886358 -1.753241 ESP Fit Center 8197 is at -6.581135 1.470990 -1.753241 ESP Fit Center 8198 is at -6.581135 1.044114 -1.753241 ESP Fit Center 8199 is at -4.441190 2.767975 -2.049057 ESP Fit Center 8200 is at -4.860337 2.796646 -2.049057 ESP Fit Center 8201 is at -5.271676 2.711169 -2.049057 ESP Fit Center 8202 is at -5.644699 2.517883 -2.049057 ESP Fit Center 8203 is at -5.951742 2.231125 -2.049057 ESP Fit Center 8204 is at -6.170033 1.872161 -2.049057 ESP Fit Center 8205 is at -6.283382 1.467615 -2.049057 ESP Fit Center 8206 is at -6.283382 1.047489 -2.049057 ESP Fit Center 8207 is at -4.155060 2.296782 -2.289012 ESP Fit Center 8208 is at -4.546682 2.439321 -2.289012 ESP Fit Center 8209 is at -4.963438 2.439321 -2.289012 ESP Fit Center 8210 is at -5.355060 2.296782 -2.289012 ESP Fit Center 8211 is at -5.674313 2.028897 -2.289012 ESP Fit Center 8212 is at -5.882691 1.667976 -2.289012 ESP Fit Center 8213 is at -5.955060 1.257552 -2.289012 ESP Fit Center 8214 is at -3.934212 1.257552 -2.465813 ESP Fit Center 8215 is at -4.044184 1.667976 -2.465813 ESP Fit Center 8216 is at -4.344636 1.968427 -2.465813 ESP Fit Center 8217 is at -4.755060 2.078400 -2.465813 ESP Fit Center 8218 is at -5.165484 1.968427 -2.465813 ESP Fit Center 8219 is at -5.465936 1.667976 -2.465813 ESP Fit Center 8220 is at -5.575908 1.257552 -2.465813 ESP Fit Center 8221 is at -4.338304 1.257552 -2.574089 ESP Fit Center 8222 is at -4.546682 1.618473 -2.574089 ESP Fit Center 8223 is at -4.963438 1.618473 -2.574089 ESP Fit Center 8224 is at -5.171816 1.257552 -2.574089 ESP Fit Center 8225 is at -4.963438 0.896631 -2.574089 ESP Fit Center 8226 is at -4.546682 0.896631 -2.574089 ESP Fit Center 8227 is at -4.755060 1.257552 -2.610551 ESP Fit Center 8228 is at -4.558145 0.757953 3.887058 ESP Fit Center 8229 is at -4.141389 0.757953 3.850597 ESP Fit Center 8230 is at -4.349767 1.118874 3.850597 ESP Fit Center 8231 is at -4.766523 1.118874 3.850597 ESP Fit Center 8232 is at -4.974901 0.757953 3.850597 ESP Fit Center 8233 is at -4.766523 0.397032 3.850597 ESP Fit Center 8234 is at -4.349767 0.397032 3.850597 ESP Fit Center 8235 is at -3.737297 0.757953 3.742320 ESP Fit Center 8236 is at -3.847269 1.168377 3.742320 ESP Fit Center 8237 is at -4.147721 1.468828 3.742320 ESP Fit Center 8238 is at -4.558145 1.578801 3.742320 ESP Fit Center 8239 is at -4.968569 1.468828 3.742320 ESP Fit Center 8240 is at -5.269020 1.168377 3.742320 ESP Fit Center 8241 is at -5.378993 0.757953 3.742320 ESP Fit Center 8242 is at -5.269020 0.347528 3.742320 ESP Fit Center 8243 is at -4.968569 0.047077 3.742320 ESP Fit Center 8244 is at -4.558145 -0.062896 3.742320 ESP Fit Center 8245 is at -4.147721 0.047077 3.742320 ESP Fit Center 8246 is at -3.847269 0.347528 3.742320 ESP Fit Center 8247 is at -3.358145 0.757953 3.565519 ESP Fit Center 8248 is at -3.638892 1.529298 3.565519 ESP Fit Center 8249 is at -3.958145 1.797183 3.565519 ESP Fit Center 8250 is at -4.349767 1.939722 3.565519 ESP Fit Center 8251 is at -4.766523 1.939722 3.565519 ESP Fit Center 8252 is at -5.158145 1.797183 3.565519 ESP Fit Center 8253 is at -5.477398 1.529298 3.565519 ESP Fit Center 8254 is at -5.685776 1.168377 3.565519 ESP Fit Center 8255 is at -5.758145 0.757953 3.565519 ESP Fit Center 8256 is at -5.685776 0.347528 3.565519 ESP Fit Center 8257 is at -5.477398 -0.013393 3.565519 ESP Fit Center 8258 is at -5.158145 -0.281278 3.565519 ESP Fit Center 8259 is at -4.766523 -0.423817 3.565519 ESP Fit Center 8260 is at -4.349767 -0.423817 3.565519 ESP Fit Center 8261 is at -3.958145 -0.281278 3.565519 ESP Fit Center 8262 is at -3.638892 -0.013393 3.565519 ESP Fit Center 8263 is at -3.430514 0.347528 3.565519 ESP Fit Center 8264 is at -3.848407 2.127684 3.325565 ESP Fit Center 8265 is at -4.244275 2.268376 3.325565 ESP Fit Center 8266 is at -4.663422 2.297046 3.325565 ESP Fit Center 8267 is at -5.074760 2.211569 3.325565 ESP Fit Center 8268 is at -5.447784 2.018284 3.325565 ESP Fit Center 8269 is at -5.754827 1.731526 3.325565 ESP Fit Center 8270 is at -5.973118 1.372562 3.325565 ESP Fit Center 8271 is at -6.086466 0.968016 3.325565 ESP Fit Center 8272 is at -6.086466 0.547890 3.325565 ESP Fit Center 8273 is at -5.973118 0.143343 3.325565 ESP Fit Center 8274 is at -5.754827 -0.215621 3.325565 ESP Fit Center 8275 is at -5.447784 -0.502379 3.325565 ESP Fit Center 8276 is at -5.074760 -0.695664 3.325565 ESP Fit Center 8277 is at -4.663422 -0.781141 3.325565 ESP Fit Center 8278 is at -4.244275 -0.752471 3.325565 ESP Fit Center 8279 is at -3.848407 -0.611779 3.325565 ESP Fit Center 8280 is at -3.505177 -0.369501 3.325565 ESP Fit Center 8281 is at -3.240040 -0.043605 3.325565 ESP Fit Center 8282 is at -3.829950 2.446099 3.029748 ESP Fit Center 8283 is at -4.238892 2.568528 3.029748 ESP Fit Center 8284 is at -4.665045 2.593349 3.029748 ESP Fit Center 8285 is at -5.085435 2.519223 3.029748 ESP Fit Center 8286 is at -5.477398 2.350146 3.029748 ESP Fit Center 8287 is at -5.819805 2.095234 3.029748 ESP Fit Center 8288 is at -6.094195 1.768229 3.029748 ESP Fit Center 8289 is at -6.285776 1.386759 3.029748 ESP Fit Center 8290 is at -6.384220 0.971390 3.029748 ESP Fit Center 8291 is at -6.384220 0.544515 3.029748 ESP Fit Center 8292 is at -6.285776 0.129146 3.029748 ESP Fit Center 8293 is at -6.094195 -0.252323 3.029748 ESP Fit Center 8294 is at -3.829950 -0.930194 3.029748 ESP Fit Center 8295 is at -4.243408 2.812445 2.687058 ESP Fit Center 8296 is at -4.663417 2.833746 2.687058 ESP Fit Center 8297 is at -5.079116 2.770063 2.687058 ESP Fit Center 8298 is at -5.473487 2.624004 2.687058 ESP Fit Center 8299 is at -5.830383 2.401549 2.687058 ESP Fit Center 8300 is at -6.135194 2.111805 2.687058 ESP Fit Center 8301 is at -6.375440 1.766634 2.687058 ESP Fit Center 8302 is at -6.541286 1.380167 2.687058 ESP Fit Center 8303 is at -6.625942 0.968227 2.687058 ESP Fit Center 8304 is at -6.625942 0.547678 2.687058 ESP Fit Center 8305 is at -6.541286 0.135738 2.687058 ESP Fit Center 8306 is at -4.026447 2.949643 2.307906 ESP Fit Center 8307 is at -4.450835 3.010660 2.307906 ESP Fit Center 8308 is at -4.879102 2.990260 2.307906 ESP Fit Center 8309 is at -5.295769 2.889177 2.307906 ESP Fit Center 8310 is at -5.685776 2.711067 2.307906 ESP Fit Center 8311 is at -6.035028 2.462366 2.307906 ESP Fit Center 8312 is at -6.330901 2.152063 2.307906 ESP Fit Center 8313 is at -6.562702 1.791374 2.307906 ESP Fit Center 8314 is at -6.722053 1.393333 2.307906 ESP Fit Center 8315 is at -6.803195 0.972329 2.307906 ESP Fit Center 8316 is at -6.803195 0.543576 2.307906 ESP Fit Center 8317 is at -6.722053 0.122572 2.307906 ESP Fit Center 8318 is at -5.487075 2.931292 1.903814 ESP Fit Center 8319 is at -5.860211 2.730499 1.903814 ESP Fit Center 8320 is at -6.191498 2.466306 1.903814 ESP Fit Center 8321 is at -6.470288 2.147206 1.903814 ESP Fit Center 8322 is at -6.687620 1.783454 1.903814 ESP Fit Center 8323 is at -6.836508 1.386741 1.903814 ESP Fit Center 8324 is at -6.912169 0.969819 1.903814 ESP Fit Center 8325 is at -6.912169 0.546087 1.903814 ESP Fit Center 8326 is at -3.397583 3.945890 0.531623 ESP Fit Center 8327 is at -3.185896 4.118946 0.127531 ESP Fit Center 8328 is at -3.588889 3.988005 0.127531 ESP Fit Center 8329 is at -3.962025 3.787212 0.127531 ESP Fit Center 8330 is at -3.480807 4.069928 -0.289225 ESP Fit Center 8331 is at -3.859959 3.893127 -0.289225 ESP Fit Center 8332 is at -4.202649 3.653172 -0.289225 ESP Fit Center 8333 is at -3.185896 4.118946 -0.705981 ESP Fit Center 8334 is at -3.588889 3.988005 -0.705981 ESP Fit Center 8335 is at -3.962025 3.787212 -0.705981 ESP Fit Center 8336 is at -3.397583 3.945890 -1.110073 ESP Fit Center 8337 is at -3.787590 3.767780 -1.110073 ESP Fit Center 8338 is at -4.136842 3.519079 -1.110073 ESP Fit Center 8339 is at -3.180930 3.826776 -1.489225 ESP Fit Center 8340 is at -3.575301 3.680717 -1.489225 ESP Fit Center 8341 is at -3.932197 3.458262 -1.489225 ESP Fit Center 8342 is at -3.187249 3.575936 -1.831915 ESP Fit Center 8343 is at -3.579212 3.406859 -1.831915 ESP Fit Center 8344 is at -3.921619 3.151947 -1.831915 ESP Fit Center 8345 is at -2.765236 3.353760 -2.127732 ESP Fit Center 8346 is at -3.176574 3.268283 -2.127732 ESP Fit Center 8347 is at -3.549598 3.074997 -2.127732 ESP Fit Center 8348 is at -3.856641 2.788239 -2.127732 ESP Fit Center 8349 is at -2.868337 2.996435 -2.367686 ESP Fit Center 8350 is at -3.259959 2.853896 -2.367686 ESP Fit Center 8351 is at -3.579212 2.586011 -2.367686 ESP Fit Center 8352 is at -3.787590 2.225090 -2.367686 ESP Fit Center 8353 is at -3.859959 1.814666 -2.367686 ESP Fit Center 8354 is at -2.659959 2.635514 -2.544487 ESP Fit Center 8355 is at -3.070383 2.525541 -2.544487 ESP Fit Center 8356 is at -3.370834 2.225090 -2.544487 ESP Fit Center 8357 is at -3.480807 1.814666 -2.544487 ESP Fit Center 8358 is at -3.370834 1.404242 -2.544487 ESP Fit Center 8359 is at -2.243203 1.814666 -2.652764 ESP Fit Center 8360 is at -2.451581 2.175587 -2.652764 ESP Fit Center 8361 is at -2.868337 2.175587 -2.652764 ESP Fit Center 8362 is at -3.076715 1.814666 -2.652764 ESP Fit Center 8363 is at -2.868337 1.453745 -2.652764 ESP Fit Center 8364 is at -2.451581 1.453745 -2.652764 ESP Fit Center 8365 is at -2.659959 1.814666 -2.689225 ESP Fit Center 8366 is at -2.463044 1.315066 3.808384 ESP Fit Center 8367 is at -2.046288 1.315066 3.771922 ESP Fit Center 8368 is at -2.254666 1.675987 3.771922 ESP Fit Center 8369 is at -2.671422 1.675987 3.771922 ESP Fit Center 8370 is at -2.879799 1.315066 3.771922 ESP Fit Center 8371 is at -2.671422 0.954145 3.771922 ESP Fit Center 8372 is at -2.254666 0.954145 3.771922 ESP Fit Center 8373 is at -1.642195 1.315066 3.663646 ESP Fit Center 8374 is at -1.752168 1.725491 3.663646 ESP Fit Center 8375 is at -2.052620 2.025942 3.663646 ESP Fit Center 8376 is at -2.463044 2.135915 3.663646 ESP Fit Center 8377 is at -2.873468 2.025942 3.663646 ESP Fit Center 8378 is at -3.173919 1.725491 3.663646 ESP Fit Center 8379 is at -3.283892 1.315066 3.663646 ESP Fit Center 8380 is at -3.173919 0.904642 3.663646 ESP Fit Center 8381 is at -2.873468 0.604191 3.663646 ESP Fit Center 8382 is at -2.463044 0.494218 3.663646 ESP Fit Center 8383 is at -2.052620 0.604191 3.663646 ESP Fit Center 8384 is at -1.752168 0.904642 3.663646 ESP Fit Center 8385 is at -1.263044 1.315066 3.486845 ESP Fit Center 8386 is at -1.335413 1.725491 3.486845 ESP Fit Center 8387 is at -1.543790 2.086412 3.486845 ESP Fit Center 8388 is at -1.863044 2.354297 3.486845 ESP Fit Center 8389 is at -2.254666 2.496836 3.486845 ESP Fit Center 8390 is at -2.671422 2.496836 3.486845 ESP Fit Center 8391 is at -3.063044 2.354297 3.486845 ESP Fit Center 8392 is at -3.382297 2.086412 3.486845 ESP Fit Center 8393 is at -3.590675 1.725491 3.486845 ESP Fit Center 8394 is at -3.063044 0.275836 3.486845 ESP Fit Center 8395 is at -2.671422 0.133297 3.486845 ESP Fit Center 8396 is at -2.254666 0.133297 3.486845 ESP Fit Center 8397 is at -1.863044 0.275836 3.486845 ESP Fit Center 8398 is at -1.543790 0.543721 3.486845 ESP Fit Center 8399 is at -1.335413 0.904642 3.486845 ESP Fit Center 8400 is at -0.920354 1.315066 3.246890 ESP Fit Center 8401 is at -0.977561 1.731279 3.246890 ESP Fit Center 8402 is at -1.144939 2.116624 3.246890 ESP Fit Center 8403 is at -1.410076 2.442520 3.246890 ESP Fit Center 8404 is at -1.753306 2.684798 3.246890 ESP Fit Center 8405 is at -2.149174 2.825490 3.246890 ESP Fit Center 8406 is at -2.568321 2.854160 3.246890 ESP Fit Center 8407 is at -2.979659 2.768683 3.246890 ESP Fit Center 8408 is at -3.352683 2.575398 3.246890 ESP Fit Center 8409 is at -3.659726 2.288640 3.246890 ESP Fit Center 8410 is at -2.979659 -0.138550 3.246890 ESP Fit Center 8411 is at -2.568321 -0.224027 3.246890 ESP Fit Center 8412 is at -1.144939 0.513509 3.246890 ESP Fit Center 8413 is at -0.977561 0.898854 3.246890 ESP Fit Center 8414 is at -0.624537 1.315066 2.951074 ESP Fit Center 8415 is at -0.674094 1.739055 2.951074 ESP Fit Center 8416 is at -0.820094 2.140187 2.951074 ESP Fit Center 8417 is at -1.054666 2.496836 2.951074 ESP Fit Center 8418 is at -1.365164 2.789775 2.951074 ESP Fit Center 8419 is at -1.734849 3.003213 2.951074 ESP Fit Center 8420 is at -2.143790 3.125642 2.951074 ESP Fit Center 8421 is at -2.569943 3.150463 2.951074 ESP Fit Center 8422 is at -2.990333 3.076337 2.951074 ESP Fit Center 8423 is at -3.382297 2.907260 2.951074 ESP Fit Center 8424 is at -3.724704 2.652348 2.951074 ESP Fit Center 8425 is at -0.674094 0.891078 2.951074 ESP Fit Center 8426 is at -1.363613 3.078940 2.608384 ESP Fit Center 8427 is at -1.741183 3.264148 2.608384 ESP Fit Center 8428 is at -2.148307 3.369559 2.608384 ESP Fit Center 8429 is at -2.568316 3.390860 2.608384 ESP Fit Center 8430 is at -2.984015 3.327177 2.608384 ESP Fit Center 8431 is at -3.378386 3.181118 2.608384 ESP Fit Center 8432 is at -3.735282 2.958663 2.608384 ESP Fit Center 8433 is at -2.355734 3.567774 2.229232 ESP Fit Center 8434 is at -2.784001 3.547373 2.229232 ESP Fit Center 8435 is at -3.200668 3.446291 2.229232 ESP Fit Center 8436 is at -3.590675 3.268181 2.229232 ESP Fit Center 8437 is at -2.569084 3.676225 1.825139 ESP Fit Center 8438 is at -2.988981 3.619346 1.825139 Entering OneElI... OneElI was handed 2147310065 working-precision words. Calculate electrostatic properties NBasis = 291 MinDer = 0 MaxDer = 0 NGrid = 8438 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 18.77 Shift= 10.131361 5.797170 2.670393 Box 1 Number 0 centers from 1 to 104: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.28D+01 NSMCal= 5460 NSMKep= 2614 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 22056932 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs PRISM was handed 178734787 working-precision words and 2614 shell-pairs IPart= 7 NShTot= 1788856 NBatch= 1668 AvBLen= 1072.5 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 1822608 NBatch= 1715 AvBLen= 1062.7 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 1839484 NBatch= 1733 AvBLen= 1061.4 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 1982930 NBatch= 1937 AvBLen= 1023.7 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 1687600 NBatch= 1568 AvBLen= 1076.3 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 1721352 NBatch= 1600 AvBLen= 1075.8 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 1738228 NBatch= 1617 AvBLen= 1075.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 1763542 NBatch= 1646 AvBLen= 1071.4 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 1898550 NBatch= 1839 AvBLen= 1032.4 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 1923864 NBatch= 1864 AvBLen= 1032.1 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 1940740 NBatch= 1886 AvBLen= 1029.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 1949178 NBatch= 1894 AvBLen= 1029.1 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 8403 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00175 RRMS= 0.10306: ESP charges: 1 1 C 0.486072 2 C -0.427631 3 O -0.745329 4 O -0.660699 5 C 0.945613 6 N -0.774152 7 C 0.829170 8 O -0.635458 9 N -0.245019 10 C 0.105156 11 C -0.543935 12 H 0.033437 13 H 0.116410 14 H 0.113209 15 H 0.401317 16 H 0.190667 17 C 0.165948 18 H 0.122260 19 H 0.461296 20 C 0.092357 21 C -0.144588 22 C 0.098660 23 C -0.143288 24 C 0.005078 25 H 0.049963 26 H -0.042275 27 H -0.019942 28 H 0.038929 29 H 0.028774 30 H -0.011119 31 H -0.015632 32 H 0.029932 33 H 0.030111 34 H 0.054284 35 H 0.010424 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.519510 2 C -0.075752 3 O -0.284033 4 O -0.660699 5 C 0.945613 6 N -0.372835 7 C 0.829170 8 O -0.635458 9 N -0.245019 10 C 0.295823 11 C -0.543935 17 C 0.215911 20 C 0.030139 21 C -0.076884 22 C 0.071909 23 C -0.083245 24 C 0.069785 Charge= -0.00000 Dipole= 1.7506 -4.9317 1.0809 Tot= 5.3436 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.597459 2 Atom -14.718719 3 Atom -22.270962 4 Atom -22.350875 5 Atom -14.591335 6 Atom -18.272783 7 Atom -14.544913 8 Atom -22.339095 9 Atom -18.258030 10 Atom -14.650998 11 Atom -14.707713 12 Atom -1.096654 13 Atom -1.100868 14 Atom -1.090883 15 Atom -0.970843 16 Atom -1.053786 17 Atom -14.729056 18 Atom -1.098586 19 Atom -0.937160 20 Atom -14.729414 21 Atom -14.737224 22 Atom -14.744490 23 Atom -14.748610 24 Atom -14.753852 25 Atom -1.137685 26 Atom -1.144590 27 Atom -1.134848 28 Atom -1.139530 29 Atom -1.138873 30 Atom -1.145789 31 Atom -1.145566 32 Atom -1.150585 33 Atom -1.148917 34 Atom -1.174336 35 Atom -1.159509 36 Fit 0.004634 37 Fit -0.004881 38 Fit 0.002559 39 Fit 0.012521 40 Fit 0.011957 41 Fit 0.011667 42 Fit 0.012072 43 Fit 0.013131 44 Fit 0.012120 45 Fit 0.011968 46 Fit 0.013886 47 Fit 0.012906 48 Fit 0.012437 49 Fit 0.012483 50 Fit 0.015165 51 Fit 0.014613 52 Fit 0.013484 53 Fit 0.012773 54 Fit 0.013374 55 Fit 0.017030 56 Fit 0.017295 57 Fit 0.014551 58 Fit 0.013332 59 Fit 0.015423 60 Fit 0.018872 61 Fit 0.016893 62 Fit 0.012126 63 Fit 0.013014 64 Fit 0.024500 65 Fit 0.014929 66 Fit 0.010285 67 Fit 0.018420 68 Fit 0.012621 69 Fit 0.005703 70 Fit 0.024550 71 Fit 0.012323 72 Fit 0.001878 73 Fit -0.000721 74 Fit 0.003836 75 Fit 0.013516 76 Fit -0.002157 77 Fit -0.005022 78 Fit -0.001085 79 Fit 0.008237 80 Fit -0.006033 81 Fit -0.007327 82 Fit -0.001863 83 Fit 0.009130 84 Fit -0.009277 85 Fit -0.008486 86 Fit -0.001781 87 Fit 0.010108 88 Fit -0.009841 89 Fit -0.011695 90 Fit -0.007248 91 Fit 0.002376 92 Fit -0.014084 93 Fit -0.013612 94 Fit -0.007885 95 Fit 0.002558 96 Fit -0.013584 97 Fit -0.017681 98 Fit -0.016991 99 Fit -0.011810 100 Fit -0.002406 101 Fit 0.011397 102 Fit -0.015357 103 Fit -0.019828 104 Fit -0.021708 105 Fit -0.019923 106 Fit -0.014105 107 Fit -0.004267 108 Fit 0.009693 109 Fit -0.012007 110 Fit -0.016527 111 Fit -0.021052 112 Fit -0.024147 113 Fit -0.024940 114 Fit -0.022612 115 Fit -0.016690 116 Fit -0.007163 117 Fit 0.005745 118 Fit 0.016141 119 Fit 0.009561 120 Fit 0.004266 121 Fit -0.000885 122 Fit -0.006695 123 Fit -0.012941 124 Fit -0.018458 125 Fit -0.022996 126 Fit -0.026125 127 Fit -0.026714 128 Fit -0.023785 129 Fit -0.016910 130 Fit -0.006464 131 Fit 0.006219 132 Fit 0.002113 133 Fit -0.003528 134 Fit -0.009372 135 Fit -0.015337 136 Fit -0.021007 137 Fit -0.025210 138 Fit -0.026586 139 Fit -0.023783 140 Fit -0.016500 141 Fit -0.006413 142 Fit 0.002452 143 Fit 0.005391 144 Fit -0.009292 145 Fit -0.015128 146 Fit -0.021508 147 Fit -0.023622 148 Fit -0.018118 149 Fit -0.009948 150 Fit -0.017876 151 Fit -0.029519 152 Fit -0.021645 153 Fit -0.032880 154 Fit -0.038765 155 Fit -0.035628 156 Fit -0.025021 157 Fit -0.024560 158 Fit -0.035283 159 Fit -0.042358 160 Fit -0.045467 161 Fit -0.045101 162 Fit -0.027567 163 Fit -0.038080 164 Fit -0.045212 165 Fit -0.049034 166 Fit -0.050465 167 Fit -0.050215 168 Fit -0.015349 169 Fit -0.028708 170 Fit -0.039706 171 Fit -0.047048 172 Fit -0.051173 173 Fit -0.053080 174 Fit -0.053681 175 Fit -0.053547 176 Fit -0.052619 177 Fit -0.016314 178 Fit -0.032732 179 Fit -0.043908 180 Fit -0.050498 181 Fit -0.053851 182 Fit -0.055215 183 Fit -0.055511 184 Fit -0.055290 185 Fit -0.054714 186 Fit -0.020502 187 Fit -0.037407 188 Fit -0.047476 189 Fit -0.052971 190 Fit -0.055562 191 Fit -0.056444 192 Fit -0.056407 193 Fit -0.055848 194 Fit -0.054722 195 Fit -0.033560 196 Fit -0.045964 197 Fit -0.052627 198 Fit -0.055787 199 Fit -0.056879 200 Fit -0.056812 201 Fit -0.056027 202 Fit -0.054392 203 Fit -0.033266 204 Fit -0.045948 205 Fit -0.052690 206 Fit -0.055835 207 Fit -0.056843 208 Fit -0.056606 209 Fit -0.055487 210 Fit -0.053120 211 Fit -0.018523 212 Fit -0.036955 213 Fit -0.047565 214 Fit -0.053185 215 Fit -0.055669 216 Fit -0.056244 217 Fit -0.055610 218 Fit -0.053867 219 Fit -0.050110 220 Fit -0.031953 221 Fit -0.044059 222 Fit -0.050908 223 Fit -0.054128 224 Fit -0.055031 225 Fit -0.054413 226 Fit -0.052393 227 Fit -0.048054 228 Fit -0.013830 229 Fit -0.028308 230 Fit -0.040130 231 Fit -0.047762 232 Fit -0.051742 233 Fit -0.053116 234 Fit -0.052682 235 Fit -0.050658 236 Fit -0.046589 237 Fit -0.028667 238 Fit -0.039288 239 Fit -0.046388 240 Fit -0.049813 241 Fit -0.050410 242 Fit -0.048819 243 Fit -0.045187 244 Fit -0.039929 245 Fit -0.034013 246 Fit -0.026373 247 Fit -0.027433 248 Fit -0.037455 249 Fit -0.044116 250 Fit -0.046656 251 Fit -0.045722 252 Fit -0.041970 253 Fit -0.035865 254 Fit -0.027181 255 Fit -0.026181 256 Fit -0.036002 257 Fit -0.041268 258 Fit -0.038885 259 Fit -0.030694 260 Fit -0.022822 261 Fit -0.033668 262 Fit 0.007351 263 Fit 0.010714 264 Fit 0.004149 265 Fit -0.001426 266 Fit 0.002383 267 Fit 0.009210 268 Fit 0.012534 269 Fit 0.000249 270 Fit -0.007920 271 Fit -0.014670 272 Fit -0.013208 273 Fit -0.003618 274 Fit 0.006138 275 Fit 0.015320 276 Fit 0.016932 277 Fit -0.003830 278 Fit -0.014395 279 Fit 0.023379 280 Fit -0.014426 281 Fit -0.017534 282 Fit -0.014791 283 Fit -0.005761 284 Fit -0.004663 285 Fit -0.012779 286 Fit -0.020345 287 Fit -0.020142 288 Fit -0.012646 289 Fit -0.004467 290 Fit 0.000283 291 Fit 0.003656 292 Fit 0.008113 293 Fit 0.009179 294 Fit 0.003609 295 Fit -0.002063 296 Fit -0.007867 297 Fit -0.005343 298 Fit 0.001190 299 Fit 0.005199 300 Fit 0.000299 301 Fit 0.004361 302 Fit 0.005237 303 Fit 0.000769 304 Fit 0.000533 305 Fit 0.005472 306 Fit 0.010399 307 Fit 0.010779 308 Fit 0.006932 309 Fit 0.001653 310 Fit 0.000285 311 Fit -0.000770 312 Fit -0.001766 313 Fit 0.001146 314 Fit 0.017764 315 Fit 0.019939 316 Fit 0.000993 317 Fit 0.001688 318 Fit 0.003648 319 Fit 0.003014 320 Fit -0.000810 321 Fit -0.004711 322 Fit 0.026291 323 Fit -0.000413 324 Fit 0.006810 325 Fit -0.003108 326 Fit -0.002157 327 Fit -0.001120 328 Fit -0.012618 329 Fit -0.003475 330 Fit 0.000618 331 Fit 0.004904 332 Fit 0.004849 333 Fit -0.000124 334 Fit -0.006209 335 Fit 0.015346 336 Fit 0.000184 337 Fit -0.002214 338 Fit -0.001410 339 Fit -0.002054 340 Fit -0.004481 341 Fit -0.004248 342 Fit 0.007684 343 Fit 0.009849 344 Fit -0.001073 345 Fit -0.003407 346 Fit -0.004127 347 Fit -0.001688 348 Fit 0.001836 349 Fit 0.002546 350 Fit -0.002137 351 Fit 0.017458 352 Fit 0.012121 353 Fit 0.010749 354 Fit 0.015180 355 Fit 0.020295 356 Fit 0.021126 357 Fit 0.018519 358 Fit 0.003067 359 Fit -0.001769 360 Fit 0.001735 361 Fit 0.007208 362 Fit 0.022203 363 Fit 0.023769 364 Fit -0.007096 365 Fit 0.001621 366 Fit -0.004134 367 Fit 0.002285 368 Fit -0.011704 369 Fit -0.008251 370 Fit -0.000491 371 Fit 0.012870 372 Fit 0.014262 373 Fit 0.006734 374 Fit -0.001645 375 Fit -0.000029 376 Fit 0.000490 377 Fit 0.006238 378 Fit 0.010964 379 Fit 0.011106 380 Fit 0.006899 381 Fit 0.007202 382 Fit -0.015274 383 Fit -0.023714 384 Fit -0.025223 385 Fit -0.015942 386 Fit -0.012449 387 Fit -0.030221 388 Fit -0.033964 389 Fit -0.032703 390 Fit -0.026332 391 Fit -0.015251 392 Fit -0.020567 393 Fit -0.035448 394 Fit -0.039183 395 Fit -0.039930 396 Fit -0.037562 397 Fit -0.031396 398 Fit -0.021252 399 Fit -0.027596 400 Fit -0.039484 401 Fit -0.042687 402 Fit -0.044096 403 Fit -0.043699 404 Fit -0.040915 405 Fit -0.034851 406 Fit -0.024856 407 Fit -0.011629 408 Fit -0.033770 409 Fit -0.042336 410 Fit -0.045146 411 Fit -0.046677 412 Fit -0.046938 413 Fit -0.045418 414 Fit -0.041153 415 Fit -0.032860 416 Fit -0.019316 417 Fit -0.030109 418 Fit -0.037702 419 Fit -0.044148 420 Fit -0.046631 421 Fit -0.048172 422 Fit -0.048824 423 Fit -0.048223 424 Fit -0.045589 425 Fit -0.039709 426 Fit -0.028854 427 Fit -0.010594 428 Fit -0.024207 429 Fit -0.034068 430 Fit -0.040252 431 Fit -0.045145 432 Fit -0.047521 433 Fit -0.049051 434 Fit -0.049816 435 Fit -0.049476 436 Fit -0.047273 437 Fit -0.041976 438 Fit -0.031676 439 Fit -0.013119 440 Fit -0.025370 441 Fit -0.035385 442 Fit -0.041422 443 Fit -0.045530 444 Fit -0.047897 445 Fit -0.049417 446 Fit -0.050179 447 Fit -0.049846 448 Fit -0.047655 449 Fit -0.042363 450 Fit -0.032038 451 Fit -0.013354 452 Fit -0.035502 453 Fit -0.041768 454 Fit -0.045418 455 Fit -0.047833 456 Fit -0.049319 457 Fit -0.049955 458 Fit -0.049370 459 Fit -0.046769 460 Fit -0.040904 461 Fit -0.029975 462 Fit -0.034878 463 Fit -0.041506 464 Fit -0.044820 465 Fit -0.047362 466 Fit -0.048740 467 Fit -0.048952 468 Fit -0.047458 469 Fit -0.043251 470 Fit -0.034976 471 Fit -0.021271 472 Fit -0.033079 473 Fit -0.040512 474 Fit -0.043626 475 Fit -0.046178 476 Fit -0.047269 477 Fit -0.046774 478 Fit -0.044035 479 Fit -0.038094 480 Fit -0.028236 481 Fit -0.015164 482 Fit -0.031560 483 Fit -0.039117 484 Fit -0.041601 485 Fit -0.044123 486 Fit -0.044390 487 Fit -0.041968 488 Fit -0.036046 489 Fit -0.026455 490 Fit -0.014758 491 Fit -0.017215 492 Fit -0.028245 493 Fit -0.036523 494 Fit -0.038382 495 Fit -0.040454 496 Fit -0.038759 497 Fit -0.032773 498 Fit -0.022979 499 Fit -0.013947 500 Fit -0.023974 501 Fit -0.032744 502 Fit -0.033467 503 Fit -0.033427 504 Fit -0.025216 505 Fit -0.015631 506 Fit -0.016574 507 Fit -0.025927 508 Fit -0.026183 509 Fit 0.017130 510 Fit 0.017496 511 Fit 0.017096 512 Fit 0.016960 513 Fit 0.020074 514 Fit 0.020560 515 Fit 0.017759 516 Fit 0.025843 517 Fit 0.007293 518 Fit 0.008136 519 Fit 0.013476 520 Fit 0.007940 521 Fit -0.004183 522 Fit -0.006480 523 Fit -0.001442 524 Fit 0.003680 525 Fit 0.006641 526 Fit 0.006333 527 Fit 0.001737 528 Fit -0.001685 529 Fit -0.000337 530 Fit 0.001847 531 Fit 0.014458 532 Fit 0.017924 533 Fit 0.013724 534 Fit 0.009597 535 Fit 0.011351 536 Fit 0.016767 537 Fit 0.019833 538 Fit 0.015505 539 Fit 0.011198 540 Fit 0.010409 541 Fit 0.015868 542 Fit 0.020221 543 Fit 0.023333 544 Fit 0.025615 545 Fit 0.025209 546 Fit 0.020702 547 Fit 0.024010 548 Fit 0.026413 549 Fit 0.028041 550 Fit 0.030764 551 Fit -0.001860 552 Fit -0.000175 553 Fit -0.001287 554 Fit -0.006425 555 Fit -0.012610 556 Fit 0.006238 557 Fit 0.002973 558 Fit -0.008397 559 Fit -0.004926 560 Fit -0.002957 561 Fit -0.003856 562 Fit -0.005479 563 Fit -0.003791 564 Fit -0.000970 565 Fit 0.000056 566 Fit -0.004135 567 Fit -0.006011 568 Fit -0.003891 569 Fit -0.002913 570 Fit -0.002998 571 Fit 0.005990 572 Fit 0.005920 573 Fit 0.007171 574 Fit 0.007095 575 Fit 0.005774 576 Fit 0.009052 577 Fit 0.011230 578 Fit 0.011863 579 Fit 0.009902 580 Fit 0.007850 581 Fit 0.019120 582 Fit 0.016399 583 Fit -0.007590 584 Fit 0.001065 585 Fit 0.006059 586 Fit -0.002126 587 Fit -0.006097 588 Fit -0.007170 589 Fit -0.007226 590 Fit -0.007759 591 Fit -0.008940 592 Fit -0.004139 593 Fit -0.001070 594 Fit -0.003972 595 Fit -0.007218 596 Fit -0.008674 597 Fit -0.008411 598 Fit -0.006465 599 Fit 0.019542 600 Fit 0.008726 601 Fit -0.005959 602 Fit 0.018747 603 Fit 0.008888 604 Fit -0.004317 605 Fit -0.024198 606 Fit 0.036866 607 Fit 0.027449 608 Fit 0.018520 609 Fit 0.009488 610 Fit -0.002345 611 Fit -0.019416 612 Fit 0.044812 613 Fit 0.034608 614 Fit 0.026414 615 Fit 0.018302 616 Fit 0.009968 617 Fit -0.000727 618 Fit -0.015350 619 Fit 0.041635 620 Fit 0.032866 621 Fit 0.025542 622 Fit 0.017830 623 Fit 0.010019 624 Fit 0.000232 625 Fit -0.011974 626 Fit 0.037703 627 Fit 0.030910 628 Fit 0.024505 629 Fit 0.016923 630 Fit 0.009817 631 Fit 0.001464 632 Fit -0.006660 633 Fit -0.010008 634 Fit -0.003698 635 Fit 0.006830 636 Fit 0.025685 637 Fit 0.029894 638 Fit 0.027446 639 Fit 0.022761 640 Fit 0.015473 641 Fit 0.009288 642 Fit 0.003422 643 Fit 0.001647 644 Fit 0.005086 645 Fit 0.007740 646 Fit 0.006450 647 Fit 0.006420 648 Fit 0.016165 649 Fit 0.021198 650 Fit 0.019991 651 Fit 0.013457 652 Fit 0.008656 653 Fit 0.007733 654 Fit 0.008375 655 Fit 0.010590 656 Fit 0.015211 657 Fit 0.010979 658 Fit 0.011311 659 Fit 0.011376 660 Fit 0.011209 661 Fit 0.011211 662 Fit 0.011297 663 Fit 0.011588 664 Fit 0.011562 665 Fit 0.011265 666 Fit 0.010900 667 Fit 0.010536 668 Fit 0.010536 669 Fit 0.010974 670 Fit 0.011361 671 Fit 0.011779 672 Fit 0.011661 673 Fit 0.010888 674 Fit 0.010222 675 Fit 0.009398 676 Fit 0.008687 677 Fit 0.008631 678 Fit 0.009525 679 Fit 0.010869 680 Fit 0.011823 681 Fit 0.012567 682 Fit 0.011558 683 Fit 0.010242 684 Fit 0.009130 685 Fit 0.007720 686 Fit 0.006134 687 Fit 0.004906 688 Fit 0.004866 689 Fit 0.006585 690 Fit 0.009521 691 Fit 0.012105 692 Fit 0.013456 693 Fit 0.011342 694 Fit 0.009414 695 Fit 0.007654 696 Fit 0.005443 697 Fit 0.002740 698 Fit -0.000068 699 Fit -0.002021 700 Fit -0.001648 701 Fit 0.002132 702 Fit 0.008327 703 Fit 0.013694 704 Fit 0.016024 705 Fit 0.011175 706 Fit 0.008605 707 Fit 0.005807 708 Fit 0.002299 709 Fit -0.002170 710 Fit -0.007378 711 Fit -0.012215 712 Fit -0.014080 713 Fit -0.009412 714 Fit 0.002579 715 Fit 0.011452 716 Fit 0.008221 717 Fit 0.003721 718 Fit -0.001996 719 Fit 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Fit -0.005582 8417 Fit -0.009196 8418 Fit -0.011857 8419 Fit -0.013201 8420 Fit -0.013330 8421 Fit -0.012583 8422 Fit -0.011306 8423 Fit -0.009742 8424 Fit -0.008006 8425 Fit 0.003716 8426 Fit -0.017860 8427 Fit -0.018567 8428 Fit -0.017966 8429 Fit -0.016579 8430 Fit -0.014811 8431 Fit -0.012912 8432 Fit -0.011008 8433 Fit -0.022597 8434 Fit -0.020025 8435 Fit -0.017440 8436 Fit -0.015017 8437 Fit -0.026986 8438 Fit -0.023218 ----------------------------------------------------------------- Leave Link 602 at Mon May 6 18:45:05 2024, MaxMem= 2147483648 cpu: 2.0 elap: 0.3 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 0.013485155 -0.016813618 0.002925754 2 6 -0.008289666 0.014857053 -0.002144414 3 8 0.053499913 -0.034274232 0.008795120 4 8 0.063127617 -0.026393607 0.013228861 5 6 -0.028688024 0.044217198 -0.018991980 6 7 0.015867805 0.042232615 -0.011561822 7 6 0.019796733 0.021214936 -0.008892537 8 8 -0.028050362 -0.012617111 0.003149528 9 7 0.028506776 -0.019117194 0.010376305 10 6 -0.023754572 0.002252070 -0.003594671 11 6 -0.028339167 -0.019389692 -0.034147774 12 1 -0.012223289 0.004941901 0.000667724 13 1 0.000963715 -0.005284193 0.002516369 14 1 -0.002720471 0.003326738 -0.000172018 15 1 -0.006258967 -0.054069084 0.018260749 16 1 0.013074611 0.014111206 -0.006066333 17 6 -0.008055475 -0.006109568 0.121175454 18 1 0.004426540 0.000548317 -0.000838902 19 1 -0.065669397 0.051131677 -0.018523159 20 6 0.017885316 -0.008636604 -0.040001265 21 6 -0.001479228 0.003711459 -0.000212814 22 6 -0.002839824 -0.000012296 0.001116993 23 6 0.002644276 -0.007475828 0.002515305 24 6 -0.003701640 0.020779689 -0.047367646 25 1 -0.001988785 0.000969863 0.007823838 26 1 0.003672463 -0.008334112 0.006191140 27 1 0.003455875 -0.003828522 -0.010767756 28 1 0.000686015 -0.003105697 0.009457356 29 1 0.000133396 -0.004316942 -0.008418543 30 1 -0.003677217 -0.001758412 0.009024176 31 1 -0.004237714 -0.002175939 -0.009127825 32 1 -0.001383981 0.002837009 0.009343742 33 1 -0.002689499 0.002772308 -0.009003731 34 1 -0.009163975 0.000151793 0.016424431 35 1 0.001985047 0.003656816 -0.013159656 ------------------------------------------------------------------- Cartesian Forces: Max 0.121175454 RMS 0.022547816 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.085185117 RMS 0.013209397 Search for a local minimum. Step number 1 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00232 0.00234 0.00237 0.00243 0.00442 Eigenvalues --- 0.00495 0.00989 0.01428 0.01457 0.01475 Eigenvalues --- 0.01648 0.01687 0.01840 0.01930 0.02007 Eigenvalues --- 0.02042 0.02076 0.02350 0.02550 0.02902 Eigenvalues --- 0.02905 0.02908 0.04681 0.04683 0.04751 Eigenvalues --- 0.04878 0.05023 0.05050 0.05352 0.05530 Eigenvalues --- 0.05813 0.05845 0.05847 0.08115 0.08222 Eigenvalues --- 0.09353 0.09360 0.09362 0.09362 0.09368 Eigenvalues --- 0.10129 0.11310 0.12921 0.12924 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.17849 0.19683 0.22192 0.22192 0.22999 Eigenvalues --- 0.23582 0.23924 0.24998 0.24999 0.24999 Eigenvalues --- 0.25000 0.25000 0.25000 0.27605 0.27781 Eigenvalues --- 0.28490 0.28498 0.28515 0.28526 0.28569 Eigenvalues --- 0.29935 0.33400 0.34740 0.34779 0.34783 Eigenvalues --- 0.34788 0.34800 0.34800 0.34800 0.34816 Eigenvalues --- 0.34820 0.34835 0.34836 0.34846 0.34852 Eigenvalues --- 0.34859 0.34891 0.34900 0.37296 0.37748 Eigenvalues --- 0.39864 0.42796 0.44863 0.47500 0.49873 Eigenvalues --- 0.50517 0.56358 0.88874 0.96818 RFO step: Lambda=-9.67381080D-02 EMin= 2.32440000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.660 Iteration 1 RMS(Cart)= 0.13923148 RMS(Int)= 0.00397824 Iteration 2 RMS(Cart)= 0.00964623 RMS(Int)= 0.00080501 Iteration 3 RMS(Cart)= 0.00003591 RMS(Int)= 0.00080489 Iteration 4 RMS(Cart)= 0.00000006 RMS(Int)= 0.00080489 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88094 -0.00043 0.00000 -0.00071 -0.00071 2.88023 R2 2.67922 -0.01223 0.00000 -0.01540 -0.01540 2.66382 R3 2.81655 -0.02503 0.00000 -0.03838 -0.03838 2.77817 R4 2.05942 -0.00881 0.00000 -0.01307 -0.01307 2.04635 R5 2.05926 -0.00443 0.00000 -0.00657 -0.00657 2.05269 R6 2.05974 -0.00411 0.00000 -0.00609 -0.00609 2.05365 R7 2.05969 -0.00402 0.00000 -0.00597 -0.00597 2.05371 R8 1.98439 -0.08519 0.00000 -0.11357 -0.11357 1.87082 R9 2.33457 -0.06669 0.00000 -0.04469 -0.04469 2.28987 R10 2.60496 0.00194 0.00000 0.00220 0.00213 2.60708 R11 2.73213 0.02950 0.00000 0.04150 0.04159 2.77372 R12 2.61800 -0.02033 0.00000 -0.02416 -0.02432 2.59368 R13 2.02102 -0.05735 0.00000 -0.08064 -0.08064 1.94038 R14 2.29941 -0.03086 0.00000 -0.01914 -0.01914 2.28027 R15 2.58430 -0.01027 0.00000 -0.01210 -0.01219 2.57211 R16 2.59444 0.00820 0.00000 0.00891 0.00897 2.60341 R17 2.52704 -0.00135 0.00000 -0.00051 -0.00035 2.52669 R18 2.05943 -0.01691 0.00000 -0.02508 -0.02508 2.03435 R19 2.91062 0.01289 0.00000 0.02230 0.02230 2.93293 R20 2.90859 0.01499 0.00000 0.02650 0.02660 2.93519 R21 2.90952 0.02133 0.00000 0.03761 0.03777 2.94729 R22 2.05853 0.00781 0.00000 0.01158 0.01158 2.07011 R23 2.91062 0.00629 0.00000 0.01075 0.01078 2.92140 R24 2.06020 -0.00025 0.00000 -0.00037 -0.00037 2.05983 R25 2.05915 -0.00588 0.00000 -0.00873 -0.00873 2.05043 R26 2.91098 0.00848 0.00000 0.01393 0.01382 2.92480 R27 2.06001 -0.00586 0.00000 -0.00870 -0.00870 2.05132 R28 2.05838 -0.00460 0.00000 -0.00682 -0.00682 2.05156 R29 2.91077 0.00983 0.00000 0.01639 0.01624 2.92701 R30 2.05905 -0.00485 0.00000 -0.00719 -0.00719 2.05185 R31 2.06036 -0.00492 0.00000 -0.00730 -0.00730 2.05305 R32 2.90993 0.00914 0.00000 0.01594 0.01591 2.92583 R33 2.06001 -0.00601 0.00000 -0.00892 -0.00892 2.05109 R34 2.06029 -0.00511 0.00000 -0.00759 -0.00759 2.05270 R35 2.06099 -0.01431 0.00000 -0.02128 -0.02128 2.03971 R36 2.06001 -0.00822 0.00000 -0.01221 -0.01221 2.04781 A1 1.87530 0.01775 0.00000 0.04413 0.04371 1.91901 A2 1.99050 -0.00699 0.00000 -0.01785 -0.01752 1.97299 A3 1.90273 0.00202 0.00000 0.01241 0.01184 1.91457 A4 1.88895 -0.01249 0.00000 -0.03356 -0.03329 1.85566 A5 1.90209 0.00032 0.00000 0.00838 0.00741 1.90950 A6 1.90258 -0.00029 0.00000 -0.01208 -0.01206 1.89052 A7 1.91118 0.00498 0.00000 0.01321 0.01318 1.92435 A8 1.91136 -0.00026 0.00000 -0.00150 -0.00149 1.90986 A9 1.91143 0.00199 0.00000 0.00556 0.00553 1.91696 A10 1.91061 -0.00302 0.00000 -0.00864 -0.00864 1.90197 A11 1.91015 -0.00226 0.00000 -0.00414 -0.00421 1.90594 A12 1.90907 -0.00145 0.00000 -0.00452 -0.00452 1.90455 A13 1.91134 -0.00723 0.00000 -0.01859 -0.01859 1.89274 A14 2.10628 -0.02654 0.00000 -0.05112 -0.05113 2.05515 A15 2.19306 0.02030 0.00000 0.03810 0.03809 2.23115 A16 1.98381 0.00625 0.00000 0.01304 0.01306 1.99687 A17 2.20968 0.01132 0.00000 0.02108 0.02086 2.23054 A18 2.03651 -0.00296 0.00000 -0.00358 -0.00347 2.03304 A19 2.03700 -0.00837 0.00000 -0.01750 -0.01739 2.01960 A20 2.12273 0.00387 0.00000 0.00960 0.00973 2.13246 A21 2.01158 -0.00513 0.00000 -0.01421 -0.01447 1.99711 A22 2.14885 0.00126 0.00000 0.00463 0.00476 2.15361 A23 2.04638 -0.00282 0.00000 -0.00392 -0.00390 2.04248 A24 2.10265 0.00282 0.00000 0.00682 0.00684 2.10949 A25 2.13412 -0.00000 0.00000 -0.00290 -0.00294 2.13118 A26 2.11272 0.01987 0.00000 0.04200 0.04221 2.15493 A27 2.08507 -0.02101 0.00000 -0.04950 -0.04960 2.03547 A28 2.08539 0.00114 0.00000 0.00750 0.00739 2.09279 A29 2.11442 -0.03232 0.00000 -0.05905 -0.05880 2.05563 A30 2.01563 0.06670 0.00000 0.12580 0.12567 2.14131 A31 2.15311 -0.03439 0.00000 -0.06676 -0.06688 2.08623 A32 2.09433 -0.04065 0.00000 -0.07741 -0.07869 2.01564 A33 2.09412 0.02986 0.00000 0.05687 0.05397 2.14809 A34 1.57099 0.00546 0.00000 0.03394 0.03480 1.60580 A35 2.09474 0.01079 0.00000 0.02054 0.01873 2.11347 A36 1.57093 0.00724 0.00000 0.03941 0.04082 1.61174 A37 1.57045 0.00446 0.00000 0.02884 0.02667 1.59712 A38 2.09433 -0.00719 0.00000 -0.01327 -0.01316 2.08117 A39 1.86426 0.00782 0.00000 0.02636 0.02571 1.88997 A40 1.86408 0.00177 0.00000 0.00194 0.00257 1.86664 A41 1.86255 0.00035 0.00000 0.00155 0.00268 1.86523 A42 1.86281 0.00305 0.00000 0.00526 0.00410 1.86691 A43 1.91172 -0.00643 0.00000 -0.02493 -0.02493 1.88679 A44 2.09452 0.00265 0.00000 0.00495 0.00482 2.09934 A45 1.86356 0.00032 0.00000 0.00276 0.00278 1.86634 A46 1.86367 -0.00136 0.00000 -0.00180 -0.00185 1.86182 A47 1.86299 -0.00053 0.00000 -0.00070 -0.00006 1.86292 A48 1.86408 0.00218 0.00000 0.01099 0.01039 1.87447 A49 1.91079 -0.00398 0.00000 -0.01926 -0.01926 1.89153 A50 2.09381 0.00096 0.00000 0.00087 0.00054 2.09435 A51 1.86424 -0.00031 0.00000 -0.00221 -0.00193 1.86231 A52 1.86258 0.00115 0.00000 0.00862 0.00843 1.87101 A53 1.86355 0.00008 0.00000 -0.00053 -0.00046 1.86309 A54 1.86393 0.00200 0.00000 0.01122 0.01126 1.87519 A55 1.91166 -0.00459 0.00000 -0.02109 -0.02110 1.89056 A56 2.09424 0.00667 0.00000 0.01408 0.01381 2.10806 A57 1.86349 -0.00197 0.00000 -0.00551 -0.00571 1.85778 A58 1.86288 0.00106 0.00000 0.01011 0.01035 1.87323 A59 1.86445 -0.00121 0.00000 -0.00137 -0.00149 1.86296 A60 1.86354 -0.00194 0.00000 -0.00182 -0.00177 1.86178 A61 1.91104 -0.00342 0.00000 -0.01886 -0.01888 1.89216 A62 2.09474 -0.01387 0.00000 -0.02714 -0.02678 2.06796 A63 1.86396 0.01347 0.00000 0.04208 0.04235 1.90631 A64 1.86375 0.00182 0.00000 -0.00017 -0.00058 1.86318 A65 1.86277 -0.00141 0.00000 -0.00717 -0.00792 1.85485 A66 1.86378 0.00647 0.00000 0.01357 0.01442 1.87819 A67 1.91056 -0.00688 0.00000 -0.02341 -0.02342 1.88713 D1 -3.14134 0.00567 0.00000 0.01861 0.01887 -3.12247 D2 1.04671 0.00647 0.00000 0.02201 0.02229 1.06900 D3 -1.04671 0.00719 0.00000 0.02506 0.02536 -1.02135 D4 -1.04775 -0.00202 0.00000 -0.00397 -0.00405 -1.05180 D5 3.14030 -0.00122 0.00000 -0.00057 -0.00063 3.13967 D6 1.04688 -0.00050 0.00000 0.00248 0.00244 1.04932 D7 1.08293 -0.00568 0.00000 -0.02261 -0.02285 1.06008 D8 -1.01221 -0.00488 0.00000 -0.01921 -0.01943 -1.03164 D9 -3.10563 -0.00417 0.00000 -0.01616 -0.01636 -3.12199 D10 -1.04731 -0.00619 0.00000 -0.02144 -0.02183 -1.06914 D11 3.07886 -0.00101 0.00000 -0.00650 -0.00630 3.07256 D12 1.01202 0.00626 0.00000 0.02236 0.02254 1.03457 D13 1.50432 -0.00383 0.00000 -0.00838 -0.00846 1.49586 D14 -1.62901 -0.00388 0.00000 -0.00858 -0.00866 -1.63768 D15 -2.69297 0.00546 0.00000 0.01267 0.01272 -2.68025 D16 0.45688 0.00541 0.00000 0.01247 0.01252 0.46940 D17 -0.62644 -0.00144 0.00000 -0.00319 -0.00315 -0.62959 D18 2.52341 -0.00148 0.00000 -0.00339 -0.00335 2.52005 D19 3.13740 0.00114 0.00000 0.00591 0.00597 -3.13981 D20 -0.00404 0.00093 0.00000 0.00482 0.00481 0.00078 D21 0.00499 0.00053 0.00000 0.00284 0.00298 0.00797 D22 -3.13645 0.00032 0.00000 0.00174 0.00182 -3.13463 D23 -3.14011 -0.00167 0.00000 -0.01028 -0.01026 3.13282 D24 0.00773 -0.00138 0.00000 -0.00885 -0.00883 -0.00110 D25 -0.00824 -0.00132 0.00000 -0.00759 -0.00748 -0.01571 D26 3.13960 -0.00103 0.00000 -0.00616 -0.00604 3.13356 D27 3.13693 0.00076 0.00000 0.00431 0.00424 3.14117 D28 0.00277 0.00027 0.00000 0.00126 0.00127 0.00404 D29 -0.00482 0.00097 0.00000 0.00540 0.00540 0.00057 D30 -3.13898 0.00048 0.00000 0.00235 0.00242 -3.13655 D31 -3.14117 -0.00018 0.00000 -0.00083 -0.00095 3.14107 D32 -0.00799 -0.00012 0.00000 -0.00057 -0.00069 -0.00868 D33 0.00799 -0.00070 0.00000 -0.00395 -0.00399 0.00400 D34 3.14117 -0.00064 0.00000 -0.00370 -0.00373 3.13743 D35 3.13786 -0.00079 0.00000 -0.00427 -0.00437 3.13349 D36 -0.00347 -0.00063 0.00000 -0.00349 -0.00354 -0.00701 D37 0.00495 -0.00083 0.00000 -0.00448 -0.00459 0.00036 D38 -3.13638 -0.00067 0.00000 -0.00370 -0.00375 -3.14013 D39 0.00377 0.00156 0.00000 0.00874 0.00869 0.01246 D40 3.13861 0.00162 0.00000 0.00790 0.00801 -3.13656 D41 -3.13809 0.00140 0.00000 0.00795 0.00782 -3.13027 D42 -0.00325 0.00145 0.00000 0.00710 0.00714 0.00389 D43 2.79726 -0.01134 0.00000 -0.06685 -0.06526 2.73200 D44 -0.34435 0.00845 0.00000 0.05110 0.05114 -0.29322 D45 -1.91486 0.00016 0.00000 -0.00178 -0.00341 -1.91828 D46 -0.33793 -0.01106 0.00000 -0.06544 -0.06385 -0.40178 D47 2.80364 0.00873 0.00000 0.05251 0.05255 2.85619 D48 1.23313 0.00043 0.00000 -0.00037 -0.00200 1.23113 D49 3.14159 0.00918 0.00000 0.05242 0.04818 -3.09341 D50 -1.02232 0.01131 0.00000 0.06783 0.06455 -0.95777 D51 1.02212 0.00862 0.00000 0.05301 0.04972 1.07184 D52 0.00003 -0.01062 0.00000 -0.06557 -0.06570 -0.06568 D53 2.11930 -0.00849 0.00000 -0.05016 -0.04934 2.06996 D54 -2.11945 -0.01118 0.00000 -0.06498 -0.06417 -2.18362 D55 1.57049 -0.00129 0.00000 -0.00949 -0.00988 1.56062 D56 -2.59342 0.00084 0.00000 0.00592 0.00649 -2.58693 D57 -0.54898 -0.00185 0.00000 -0.00890 -0.00834 -0.55732 D58 3.14086 -0.00835 0.00000 -0.04811 -0.05236 3.08850 D59 1.02125 -0.00825 0.00000 -0.05548 -0.05849 0.96276 D60 -1.02153 -0.00784 0.00000 -0.04909 -0.05217 -1.07370 D61 -0.00076 0.01145 0.00000 0.06986 0.07037 0.06961 D62 -2.12037 0.01155 0.00000 0.06249 0.06424 -2.05613 D63 2.12003 0.01196 0.00000 0.06888 0.07056 2.19059 D64 -1.57151 0.00051 0.00000 0.00769 0.00657 -1.56493 D65 2.59207 0.00062 0.00000 0.00032 0.00045 2.59252 D66 0.54929 0.00103 0.00000 0.00671 0.00676 0.55605 D67 0.00073 0.00387 0.00000 0.02389 0.02285 0.02358 D68 2.12013 0.00531 0.00000 0.02881 0.02861 2.14874 D69 -2.12024 0.00021 0.00000 0.00705 0.00687 -2.11337 D70 -2.11938 -0.00193 0.00000 -0.00374 -0.00488 -2.12426 D71 0.00001 -0.00050 0.00000 0.00118 0.00089 0.00090 D72 2.04283 -0.00560 0.00000 -0.02059 -0.02086 2.02197 D73 2.12083 0.00382 0.00000 0.02168 0.02055 2.14138 D74 -2.04296 0.00525 0.00000 0.02660 0.02632 -2.01664 D75 -0.00014 0.00015 0.00000 0.00483 0.00457 0.00443 D76 -0.00076 0.00205 0.00000 0.01351 0.01381 0.01305 D77 2.11949 0.00256 0.00000 0.01151 0.01191 2.13139 D78 -2.12009 -0.00232 0.00000 -0.00968 -0.00927 -2.12935 D79 -2.12044 0.00020 0.00000 0.00689 0.00666 -2.11378 D80 -0.00019 0.00071 0.00000 0.00489 0.00476 0.00456 D81 2.04342 -0.00417 0.00000 -0.01630 -0.01642 2.02700 D82 2.12001 0.00397 0.00000 0.02406 0.02385 2.14386 D83 -2.04293 0.00449 0.00000 0.02206 0.02195 -2.02098 D84 0.00068 -0.00039 0.00000 0.00087 0.00077 0.00146 D85 0.00003 -0.00123 0.00000 -0.00926 -0.00858 -0.00856 D86 2.12115 0.00016 0.00000 -0.00591 -0.00578 2.11538 D87 -2.11935 -0.00423 0.00000 -0.02542 -0.02532 -2.14468 D88 -2.12056 -0.00155 0.00000 -0.00643 -0.00596 -2.12652 D89 0.00057 -0.00016 0.00000 -0.00308 -0.00315 -0.00258 D90 2.04325 -0.00455 0.00000 -0.02259 -0.02269 2.02055 D91 2.11869 0.00272 0.00000 0.01266 0.01312 2.13181 D92 -2.04337 0.00411 0.00000 0.01601 0.01593 -2.02744 D93 -0.00069 -0.00028 0.00000 -0.00350 -0.00361 -0.00431 D94 0.00073 -0.00552 0.00000 -0.03242 -0.03283 -0.03209 D95 2.12093 0.00171 0.00000 -0.00080 -0.00146 2.11947 D96 -2.12005 -0.00375 0.00000 -0.02467 -0.02540 -2.14544 D97 -2.11992 -0.00654 0.00000 -0.03374 -0.03360 -2.15353 D98 0.00027 0.00069 0.00000 -0.00212 -0.00224 -0.00197 D99 2.04248 -0.00476 0.00000 -0.02600 -0.02617 2.01631 D100 2.11979 -0.00104 0.00000 -0.01038 -0.01028 2.10951 D101 -2.04321 0.00619 0.00000 0.02125 0.02109 -2.02212 D102 -0.00100 0.00073 0.00000 -0.00263 -0.00285 -0.00384 Item Value Threshold Converged? Maximum Force 0.085185 0.000450 NO RMS Force 0.013209 0.000300 NO Maximum Displacement 0.628846 0.001800 NO RMS Displacement 0.139857 0.001200 NO Predicted change in Energy=-5.056299D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.860718 -5.102173 2.032128 2 6 0 7.259028 -4.898960 3.489209 3 8 0 6.398396 -6.419777 1.839140 4 8 0 2.930036 -1.679119 0.407858 5 6 0 3.717184 -2.515932 0.793184 6 7 0 5.057551 -2.189340 0.784476 7 6 0 6.116683 -2.972225 1.170649 8 8 0 7.257078 -2.581096 1.120010 9 7 0 5.769421 -4.214643 1.604714 10 6 0 4.457572 -4.632216 1.656101 11 6 0 3.424978 -3.866035 1.289408 12 1 0 7.715460 -4.923354 1.391759 13 1 0 7.598008 -3.879217 3.647732 14 1 0 8.064973 -5.582618 3.742339 15 1 0 5.297577 -1.249047 0.448963 16 1 0 4.283246 -5.631999 2.015215 17 6 0 1.981645 -4.427510 1.391161 18 1 0 6.407891 -5.097208 4.135235 19 1 0 7.134229 -7.045067 2.057441 20 6 0 1.864460 -5.976260 1.377787 21 6 0 0.462925 -6.627873 1.409898 22 6 0 -0.808177 -5.744918 1.423333 23 6 0 -0.679568 -4.201784 1.387089 24 6 0 0.711596 -3.523278 1.348627 25 1 0 2.004453 -4.393717 2.485855 26 1 0 2.366474 -6.349553 0.485170 27 1 0 2.403534 -6.341800 2.245596 28 1 0 0.390916 -7.266208 0.534870 29 1 0 0.431484 -7.255663 2.295054 30 1 0 -1.395606 -6.030372 0.555928 31 1 0 -1.369881 -6.003966 2.316478 32 1 0 -1.213938 -3.869640 0.502665 33 1 0 -1.191408 -3.813806 2.263109 34 1 0 0.731455 -2.924642 0.450698 35 1 0 0.774605 -2.855983 2.200125 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524150 0.000000 3 O 1.409632 2.403393 0.000000 4 O 5.459470 6.213073 6.045819 0.000000 5 C 4.255048 5.048964 4.850044 1.211748 0.000000 6 N 3.645908 4.416348 4.561445 2.220020 1.379609 7 C 2.415039 3.223814 3.523046 3.522598 2.471493 8 O 2.710146 3.314454 3.998744 4.477055 3.555546 9 N 1.470143 2.497707 2.305033 3.990421 2.784938 10 C 2.477371 3.358511 2.644934 3.551374 2.402386 11 C 3.726121 4.539383 3.957906 2.409295 1.467788 12 H 1.082882 2.146677 2.043059 5.864589 4.705336 13 H 2.156246 1.086238 3.341334 6.093208 5.006774 14 H 2.146131 1.086743 2.664672 7.261105 6.083202 15 H 4.449315 5.139286 5.466338 2.406638 2.054538 16 H 2.631418 3.400777 2.263948 4.476609 3.394652 17 C 4.967028 5.698671 4.865954 3.069199 2.650247 18 H 2.151311 1.086778 2.649779 6.137765 5.007215 19 H 1.962214 2.582888 0.989996 7.013541 5.812711 20 C 5.114175 5.892372 4.578879 4.532288 3.968403 21 C 6.606563 7.314348 5.954609 5.619687 5.280019 22 C 7.719826 8.370382 7.250037 5.615706 5.594850 23 C 7.621199 8.241740 7.431111 4.511316 4.746183 24 C 6.385279 7.024490 6.400782 3.034377 3.218202 25 H 4.928599 5.373319 4.881588 3.541726 3.053632 26 H 4.913987 5.921618 4.253771 4.704947 4.076266 27 H 4.631277 5.215763 4.016243 5.039353 4.297959 28 H 6.984494 7.842381 6.205432 6.138307 5.804818 29 H 6.785403 7.320889 6.042400 6.395476 5.959572 30 H 8.438460 9.207982 7.908524 6.137305 6.208721 31 H 8.284735 8.778064 7.794029 6.390338 6.353349 32 H 8.310142 9.042682 8.138611 4.688271 5.121806 33 H 8.157816 8.607598 8.035917 4.998514 5.285776 34 H 6.694059 7.465903 6.801321 2.527236 3.032973 35 H 6.489558 6.919771 6.667680 3.040249 3.279313 6 7 8 9 10 6 N 0.000000 7 C 1.372516 0.000000 8 O 2.259198 1.206668 0.000000 9 N 2.298130 1.361104 2.261977 0.000000 10 C 2.662207 2.396640 3.511655 1.377663 0.000000 11 C 2.394067 2.838710 4.045338 2.391100 1.337067 12 H 3.861102 2.532170 2.402111 2.081992 3.281536 13 H 4.184238 3.025376 2.861946 2.762275 3.794198 14 H 5.413675 4.150129 4.066748 3.422039 4.274224 15 H 1.026807 2.039880 2.462580 3.217633 3.688987 16 H 3.737133 3.339038 4.353513 2.094308 1.076530 17 C 3.852100 4.389194 5.595799 3.799759 2.498462 18 H 4.637532 3.659115 4.017901 2.755014 3.188427 19 H 5.432413 4.290669 4.562993 3.174738 3.625937 20 C 4.988849 5.210425 6.377611 4.289932 2.933964 21 C 6.418902 6.736911 7.913340 5.832712 4.472188 22 C 6.888907 7.463603 8.668917 6.755697 5.387059 23 C 6.109632 6.909970 8.104832 6.452672 5.162155 24 C 4.580937 5.436019 6.616896 5.111278 3.918752 25 H 4.132237 4.545420 5.721993 3.870848 2.600609 26 H 4.963754 5.093161 6.206634 4.170284 2.948393 27 H 5.140195 5.128062 6.242334 4.032954 2.736650 28 H 6.900316 7.185187 8.332877 6.275741 4.973204 29 H 7.024953 7.206498 8.355899 6.182066 4.847692 30 H 7.513255 8.134165 9.331915 7.465550 6.117591 31 H 7.629566 8.158003 9.357991 7.394452 6.023039 32 H 6.498799 7.415494 8.590667 7.078195 5.837633 33 H 6.623800 7.437063 8.614126 7.003377 5.740141 34 H 4.400816 5.433349 6.568848 5.327003 4.272325 35 H 4.559836 5.441611 6.577588 5.210437 4.124949 11 12 13 14 15 11 C 0.000000 12 H 4.420027 0.000000 13 H 4.793333 2.488661 0.000000 14 H 5.522054 2.466174 1.768779 0.000000 15 H 3.325899 4.498395 4.737289 6.106115 0.000000 16 H 2.093334 3.559631 4.089621 4.157747 4.763642 17 C 1.552037 5.755215 6.077522 6.623383 4.688900 18 H 4.302591 3.044113 1.771310 1.770850 5.443322 19 H 4.945165 2.298397 3.573055 2.417421 6.289224 20 C 2.626038 5.944999 6.513356 6.647738 5.915704 21 C 4.051669 7.450166 7.966958 8.020223 7.295823 22 C 4.633330 8.563198 8.893410 9.172619 7.644769 23 C 4.119413 8.425982 8.586781 9.160835 6.732385 24 C 2.735586 7.142562 7.268786 8.002680 5.197379 25 H 1.930758 5.838936 5.736073 6.302551 4.988242 26 H 2.816929 5.609599 6.593429 6.608346 5.882843 27 H 2.843775 5.563954 5.917166 5.904955 6.126950 28 H 4.619094 7.737711 8.550075 8.486076 7.764595 29 H 4.632700 7.701423 8.036740 7.947570 7.947727 30 H 5.334827 9.216053 9.750478 9.992811 8.226252 31 H 5.349420 9.195991 9.311811 9.551287 8.399516 32 H 4.705159 9.035206 9.356384 9.976371 7.019275 33 H 4.718245 9.017907 8.898049 9.539256 7.209441 34 H 2.974008 7.325079 7.634252 8.466418 4.863856 35 H 2.978940 7.287177 7.049922 7.934887 5.109412 16 17 18 19 20 16 H 0.000000 17 C 2.671629 0.000000 18 H 3.048705 5.250723 0.000000 19 H 3.182240 5.817616 2.939209 0.000000 20 C 2.524947 1.553234 5.386930 5.419847 0.000000 21 C 3.994123 2.673659 6.716622 6.715628 1.545939 22 C 5.126955 3.085402 7.735993 8.073060 2.683017 23 C 5.202843 2.670771 7.654160 8.342005 3.101762 24 C 4.200919 1.559637 6.533775 7.359051 2.710547 25 H 2.635857 1.095453 4.754537 5.790320 1.936970 26 H 2.555374 2.159435 5.587880 5.068261 1.090014 27 H 2.022427 2.138354 4.599415 4.786383 1.085040 28 H 4.473510 3.364796 7.339699 6.916602 2.132090 29 H 4.189351 3.349398 6.615333 6.710261 2.128772 30 H 5.876868 3.830484 8.635786 8.720220 3.362501 31 H 5.673355 3.817610 8.038894 8.571515 3.367917 32 H 5.967641 3.363390 8.531985 9.066011 3.831477 33 H 5.774003 3.347415 7.931035 8.933061 3.846859 34 H 4.732094 2.169346 7.107587 7.781712 3.384608 35 H 4.477836 2.140342 6.364091 7.616666 3.405899 21 22 23 24 25 21 C 0.000000 22 C 1.547737 0.000000 23 C 2.681737 1.548908 0.000000 24 C 3.115140 2.692764 1.548285 0.000000 25 H 2.919836 3.296299 2.906560 1.929360 0.000000 26 H 2.134498 3.365136 3.834675 3.387035 2.821187 27 H 2.132180 3.368602 3.849964 3.407532 2.003003 28 H 1.085510 2.131083 3.356025 3.843769 3.828975 29 H 1.085638 2.139862 3.374169 3.860684 3.271295 30 H 2.130824 1.085793 2.132434 3.369599 4.238356 31 H 2.137832 1.086428 2.141998 3.379807 3.742688 32 H 3.353027 2.128131 1.085393 2.131501 3.816509 33 H 3.373983 2.140394 1.086241 2.131222 3.255677 34 H 3.834853 3.357148 2.121062 1.079369 2.814351 35 H 3.866362 3.384458 2.141688 1.083653 1.989671 26 27 28 29 30 26 H 0.000000 27 H 1.760833 0.000000 28 H 2.178429 2.798525 0.000000 29 H 2.800161 2.174068 1.760683 0.000000 30 H 3.776258 4.169584 2.172417 2.804310 0.000000 31 H 4.175340 3.789171 2.804958 2.193655 1.760936 32 H 4.355412 4.715452 3.756763 4.169559 2.169010 33 H 4.716948 4.394846 4.172486 3.805415 2.805233 34 H 3.795325 4.206481 4.355714 4.716925 3.765770 35 H 4.204777 3.847909 4.729733 4.414061 4.182099 31 32 33 34 35 31 H 0.000000 32 H 2.805278 0.000000 33 H 2.198068 1.761474 0.000000 34 H 4.168811 2.163394 2.787983 0.000000 35 H 3.810795 2.804136 2.187830 1.751306 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.075845 -1.272579 -0.099358 2 6 0 3.613854 -1.571726 1.294948 3 8 0 2.428141 -2.411413 -0.619551 4 8 0 -0.482064 2.867889 -0.159544 5 6 0 0.215126 1.877089 -0.135561 6 7 0 1.581939 2.051562 -0.204128 7 6 0 2.555046 1.083686 -0.195249 8 8 0 3.729539 1.352585 -0.260887 9 7 0 2.081575 -0.189724 -0.112435 10 6 0 0.734258 -0.466330 -0.033816 11 6 0 -0.213289 0.477016 -0.032316 12 1 0 3.892342 -0.992857 -0.753363 13 1 0 4.097276 -0.691249 1.708439 14 1 0 4.339346 -2.378765 1.236980 15 1 0 1.917198 3.019805 -0.270763 16 1 0 0.457880 -1.504832 0.029786 17 6 0 -1.705588 0.062218 0.066696 18 1 0 2.798788 -1.871936 1.948116 19 1 0 3.089340 -3.145329 -0.684943 20 6 0 -2.028660 -1.385979 -0.392527 21 6 0 -3.497289 -1.868738 -0.391204 22 6 0 -4.634234 -0.908152 0.033203 23 6 0 -4.304626 0.548912 0.442400 24 6 0 -2.843172 1.060121 0.444269 25 1 0 -1.590286 -0.246671 1.111354 26 1 0 -1.654454 -1.514212 -1.408233 27 1 0 -1.474858 -2.055041 0.257835 28 1 0 -3.723983 -2.194328 -1.401616 29 1 0 -3.540570 -2.732801 0.264641 30 1 0 -5.322458 -0.849774 -0.804584 31 1 0 -5.151565 -1.371846 0.868477 32 1 0 -4.859568 1.191055 -0.234186 33 1 0 -4.687922 0.697166 1.447897 34 1 0 -2.816245 1.901753 -0.230984 35 1 0 -2.623409 1.421289 1.442049 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7960390 0.2716314 0.2124358 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1259.1466701038 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.72D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999886 -0.003629 0.002569 0.014426 Ang= -1.73 deg. 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) = -798.342369215 A.U. after 14 cycles NFock= 14 Conv=0.30D-08 -V/T= 2.0017 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 0.003187478 -0.012619172 0.002078604 2 6 -0.004665762 0.006756396 -0.002742233 3 8 0.030792025 -0.019510437 0.007364881 4 8 0.010264848 -0.021146568 0.008409253 5 6 -0.015829289 0.021834249 -0.010126723 6 7 0.016438933 0.014872019 -0.003116661 7 6 0.007529064 0.012898185 -0.006716293 8 8 -0.010603801 -0.003943781 0.001901150 9 7 0.012275048 -0.012851300 0.006346509 10 6 -0.011523009 0.003785756 -0.001516770 11 6 -0.015919250 -0.006454809 -0.030205456 12 1 -0.005505664 0.004390672 -0.000151140 13 1 0.000500069 -0.002917207 0.000376013 14 1 -0.000398681 0.001327577 0.000935199 15 1 -0.006462768 -0.024215950 0.008508238 16 1 0.009745381 0.007061369 -0.003547296 17 6 -0.002688213 -0.001818647 0.106706454 18 1 0.002046364 -0.000372572 -0.000108241 19 1 -0.031640668 0.026886887 -0.009580222 20 6 0.005207086 0.000429118 -0.036536870 21 6 -0.000828641 0.005910763 0.000811363 22 6 0.003645246 0.002154085 0.000455947 23 6 0.004772003 -0.006225014 0.002325319 24 6 0.007200121 0.005157008 -0.038808881 25 1 -0.002900590 0.000193380 0.002078396 26 1 0.002845386 -0.003216195 0.004269981 27 1 0.001533098 -0.001887398 -0.006649223 28 1 0.000919053 -0.003519748 0.005454279 29 1 -0.000949844 -0.003801838 -0.004867147 30 1 -0.003486621 -0.001650989 0.005665363 31 1 -0.003084114 -0.001363059 -0.005086555 32 1 -0.002104628 0.003268449 0.005535428 33 1 -0.003162623 0.001425666 -0.005185750 34 1 0.000217633 0.005858608 0.002631555 35 1 0.002635331 0.003304496 -0.006908471 ------------------------------------------------------------------- Cartesian Forces: Max 0.106706454 RMS 0.014915793 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.042611989 RMS 0.005957185 Search for a local minimum. Step number 2 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -4.03D-02 DEPred=-5.06D-02 R= 7.97D-01 TightC=F SS= 1.41D+00 RLast= 4.02D-01 DXNew= 5.0454D-01 1.2053D+00 Trust test= 7.97D-01 RLast= 4.02D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00233 0.00234 0.00237 0.00245 0.00442 Eigenvalues --- 0.00495 0.00954 0.01353 0.01457 0.01462 Eigenvalues --- 0.01638 0.01677 0.01844 0.01930 0.02007 Eigenvalues --- 0.02036 0.02041 0.02356 0.02560 0.02833 Eigenvalues --- 0.02884 0.02941 0.04650 0.04658 0.04846 Eigenvalues --- 0.04870 0.05000 0.05017 0.05181 0.05454 Eigenvalues --- 0.05744 0.05828 0.06000 0.08150 0.08260 Eigenvalues --- 0.09200 0.09297 0.09407 0.09452 0.09533 Eigenvalues --- 0.10108 0.11260 0.12925 0.12976 0.15754 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16033 Eigenvalues --- 0.17814 0.19611 0.21828 0.22124 0.22240 Eigenvalues --- 0.23184 0.23879 0.24791 0.24934 0.24999 Eigenvalues --- 0.24999 0.25000 0.27596 0.27674 0.28058 Eigenvalues --- 0.28357 0.28489 0.28519 0.28554 0.29930 Eigenvalues --- 0.31463 0.33756 0.34608 0.34780 0.34784 Eigenvalues --- 0.34788 0.34800 0.34800 0.34805 0.34816 Eigenvalues --- 0.34820 0.34835 0.34845 0.34850 0.34858 Eigenvalues --- 0.34884 0.34898 0.35327 0.37057 0.38354 Eigenvalues --- 0.42762 0.44591 0.47477 0.49547 0.50344 Eigenvalues --- 0.56075 0.60319 0.88186 0.96594 RFO step: Lambda=-7.06878716D-02 EMin= 2.32500593D-03 Quartic linear search produced a step of 0.71485. Iteration 1 RMS(Cart)= 0.11902878 RMS(Int)= 0.00780587 Iteration 2 RMS(Cart)= 0.01791091 RMS(Int)= 0.00397468 Iteration 3 RMS(Cart)= 0.00019894 RMS(Int)= 0.00397340 Iteration 4 RMS(Cart)= 0.00000229 RMS(Int)= 0.00397340 Iteration 5 RMS(Cart)= 0.00000003 RMS(Int)= 0.00397340 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88023 -0.00149 -0.00051 -0.00539 -0.00589 2.87433 R2 2.66382 -0.00631 -0.01101 -0.01178 -0.02278 2.64104 R3 2.77817 -0.00713 -0.02744 -0.01063 -0.03807 2.74010 R4 2.04635 -0.00353 -0.00934 -0.00697 -0.01631 2.03004 R5 2.05269 -0.00253 -0.00470 -0.00602 -0.01071 2.04198 R6 2.05365 -0.00091 -0.00436 -0.00080 -0.00516 2.04849 R7 2.05371 -0.00160 -0.00427 -0.00314 -0.00741 2.04631 R8 1.87082 -0.04261 -0.08118 -0.08387 -0.16505 1.70577 R9 2.28987 -0.02395 -0.03195 -0.01579 -0.04773 2.24214 R10 2.60708 0.00577 0.00152 0.01317 0.01462 2.62171 R11 2.77372 -0.00211 0.02973 -0.02213 0.00771 2.78142 R12 2.59368 -0.00702 -0.01738 -0.00855 -0.02609 2.56759 R13 1.94038 -0.02647 -0.05764 -0.05325 -0.11089 1.82949 R14 2.28027 -0.01138 -0.01368 -0.00707 -0.02075 2.25953 R15 2.57211 0.00299 -0.00871 0.01200 0.00320 2.57531 R16 2.60341 0.00447 0.00641 0.00759 0.01406 2.61746 R17 2.52669 0.00065 -0.00025 0.00186 0.00176 2.52845 R18 2.03435 -0.00932 -0.01793 -0.02187 -0.03980 1.99455 R19 2.93293 -0.00852 0.01594 -0.04136 -0.02542 2.90751 R20 2.93519 0.00252 0.01901 0.00226 0.02435 2.95954 R21 2.94729 -0.00189 0.02700 -0.01909 0.01074 2.95803 R22 2.07011 0.00202 0.00828 0.00247 0.01075 2.08085 R23 2.92140 0.00275 0.00771 0.00722 0.01493 2.93633 R24 2.05983 -0.00108 -0.00027 -0.00349 -0.00376 2.05607 R25 2.05043 -0.00392 -0.00624 -0.00987 -0.01611 2.03432 R26 2.92480 0.00449 0.00988 0.01131 0.01826 2.94306 R27 2.05132 -0.00239 -0.00622 -0.00477 -0.01099 2.04033 R28 2.05156 -0.00174 -0.00488 -0.00329 -0.00817 2.04339 R29 2.92701 0.00429 0.01161 0.00943 0.01813 2.94514 R30 2.05185 -0.00221 -0.00514 -0.00471 -0.00985 2.04200 R31 2.05305 -0.00226 -0.00522 -0.00487 -0.01009 2.04296 R32 2.92583 0.00295 0.01137 0.00580 0.01707 2.94291 R33 2.05109 -0.00247 -0.00638 -0.00498 -0.01135 2.03974 R34 2.05270 -0.00218 -0.00543 -0.00450 -0.00992 2.04277 R35 2.03971 0.00106 -0.01521 0.01142 -0.00379 2.03592 R36 2.04781 -0.00324 -0.00873 -0.00633 -0.01505 2.03276 A1 1.91901 0.00521 0.03125 0.02171 0.05177 1.97078 A2 1.97299 -0.00377 -0.01252 -0.01819 -0.03006 1.94292 A3 1.91457 0.00172 0.00846 0.01381 0.02014 1.93471 A4 1.85566 -0.00164 -0.02380 -0.00212 -0.02504 1.83062 A5 1.90950 0.00008 0.00530 0.01239 0.01511 1.92462 A6 1.89052 -0.00172 -0.00862 -0.02785 -0.03635 1.85417 A7 1.92435 0.00106 0.00942 0.00315 0.01246 1.93682 A8 1.90986 0.00125 -0.00107 0.00644 0.00537 1.91523 A9 1.91696 0.00111 0.00395 0.00628 0.01013 1.92709 A10 1.90197 -0.00166 -0.00617 -0.00985 -0.01602 1.88595 A11 1.90594 -0.00047 -0.00301 0.00140 -0.00180 1.90413 A12 1.90455 -0.00133 -0.00323 -0.00769 -0.01093 1.89363 A13 1.89274 0.00008 -0.01329 0.00576 -0.00753 1.88521 A14 2.05515 0.00779 -0.03655 0.05189 0.01532 2.07047 A15 2.23115 -0.00834 0.02723 -0.04862 -0.02141 2.20974 A16 1.99687 0.00055 0.00934 -0.00330 0.00606 2.00293 A17 2.23054 0.00376 0.01491 0.00946 0.02416 2.25470 A18 2.03304 -0.00217 -0.00248 -0.00843 -0.01080 2.02224 A19 2.01960 -0.00160 -0.01243 -0.00103 -0.01336 2.00625 A20 2.13246 0.00168 0.00695 0.00474 0.01182 2.14428 A21 1.99711 -0.00159 -0.01035 -0.00336 -0.01402 1.98309 A22 2.15361 -0.00009 0.00340 -0.00134 0.00219 2.15580 A23 2.04248 -0.00003 -0.00279 0.00136 -0.00139 2.04109 A24 2.10949 0.00317 0.00489 0.01170 0.01662 2.12611 A25 2.13118 -0.00314 -0.00210 -0.01308 -0.01525 2.11593 A26 2.15493 0.00509 0.03017 0.01104 0.04138 2.19631 A27 2.03547 -0.01094 -0.03546 -0.04837 -0.08391 1.95156 A28 2.09279 0.00585 0.00529 0.03733 0.04253 2.13531 A29 2.05563 -0.00468 -0.04203 -0.00090 -0.04267 2.01296 A30 2.14131 -0.00926 0.08984 -0.08267 0.00703 2.14834 A31 2.08623 0.01395 -0.04781 0.08360 0.03565 2.12188 A32 2.01564 0.00468 -0.05625 0.03827 -0.04712 1.96852 A33 2.14809 -0.01935 0.03858 -0.11321 -0.09847 2.04962 A34 1.60580 0.00742 0.02488 0.11290 0.14894 1.75473 A35 2.11347 0.01268 0.01339 0.04100 0.02679 2.14026 A36 1.61174 0.00535 0.02918 0.09260 0.11818 1.72992 A37 1.59712 0.00422 0.01907 0.08346 0.10174 1.69886 A38 2.08117 -0.00786 -0.00941 -0.02958 -0.03319 2.04798 A39 1.88997 0.00545 0.01838 0.03827 0.05458 1.94454 A40 1.86664 0.00155 0.00183 -0.00180 -0.00114 1.86551 A41 1.86523 0.00210 0.00192 0.01660 0.01687 1.88210 A42 1.86691 0.00279 0.00293 0.00592 0.00695 1.87386 A43 1.88679 -0.00417 -0.01782 -0.03267 -0.04957 1.83722 A44 2.09934 -0.00012 0.00345 -0.00184 0.00008 2.09942 A45 1.86634 0.00086 0.00199 0.00694 0.00890 1.87524 A46 1.86182 0.00015 -0.00132 0.00642 0.00561 1.86743 A47 1.86292 -0.00006 -0.00005 -0.00130 -0.00034 1.86258 A48 1.87447 0.00186 0.00743 0.01920 0.02633 1.90080 A49 1.89153 -0.00319 -0.01377 -0.03476 -0.04858 1.84295 A50 2.09435 0.00179 0.00039 0.00630 0.00151 2.09586 A51 1.86231 -0.00053 -0.00138 -0.00693 -0.00643 1.85588 A52 1.87101 0.00087 0.00602 0.01905 0.02540 1.89640 A53 1.86309 -0.00063 -0.00033 -0.00780 -0.00627 1.85681 A54 1.87519 0.00089 0.00805 0.01823 0.02667 1.90186 A55 1.89056 -0.00298 -0.01508 -0.03492 -0.05032 1.84024 A56 2.10806 0.00125 0.00987 0.00115 0.00925 2.11731 A57 1.85778 -0.00036 -0.00408 -0.00399 -0.00640 1.85138 A58 1.87323 0.00155 0.00740 0.02217 0.02847 1.90170 A59 1.86296 0.00014 -0.00107 0.00270 0.00161 1.86456 A60 1.86178 -0.00014 -0.00126 0.00724 0.00613 1.86791 A61 1.89216 -0.00300 -0.01349 -0.03520 -0.04872 1.84344 A62 2.06796 -0.00836 -0.01914 -0.02776 -0.04158 2.02638 A63 1.90631 0.00543 0.03028 0.03418 0.06222 1.96853 A64 1.86318 -0.00043 -0.00041 -0.01957 -0.01988 1.84330 A65 1.85485 0.00288 -0.00566 0.02290 0.01722 1.87207 A66 1.87819 0.00502 0.01030 0.02381 0.03074 1.90893 A67 1.88713 -0.00462 -0.01674 -0.03662 -0.05236 1.83477 D1 -3.12247 0.00135 0.01349 0.00824 0.02244 -3.10003 D2 1.06900 0.00196 0.01594 0.01438 0.03108 1.10008 D3 -1.02135 0.00215 0.01813 0.01599 0.03492 -0.98642 D4 -1.05180 0.00041 -0.00290 0.00863 0.00556 -1.04624 D5 3.13967 0.00101 -0.00045 0.01478 0.01421 -3.12931 D6 1.04932 0.00120 0.00174 0.01638 0.01805 1.06737 D7 1.06008 -0.00310 -0.01634 -0.02940 -0.04642 1.01366 D8 -1.03164 -0.00249 -0.01389 -0.02326 -0.03778 -1.06942 D9 -3.12199 -0.00231 -0.01170 -0.02165 -0.03393 3.12727 D10 -1.06914 -0.00277 -0.01560 -0.01823 -0.03457 -1.10371 D11 3.07256 -0.00021 -0.00450 -0.00748 -0.01174 3.06082 D12 1.03457 0.00265 0.01611 0.02012 0.03674 1.07130 D13 1.49586 -0.00140 -0.00605 -0.00688 -0.01285 1.48302 D14 -1.63768 -0.00123 -0.00619 -0.00396 -0.01004 -1.64772 D15 -2.68025 0.00172 0.00909 0.00779 0.01691 -2.66334 D16 0.46940 0.00189 0.00895 0.01071 0.01971 0.48911 D17 -0.62959 0.00009 -0.00225 0.00714 0.00474 -0.62485 D18 2.52005 0.00026 -0.00240 0.01007 0.00754 2.52759 D19 -3.13981 -0.00000 0.00427 0.00079 0.00532 -3.13449 D20 0.00078 0.00001 0.00344 0.00067 0.00420 0.00498 D21 0.00797 0.00039 0.00213 0.00584 0.00829 0.01626 D22 -3.13463 0.00040 0.00130 0.00572 0.00717 -3.12745 D23 3.13282 -0.00030 -0.00734 -0.00514 -0.01231 3.12050 D24 -0.00110 -0.00058 -0.00631 -0.00896 -0.01512 -0.01621 D25 -0.01571 -0.00066 -0.00534 -0.01034 -0.01539 -0.03111 D26 3.13356 -0.00094 -0.00432 -0.01416 -0.01820 3.11537 D27 3.14117 0.00059 0.00303 0.00909 0.01201 -3.13000 D28 0.00404 0.00002 0.00091 -0.00005 0.00091 0.00495 D29 0.00057 0.00058 0.00386 0.00921 0.01312 0.01369 D30 -3.13655 0.00001 0.00173 0.00008 0.00201 -3.13454 D31 3.14107 0.00006 -0.00068 0.00164 0.00068 -3.14144 D32 -0.00868 -0.00007 -0.00050 -0.00120 -0.00195 -0.01063 D33 0.00400 -0.00052 -0.00285 -0.00764 -0.01054 -0.00654 D34 3.13743 -0.00066 -0.00267 -0.01048 -0.01316 3.12427 D35 3.13349 -0.00047 -0.00313 -0.00714 -0.01049 3.12299 D36 -0.00701 -0.00059 -0.00253 -0.00853 -0.01112 -0.01813 D37 0.00036 -0.00031 -0.00328 -0.00414 -0.00765 -0.00728 D38 -3.14013 -0.00044 -0.00268 -0.00554 -0.00827 3.13478 D39 0.01246 0.00069 0.00621 0.01013 0.01636 0.02882 D40 -3.13656 0.00086 0.00573 0.01308 0.01899 -3.11757 D41 -3.13027 0.00081 0.00559 0.01152 0.01697 -3.11330 D42 0.00389 0.00097 0.00510 0.01447 0.01960 0.02350 D43 2.73200 -0.00906 -0.04665 -0.15626 -0.19169 2.54031 D44 -0.29322 0.00927 0.03656 0.16881 0.19310 -0.10012 D45 -1.91828 0.00074 -0.00244 0.00315 0.00196 -1.91632 D46 -0.40178 -0.00926 -0.04564 -0.15977 -0.19433 -0.59610 D47 2.85619 0.00907 0.03757 0.16530 0.19046 3.04665 D48 1.23113 0.00054 -0.00143 -0.00036 -0.00067 1.23045 D49 -3.09341 0.00983 0.03444 0.15297 0.18981 -2.90360 D50 -0.95777 0.01158 0.04614 0.18698 0.23533 -0.72244 D51 1.07184 0.01027 0.03554 0.16717 0.20402 1.27585 D52 -0.06568 -0.01042 -0.04697 -0.17629 -0.22723 -0.29291 D53 2.06996 -0.00866 -0.03527 -0.14228 -0.18171 1.88825 D54 -2.18362 -0.00998 -0.04587 -0.16208 -0.21302 -2.39664 D55 1.56062 -0.00129 -0.00706 -0.01943 -0.02350 1.53712 D56 -2.58693 0.00046 0.00464 0.01459 0.02202 -2.56491 D57 -0.55732 -0.00085 -0.00596 -0.00522 -0.00930 -0.56662 D58 3.08850 -0.00929 -0.03743 -0.16165 -0.19632 2.89217 D59 0.96276 -0.01160 -0.04181 -0.20130 -0.24093 0.72184 D60 -1.07370 -0.00871 -0.03729 -0.16513 -0.19910 -1.27280 D61 0.06961 0.01071 0.05030 0.18207 0.23480 0.30440 D62 -2.05613 0.00840 0.04592 0.14242 0.19019 -1.86594 D63 2.19059 0.01129 0.05044 0.17859 0.23202 2.42261 D64 -1.56493 0.00108 0.00470 0.02053 0.02292 -1.54201 D65 2.59252 -0.00123 0.00032 -0.01912 -0.02169 2.57083 D66 0.55605 0.00166 0.00484 0.01705 0.02015 0.57620 D67 0.02358 0.00365 0.01633 0.06442 0.07940 0.10298 D68 2.14874 0.00424 0.02045 0.06740 0.08683 2.23558 D69 -2.11337 0.00106 0.00491 0.03386 0.03792 -2.07545 D70 -2.12426 0.00015 -0.00349 0.01961 0.01527 -2.10899 D71 0.00090 0.00074 0.00063 0.02260 0.02270 0.02360 D72 2.02197 -0.00244 -0.01491 -0.01095 -0.02621 1.99576 D73 2.14138 0.00259 0.01469 0.04634 0.06095 2.20233 D74 -2.01664 0.00318 0.01881 0.04933 0.06838 -1.94826 D75 0.00443 0.00000 0.00327 0.01578 0.01946 0.02390 D76 0.01305 0.00179 0.00987 0.03496 0.04383 0.05688 D77 2.13139 0.00174 0.00851 0.02289 0.03094 2.16233 D78 -2.12935 -0.00153 -0.00663 -0.01156 -0.01820 -2.14755 D79 -2.11378 0.00075 0.00476 0.02796 0.03193 -2.08185 D80 0.00456 0.00070 0.00340 0.01589 0.01904 0.02361 D81 2.02700 -0.00257 -0.01174 -0.01857 -0.03010 1.99691 D82 2.14386 0.00355 0.01705 0.05941 0.07564 2.21950 D83 -2.02098 0.00351 0.01569 0.04734 0.06275 -1.95823 D84 0.00146 0.00023 0.00055 0.01289 0.01361 0.01507 D85 -0.00856 -0.00138 -0.00614 -0.02787 -0.03317 -0.04173 D86 2.11538 -0.00061 -0.00413 -0.02688 -0.03003 2.08535 D87 -2.14468 -0.00351 -0.01810 -0.05876 -0.07596 -2.22063 D88 -2.12652 -0.00138 -0.00426 -0.01622 -0.02021 -2.14672 D89 -0.00258 -0.00062 -0.00225 -0.01524 -0.01707 -0.01965 D90 2.02055 -0.00351 -0.01622 -0.04712 -0.06299 1.95756 D91 2.13181 0.00194 0.00938 0.01913 0.02835 2.16016 D92 -2.02744 0.00271 0.01139 0.02011 0.03149 -1.99595 D93 -0.00431 -0.00019 -0.00258 -0.01177 -0.01444 -0.01874 D94 -0.03209 -0.00441 -0.02347 -0.07772 -0.09914 -0.13123 D95 2.11947 -0.00063 -0.00104 -0.03230 -0.03150 2.08797 D96 -2.14544 -0.00214 -0.01816 -0.05188 -0.06867 -2.21411 D97 -2.15353 -0.00494 -0.02402 -0.07547 -0.09848 -2.25200 D98 -0.00197 -0.00116 -0.00160 -0.03004 -0.03083 -0.03280 D99 2.01631 -0.00267 -0.01871 -0.04963 -0.06801 1.94830 D100 2.10951 -0.00149 -0.00735 -0.03980 -0.04633 2.06318 D101 -2.02212 0.00230 0.01508 0.00563 0.02131 -2.00081 D102 -0.00384 0.00078 -0.00203 -0.01396 -0.01586 -0.01970 Item Value Threshold Converged? Maximum Force 0.042612 0.000450 NO RMS Force 0.005957 0.000300 NO Maximum Displacement 0.570846 0.001800 NO RMS Displacement 0.124673 0.001200 NO Predicted change in Energy=-4.580735D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.886721 -5.104543 2.005365 2 6 0 7.352554 -4.800885 3.421108 3 8 0 6.406128 -6.408645 1.858515 4 8 0 2.848958 -1.812410 0.524522 5 6 0 3.653070 -2.606763 0.885302 6 7 0 4.998474 -2.283727 0.783971 7 6 0 6.086819 -3.023905 1.121218 8 8 0 7.206980 -2.625137 0.995133 9 7 0 5.777486 -4.253298 1.621338 10 6 0 4.461182 -4.659486 1.765785 11 6 0 3.379404 -3.934792 1.457874 12 1 0 7.670685 -4.914670 1.295883 13 1 0 7.678268 -3.774351 3.509259 14 1 0 8.188597 -5.441797 3.676742 15 1 0 5.196484 -1.408504 0.420596 16 1 0 4.393107 -5.636569 2.159093 17 6 0 1.956658 -4.473360 1.688062 18 1 0 6.552815 -4.980852 4.128647 19 1 0 7.087740 -6.977402 2.021936 20 6 0 1.850124 -6.019935 1.465603 21 6 0 0.424837 -6.627514 1.348047 22 6 0 -0.824639 -5.698485 1.313365 23 6 0 -0.647307 -4.150118 1.319988 24 6 0 0.763350 -3.497431 1.416391 25 1 0 1.908560 -4.451565 2.787934 26 1 0 2.420099 -6.336155 0.594434 27 1 0 2.331734 -6.490561 2.305516 28 1 0 0.398158 -7.217789 0.444385 29 1 0 0.314219 -7.333388 2.159682 30 1 0 -1.358085 -5.940371 0.405299 31 1 0 -1.487217 -5.979762 2.119979 32 1 0 -1.094483 -3.794132 0.404357 33 1 0 -1.244847 -3.731583 2.117680 34 1 0 0.902895 -2.904942 0.527463 35 1 0 0.775472 -2.792172 2.228528 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521031 0.000000 3 O 1.397576 2.433580 0.000000 4 O 5.416140 6.132175 5.963084 0.000000 5 C 4.236738 4.993062 4.793827 1.186488 0.000000 6 N 3.607531 4.339616 4.488996 2.215824 1.387348 7 C 2.398044 3.170053 3.478797 3.508207 2.480484 8 O 2.696402 3.261966 3.962540 4.458067 3.555655 9 N 1.449999 2.453541 2.257646 3.967016 2.786749 10 C 2.477644 3.334685 2.617436 3.499405 2.375282 11 C 3.737559 4.515566 3.929571 2.378449 1.471866 12 H 1.074251 2.151914 2.036571 5.785159 4.651477 13 H 2.158160 1.080570 3.358988 6.006672 4.944758 14 H 2.145256 1.084014 2.723590 7.184754 6.033289 15 H 4.362235 5.015970 5.341560 2.384287 2.008459 16 H 2.554369 3.324061 2.176856 4.436261 3.368965 17 C 4.980421 5.676831 4.855117 3.038203 2.646964 18 H 2.152933 1.082859 2.685816 6.061955 4.956219 19 H 1.883689 2.600968 0.902655 6.847384 5.673745 20 C 5.147485 5.965469 4.589406 4.425671 3.903473 21 C 6.671391 7.458379 6.007022 5.453419 5.177070 22 C 7.765096 8.492041 7.285980 5.405475 5.458191 23 C 7.625107 8.296745 7.425759 4.280363 4.589568 24 C 6.358095 7.009671 6.364871 2.825683 3.070151 25 H 5.081426 5.491813 4.992204 3.601738 3.172793 26 H 4.843379 5.888655 4.182294 4.544566 3.938678 27 H 4.770645 5.413704 4.099659 5.032351 4.341293 28 H 7.000280 7.941406 6.224964 5.935568 5.661309 29 H 6.941855 7.585705 6.169052 6.291251 5.925617 30 H 8.440121 9.288098 7.912908 5.895208 6.037799 31 H 8.420332 9.012450 7.909311 6.222115 6.270893 32 H 8.245000 9.025894 8.075234 4.415018 4.917357 33 H 8.247426 8.761143 8.109947 4.793809 5.174317 34 H 6.544357 7.318871 6.658318 2.231769 2.789340 35 H 6.537908 6.979627 6.702244 2.857081 3.181069 6 7 8 9 10 6 N 0.000000 7 C 1.358710 0.000000 8 O 2.244694 1.195690 0.000000 9 N 2.277554 1.362796 2.255326 0.000000 10 C 2.626189 2.394428 3.503125 1.385103 0.000000 11 C 2.408640 2.876308 4.071814 2.424658 1.337997 12 H 3.784788 2.472676 2.355298 2.031633 3.253742 13 H 4.102493 2.966247 2.804217 2.721509 3.764679 14 H 5.340264 4.098095 4.011007 3.383885 4.261150 15 H 0.968125 1.973091 2.419170 3.142006 3.594313 16 H 3.674096 3.282051 4.282687 2.029563 1.055471 17 C 3.855453 4.413668 5.609096 3.827741 2.512632 18 H 4.569170 3.618207 3.974447 2.723429 3.171959 19 H 5.284711 4.176514 4.473337 3.049260 3.512429 20 C 4.933151 5.200421 6.359395 4.309226 2.959485 21 C 6.332837 6.715318 7.882958 5.861948 4.509958 22 C 6.771224 7.413403 8.605443 6.765461 5.405932 23 C 5.970391 6.830543 8.007554 6.432684 5.153140 24 C 4.450765 5.352633 6.516036 5.074928 3.891839 25 H 4.273518 4.719534 5.884151 4.045843 2.757517 26 H 4.806882 4.969239 6.070128 4.082263 2.889516 27 H 5.208076 5.246040 6.358194 4.164931 2.859842 28 H 6.754494 7.099833 8.231393 6.253846 4.979877 29 H 7.023809 7.278252 8.428164 6.294763 4.949970 30 H 7.343043 8.027758 9.203207 7.432451 6.111911 31 H 7.583520 8.191498 9.386579 7.483664 6.103444 32 H 6.288843 7.257977 8.404157 6.993985 5.785130 33 H 6.546305 7.432837 8.597541 7.059157 5.791683 34 H 4.150358 5.219173 6.327598 5.174578 4.156112 35 H 4.492105 5.430493 6.550837 5.246305 4.157578 11 12 13 14 15 11 C 0.000000 12 H 4.404713 0.000000 13 H 4.765937 2.489863 0.000000 14 H 5.506613 2.492907 1.751817 0.000000 15 H 3.280222 4.379611 4.614794 5.985206 0.000000 16 H 2.101274 3.465370 4.010373 4.092303 4.641586 17 C 1.538586 5.744446 6.045014 6.612850 4.636409 18 H 4.277594 3.046073 1.762365 1.758543 5.324560 19 H 4.829845 2.263148 3.580557 2.511644 6.095389 20 C 2.585842 5.927001 6.571639 6.737924 5.792708 21 C 3.999035 7.445728 8.088488 8.191747 7.132100 22 C 4.561301 8.531424 8.990198 9.321474 7.446805 23 C 4.034821 8.353090 8.616804 9.235580 6.517304 24 C 2.652686 7.052259 7.229998 8.001503 5.000791 25 H 2.049267 5.970156 5.853927 6.419456 5.067046 26 H 2.726232 5.484643 6.535089 6.601218 5.658647 27 H 2.889302 5.657490 6.116553 6.105982 6.130826 28 H 4.548962 7.675875 8.616886 8.619352 7.534740 29 H 4.630156 7.791914 8.289590 8.239261 7.871797 30 H 5.251101 9.130382 9.797034 10.103962 7.968716 31 H 5.320177 9.256388 9.528906 9.815004 8.273825 32 H 4.598406 8.881361 9.306017 9.979924 6.728131 33 H 4.675503 9.031154 9.031074 9.713155 7.054611 34 H 2.838899 7.101581 7.453365 8.332770 4.548149 35 H 2.946175 7.274530 7.088973 8.004516 4.972777 16 17 18 19 20 16 H 0.000000 17 C 2.740658 0.000000 18 H 2.995571 5.228638 0.000000 19 H 3.012921 5.719239 2.951371 0.000000 20 C 2.663580 1.566120 5.503344 5.353398 0.000000 21 C 4.169764 2.665045 6.927867 6.706029 1.553839 22 C 5.286205 3.062179 7.928911 8.046331 2.698308 23 C 5.321598 2.649641 7.773059 8.265424 3.123233 24 C 4.278160 1.565320 6.563137 7.243949 2.747094 25 H 2.823588 1.101139 4.862793 5.812961 2.052257 26 H 2.613492 2.209254 5.604181 4.922991 1.088026 27 H 2.236068 2.142669 4.839479 4.789262 1.076518 28 H 4.626024 3.392277 7.513819 6.877279 2.141482 29 H 4.417750 3.331634 6.952073 6.784268 2.136798 30 H 6.020323 3.845142 8.795813 8.661461 3.379819 31 H 5.890460 3.783659 8.347136 8.633354 3.401128 32 H 6.048744 3.379158 8.588352 8.927404 3.840723 33 H 5.951236 3.314278 8.149122 8.942959 3.903922 34 H 4.722878 2.217508 7.014236 7.554514 3.388293 35 H 4.602467 2.124547 6.463626 7.576514 3.486458 21 22 23 24 25 21 C 0.000000 22 C 1.557398 0.000000 23 C 2.699588 1.558503 0.000000 24 C 3.149076 2.716056 1.557320 0.000000 25 H 3.001577 3.346571 2.962802 2.025588 0.000000 26 H 2.152647 3.384052 3.835905 3.388036 2.936800 27 H 2.138167 3.402122 3.914540 3.494166 2.137595 28 H 1.079695 2.135098 3.357125 3.862541 3.927536 29 H 1.081316 2.164754 3.429698 3.933035 3.352838 30 H 2.130669 1.080582 2.132339 3.389801 4.308650 31 H 2.161345 1.081088 2.166341 3.423749 3.783233 32 H 3.350662 2.127362 1.079384 2.136302 3.889977 33 H 3.430248 2.166149 1.080989 2.139973 3.303269 34 H 3.841802 3.377262 2.140487 1.077362 2.917727 35 H 3.950702 3.441589 2.166509 1.075688 2.085763 26 27 28 29 30 26 H 0.000000 27 H 1.720305 0.000000 28 H 2.210891 2.780536 0.000000 29 H 2.806991 2.191344 1.721236 0.000000 30 H 3.803562 4.186680 2.172030 2.795524 0.000000 31 H 4.209682 3.857425 2.809798 2.253675 1.719986 32 H 4.341692 4.756479 3.735105 4.194274 2.162367 33 H 4.747199 4.520970 4.201549 3.924978 2.797109 34 H 3.752281 4.249672 4.343076 4.756239 3.786923 35 H 4.234959 4.013224 4.786609 4.565100 4.217510 31 32 33 34 35 31 H 0.000000 32 H 2.806168 0.000000 33 H 2.261208 1.721045 0.000000 34 H 4.207524 2.189825 2.797305 0.000000 35 H 3.910534 2.797901 2.230800 1.709554 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.122067 -1.218724 -0.115802 2 6 0 3.734660 -1.392465 1.265530 3 8 0 2.473814 -2.369622 -0.572334 4 8 0 -0.584524 2.730393 -0.130985 5 6 0 0.141823 1.792583 -0.104743 6 7 0 1.504207 2.002384 -0.261671 7 6 0 2.516465 1.096149 -0.274610 8 8 0 3.663426 1.406561 -0.408030 9 7 0 2.099085 -0.191105 -0.113415 10 6 0 0.758696 -0.495446 0.057592 11 6 0 -0.246610 0.386778 0.093305 12 1 0 3.863586 -0.902707 -0.825940 13 1 0 4.190707 -0.473445 1.604727 14 1 0 4.503046 -2.156356 1.231739 15 1 0 1.778788 2.923067 -0.380892 16 1 0 0.602465 -1.534096 0.161594 17 6 0 -1.701698 -0.058681 0.320309 18 1 0 2.978604 -1.696999 1.978425 19 1 0 3.090923 -3.023063 -0.655873 20 6 0 -2.016039 -1.453118 -0.319587 21 6 0 -3.510254 -1.861182 -0.442962 22 6 0 -4.634115 -0.849587 -0.069998 23 6 0 -4.266964 0.603638 0.356928 24 6 0 -2.783357 1.062218 0.474664 25 1 0 -1.657733 -0.358430 1.378952 26 1 0 -1.561729 -1.550201 -1.303446 27 1 0 -1.529980 -2.194263 0.291429 28 1 0 -3.682536 -2.152767 -1.468164 29 1 0 -3.641275 -2.761600 0.141269 30 1 0 -5.264944 -0.760749 -0.942821 31 1 0 -5.259021 -1.292680 0.692834 32 1 0 -4.739241 1.254919 -0.362696 33 1 0 -4.741837 0.822307 1.303088 34 1 0 -2.643971 1.874952 -0.218693 35 1 0 -2.618666 1.491535 1.447119 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8320193 0.2711789 0.2148687 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1266.1140545379 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.72D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999960 0.006531 -0.001589 -0.005858 Ang= 1.02 deg. 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) = -798.373749743 A.U. after 14 cycles NFock= 14 Conv=0.52D-08 -V/T= 2.0010 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 -0.006040502 -0.002105743 0.000757227 2 6 0.000792335 -0.004675085 -0.000395143 3 8 -0.035128481 0.036040294 -0.006128791 4 8 -0.009398485 0.016514371 -0.007354880 5 6 0.005496020 -0.011907378 0.007084637 6 7 -0.005783521 -0.024057853 0.009661389 7 6 -0.006510398 -0.003286407 0.001463543 8 8 0.008552977 0.003641430 -0.001212850 9 7 -0.008307271 0.006277501 -0.003648167 10 6 0.000639565 0.006127930 0.000048187 11 6 0.003015885 -0.000643809 -0.014699537 12 1 0.003951637 0.000599871 -0.000693246 13 1 0.000292425 0.001102575 -0.001803621 14 1 0.001642925 -0.000934491 0.001554359 15 1 0.005330157 0.030135503 -0.012665511 16 1 -0.003565415 -0.008913091 0.003487665 17 6 -0.001023512 -0.000796874 0.055341467 18 1 -0.001224709 -0.000652727 0.000525673 19 1 0.043411214 -0.041545195 0.010418364 20 6 -0.008084497 0.010923464 -0.022019967 21 6 0.000657869 0.005716779 0.001889026 22 6 0.008315962 0.003462020 -0.001410990 23 6 0.004933939 -0.002512187 0.003513186 24 6 0.001900667 -0.016524427 -0.025121670 25 1 0.000862629 -0.002059961 -0.005356067 26 1 -0.000563527 0.005109168 -0.000637822 27 1 0.003513682 -0.000938751 0.002954999 28 1 0.001342398 -0.002844033 -0.001461383 29 1 -0.003169100 -0.001298713 0.001409366 30 1 -0.003098354 -0.001320727 -0.000446102 31 1 -0.000109087 0.000186023 0.002780546 32 1 -0.001538352 0.003458459 -0.001232859 33 1 -0.003414591 -0.001680427 0.001889452 34 1 0.002774492 -0.004252655 -0.000475179 35 1 -0.000466971 0.003655146 0.001984698 ------------------------------------------------------------------- Cartesian Forces: Max 0.055341467 RMS 0.011737214 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.060844184 RMS 0.005980616 Search for a local minimum. Step number 3 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -3.14D-02 DEPred=-4.58D-02 R= 6.85D-01 TightC=F SS= 1.41D+00 RLast= 9.80D-01 DXNew= 8.4853D-01 2.9391D+00 Trust test= 6.85D-01 RLast= 9.80D-01 DXMaxT set to 8.49D-01 ITU= 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00233 0.00234 0.00240 0.00262 0.00442 Eigenvalues --- 0.00495 0.01329 0.01408 0.01452 0.01457 Eigenvalues --- 0.01617 0.01681 0.01848 0.01930 0.02007 Eigenvalues --- 0.02040 0.02224 0.02365 0.02583 0.02718 Eigenvalues --- 0.02865 0.02971 0.04588 0.04598 0.04778 Eigenvalues --- 0.04916 0.04980 0.05001 0.05089 0.05301 Eigenvalues --- 0.05613 0.05764 0.06102 0.08082 0.08338 Eigenvalues --- 0.08920 0.09109 0.09545 0.09564 0.09727 Eigenvalues --- 0.10119 0.11139 0.12923 0.13071 0.15754 Eigenvalues --- 0.16000 0.16000 0.16000 0.16003 0.16131 Eigenvalues --- 0.17780 0.19766 0.21414 0.21621 0.22046 Eigenvalues --- 0.22194 0.22889 0.23857 0.24978 0.24999 Eigenvalues --- 0.24999 0.25118 0.27390 0.27539 0.28193 Eigenvalues --- 0.28469 0.28494 0.28510 0.28828 0.29926 Eigenvalues --- 0.33494 0.34460 0.34750 0.34780 0.34784 Eigenvalues --- 0.34800 0.34800 0.34804 0.34811 0.34819 Eigenvalues --- 0.34832 0.34836 0.34848 0.34857 0.34860 Eigenvalues --- 0.34898 0.34987 0.36608 0.37772 0.42671 Eigenvalues --- 0.44378 0.47258 0.47828 0.50194 0.51513 Eigenvalues --- 0.56056 0.59650 0.88202 0.96643 RFO step: Lambda=-2.64345330D-02 EMin= 2.33128109D-03 Quartic linear search produced a step of -0.03289. Iteration 1 RMS(Cart)= 0.05627605 RMS(Int)= 0.00231025 Iteration 2 RMS(Cart)= 0.00537426 RMS(Int)= 0.00125579 Iteration 3 RMS(Cart)= 0.00001203 RMS(Int)= 0.00125577 Iteration 4 RMS(Cart)= 0.00000004 RMS(Int)= 0.00125577 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87433 -0.00068 0.00019 -0.00156 -0.00137 2.87296 R2 2.64104 0.00184 0.00075 0.00352 0.00427 2.64531 R3 2.74010 0.01415 0.00125 0.03027 0.03152 2.77162 R4 2.03004 0.00345 0.00054 0.00720 0.00773 2.03777 R5 2.04198 0.00099 0.00035 0.00213 0.00248 2.04446 R6 2.04849 0.00219 0.00017 0.00451 0.00468 2.05317 R7 2.04631 0.00136 0.00024 0.00285 0.00309 2.04940 R8 1.70577 0.06084 0.00543 0.11103 0.11646 1.82223 R9 2.24214 0.01966 0.00157 0.01829 0.01986 2.26200 R10 2.62171 0.00249 -0.00048 0.00374 0.00327 2.62497 R11 2.78142 0.00520 -0.00025 0.00857 0.00832 2.78975 R12 2.56759 0.00546 0.00086 0.00932 0.01018 2.57777 R13 1.82949 0.03309 0.00365 0.06438 0.06803 1.89752 R14 2.25953 0.00936 0.00068 0.00802 0.00870 2.26823 R15 2.57531 0.00543 -0.00011 0.00789 0.00777 2.58308 R16 2.61746 -0.00122 -0.00046 -0.00238 -0.00285 2.61461 R17 2.52845 -0.00112 -0.00006 -0.00179 -0.00185 2.52660 R18 1.99455 0.00978 0.00131 0.02021 0.02152 2.01607 R19 2.90751 0.00002 0.00084 -0.00021 0.00062 2.90813 R20 2.95954 -0.01075 -0.00080 -0.02473 -0.02554 2.93400 R21 2.95803 -0.00813 -0.00035 -0.01882 -0.01914 2.93888 R22 2.08085 -0.00543 -0.00035 -0.01112 -0.01147 2.06938 R23 2.93633 -0.00235 -0.00049 -0.00566 -0.00607 2.93026 R24 2.05607 -0.00127 0.00012 -0.00254 -0.00241 2.05366 R25 2.03432 0.00429 0.00053 0.00882 0.00935 2.04367 R26 2.94306 -0.00533 -0.00060 -0.01431 -0.01486 2.92820 R27 2.04033 0.00274 0.00036 0.00570 0.00606 2.04639 R28 2.04339 0.00223 0.00027 0.00461 0.00488 2.04827 R29 2.94514 -0.00564 -0.00060 -0.01520 -0.01586 2.92928 R30 2.04200 0.00220 0.00032 0.00457 0.00489 2.04690 R31 2.04296 0.00209 0.00033 0.00437 0.00470 2.04766 R32 2.94291 -0.00308 -0.00056 -0.00778 -0.00843 2.93447 R33 2.03974 0.00282 0.00037 0.00586 0.00624 2.04598 R34 2.04277 0.00263 0.00033 0.00545 0.00578 2.04855 R35 2.03592 -0.00159 0.00012 -0.00287 -0.00275 2.03317 R36 2.03276 0.00389 0.00050 0.00807 0.00857 2.04132 A1 1.97078 -0.00664 -0.00170 -0.02092 -0.02281 1.94797 A2 1.94292 0.00019 0.00099 0.00302 0.00413 1.94705 A3 1.93471 0.00041 -0.00066 -0.00755 -0.00828 1.92643 A4 1.83062 0.00745 0.00082 0.03347 0.03435 1.86497 A5 1.92462 0.00041 -0.00050 0.00048 -0.00025 1.92437 A6 1.85417 -0.00118 0.00120 -0.00557 -0.00441 1.84975 A7 1.93682 -0.00284 -0.00041 -0.01172 -0.01213 1.92469 A8 1.91523 0.00214 -0.00018 0.00897 0.00881 1.92404 A9 1.92709 -0.00052 -0.00033 -0.00154 -0.00189 1.92520 A10 1.88595 0.00029 0.00053 0.00015 0.00071 1.88665 A11 1.90413 0.00148 0.00006 0.00542 0.00546 1.90960 A12 1.89363 -0.00048 0.00036 -0.00105 -0.00069 1.89294 A13 1.88521 0.00704 0.00025 0.02821 0.02846 1.91367 A14 2.07047 -0.00435 -0.00050 -0.01163 -0.01214 2.05833 A15 2.20974 0.00763 0.00070 0.02024 0.02093 2.23068 A16 2.00293 -0.00328 -0.00020 -0.00859 -0.00878 1.99416 A17 2.25470 -0.00139 -0.00079 -0.00269 -0.00348 2.25122 A18 2.02224 -0.00065 0.00036 -0.00402 -0.00367 2.01856 A19 2.00625 0.00204 0.00044 0.00672 0.00715 2.01340 A20 2.14428 -0.00170 -0.00039 -0.00514 -0.00553 2.13875 A21 1.98309 0.00202 0.00046 0.00654 0.00700 1.99009 A22 2.15580 -0.00033 -0.00007 -0.00141 -0.00148 2.15432 A23 2.04109 0.00110 0.00005 0.00318 0.00322 2.04432 A24 2.12611 0.00046 -0.00055 0.00143 0.00088 2.12699 A25 2.11593 -0.00156 0.00050 -0.00468 -0.00420 2.11172 A26 2.19631 -0.00020 -0.00136 -0.00187 -0.00324 2.19307 A27 1.95156 0.00304 0.00276 0.01136 0.01412 1.96568 A28 2.13531 -0.00283 -0.00140 -0.00949 -0.01089 2.12443 A29 2.01296 0.00442 0.00140 0.01134 0.01275 2.02570 A30 2.14834 0.00793 -0.00023 0.02125 0.02100 2.16934 A31 2.12188 -0.01235 -0.00117 -0.03255 -0.03374 2.08814 A32 1.96852 -0.00216 0.00155 -0.04437 -0.05112 1.91741 A33 2.04962 0.00473 0.00324 -0.02219 -0.02965 2.01997 A34 1.75473 0.00124 -0.00490 0.06443 0.06083 1.81556 A35 2.14026 -0.00694 -0.00088 -0.05280 -0.06008 2.08018 A36 1.72992 0.00282 -0.00389 0.07239 0.07150 1.80143 A37 1.69886 0.00416 -0.00335 0.09044 0.08894 1.78781 A38 2.04798 0.00505 0.00109 0.01672 0.01674 2.06472 A39 1.94454 -0.00325 -0.00179 -0.01001 -0.01113 1.93341 A40 1.86551 -0.00348 0.00004 -0.02019 -0.02056 1.84495 A41 1.88210 0.00089 -0.00055 0.01661 0.01614 1.89824 A42 1.87386 -0.00093 -0.00023 -0.00499 -0.00454 1.86932 A43 1.83722 0.00144 0.00163 -0.00038 0.00095 1.83818 A44 2.09942 -0.00171 -0.00000 -0.00806 -0.00897 2.09045 A45 1.87524 0.00065 -0.00029 0.00280 0.00314 1.87838 A46 1.86743 0.00149 -0.00018 0.01086 0.01060 1.87803 A47 1.86258 0.00036 0.00001 0.00373 0.00335 1.86593 A48 1.90080 -0.00009 -0.00087 -0.00088 -0.00077 1.90003 A49 1.84295 -0.00064 0.00160 -0.00925 -0.00778 1.83517 A50 2.09586 -0.00119 -0.00005 -0.00869 -0.01011 2.08575 A51 1.85588 0.00003 0.00021 -0.00012 0.00006 1.85594 A52 1.89640 0.00090 -0.00084 0.00862 0.00863 1.90504 A53 1.85681 -0.00010 0.00021 -0.00107 -0.00086 1.85596 A54 1.90186 0.00073 -0.00088 0.00787 0.00780 1.90967 A55 1.84024 -0.00036 0.00165 -0.00756 -0.00608 1.83416 A56 2.11731 -0.00229 -0.00030 -0.01014 -0.01172 2.10559 A57 1.85138 0.00032 0.00021 0.00231 0.00203 1.85341 A58 1.90170 0.00021 -0.00094 0.00148 0.00183 1.90354 A59 1.86456 0.00062 -0.00005 0.00028 0.00100 1.86556 A60 1.86791 0.00202 -0.00020 0.01555 0.01539 1.88330 A61 1.84344 -0.00082 0.00160 -0.01072 -0.00929 1.83415 A62 2.02638 0.00535 0.00137 0.01665 0.01682 2.04321 A63 1.96853 -0.00254 -0.00205 -0.00503 -0.00615 1.96238 A64 1.84330 -0.00252 0.00065 -0.01389 -0.01378 1.82952 A65 1.87207 0.00006 -0.00057 0.01457 0.01371 1.88578 A66 1.90893 -0.00218 -0.00101 -0.01455 -0.01450 1.89443 A67 1.83477 0.00142 0.00172 -0.00069 0.00089 1.83566 D1 -3.10003 -0.00306 -0.00074 -0.01803 -0.01869 -3.11873 D2 1.10008 -0.00300 -0.00102 -0.01662 -0.01755 1.08253 D3 -0.98642 -0.00343 -0.00115 -0.02003 -0.02109 -1.00751 D4 -1.04624 0.00215 -0.00018 0.01274 0.01251 -1.03373 D5 -3.12931 0.00221 -0.00047 0.01415 0.01366 -3.11565 D6 1.06737 0.00177 -0.00059 0.01074 0.01012 1.07749 D7 1.01366 0.00106 0.00153 0.00284 0.00430 1.01796 D8 -1.06942 0.00112 0.00124 0.00425 0.00545 -1.06397 D9 3.12727 0.00068 0.00112 0.00084 0.00191 3.12918 D10 -1.10371 0.00186 0.00114 0.01310 0.01413 -1.08958 D11 3.06082 0.00051 0.00039 -0.00069 -0.00014 3.06068 D12 1.07130 -0.00220 -0.00121 -0.01195 -0.01321 1.05809 D13 1.48302 0.00135 0.00042 0.00703 0.00736 1.49038 D14 -1.64772 0.00176 0.00033 0.01490 0.01513 -1.63259 D15 -2.66334 -0.00188 -0.00056 0.00450 0.00402 -2.65931 D16 0.48911 -0.00147 -0.00065 0.01237 0.01180 0.50091 D17 -0.62485 0.00149 -0.00016 0.01798 0.01784 -0.60701 D18 2.52759 0.00190 -0.00025 0.02585 0.02562 2.55321 D19 -3.13449 -0.00005 -0.00017 0.00059 0.00033 -3.13416 D20 0.00498 0.00001 -0.00014 0.00135 0.00116 0.00614 D21 0.01626 -0.00022 -0.00027 -0.00137 -0.00166 0.01460 D22 -3.12745 -0.00016 -0.00024 -0.00060 -0.00083 -3.12828 D23 3.12050 0.00019 0.00040 -0.00011 0.00034 3.12084 D24 -0.01621 -0.00025 0.00050 -0.00956 -0.00922 -0.02543 D25 -0.03111 0.00029 0.00051 0.00181 0.00233 -0.02877 D26 3.11537 -0.00015 0.00060 -0.00764 -0.00723 3.10814 D27 -3.13000 0.00005 -0.00040 0.00381 0.00343 -3.12658 D28 0.00495 0.00009 -0.00003 0.00224 0.00222 0.00717 D29 0.01369 -0.00000 -0.00043 0.00306 0.00261 0.01630 D30 -3.13454 0.00004 -0.00007 0.00149 0.00140 -3.13314 D31 -3.14144 0.00020 -0.00002 0.00383 0.00379 -3.13765 D32 -0.01063 -0.00020 0.00006 -0.00395 -0.00388 -0.01451 D33 -0.00654 0.00023 0.00035 0.00223 0.00256 -0.00398 D34 3.12427 -0.00017 0.00043 -0.00555 -0.00511 3.11916 D35 3.12299 0.00001 0.00035 -0.00278 -0.00242 3.12057 D36 -0.01813 -0.00019 0.00037 -0.00574 -0.00542 -0.02355 D37 -0.00728 0.00042 0.00025 0.00538 0.00560 -0.00168 D38 3.13478 0.00022 0.00027 0.00241 0.00260 3.13739 D39 0.02882 -0.00040 -0.00054 -0.00389 -0.00445 0.02437 D40 -3.11757 0.00009 -0.00062 0.00557 0.00480 -3.11277 D41 -3.11330 -0.00019 -0.00056 -0.00063 -0.00119 -3.11449 D42 0.02350 0.00031 -0.00064 0.00883 0.00806 0.03156 D43 2.54031 -0.00377 0.00630 -0.09675 -0.08989 2.45042 D44 -0.10012 0.00647 -0.00635 0.13879 0.13217 0.03205 D45 -1.91632 -0.00065 -0.00006 0.00247 0.00204 -1.91428 D46 -0.59610 -0.00429 0.00639 -0.10691 -0.09991 -0.69601 D47 3.04665 0.00595 -0.00626 0.12863 0.12215 -3.11438 D48 1.23045 -0.00117 0.00002 -0.00769 -0.00798 1.22248 D49 -2.90360 0.00110 -0.00624 0.07225 0.06372 -2.83988 D50 -0.72244 0.00365 -0.00774 0.10057 0.09060 -0.63184 D51 1.27585 0.00171 -0.00671 0.08350 0.07488 1.35073 D52 -0.29291 -0.00582 0.00747 -0.16711 -0.15703 -0.44994 D53 1.88825 -0.00328 0.00598 -0.13879 -0.13015 1.75810 D54 -2.39664 -0.00521 0.00701 -0.15586 -0.14587 -2.54251 D55 1.53712 -0.00104 0.00077 -0.02221 -0.02161 1.51550 D56 -2.56491 0.00151 -0.00072 0.00611 0.00527 -2.55965 D57 -0.56662 -0.00043 0.00031 -0.01096 -0.01045 -0.57707 D58 2.89217 -0.00307 0.00646 -0.08119 -0.07448 2.81769 D59 0.72184 -0.00543 0.00792 -0.11118 -0.10277 0.61906 D60 -1.27280 -0.00438 0.00655 -0.09970 -0.09291 -1.36571 D61 0.30440 0.00630 -0.00772 0.17530 0.16541 0.46981 D62 -1.86594 0.00394 -0.00625 0.14532 0.13712 -1.72882 D63 2.42261 0.00499 -0.00763 0.15680 0.14698 2.56960 D64 -1.54201 0.00211 -0.00075 0.03953 0.03902 -1.50300 D65 2.57083 -0.00025 0.00071 0.00955 0.01072 2.58156 D66 0.57620 0.00080 -0.00066 0.02103 0.02059 0.59679 D67 0.10298 0.00258 -0.00261 0.06014 0.05905 0.16203 D68 2.23558 0.00238 -0.00286 0.06178 0.05980 2.29538 D69 -2.07545 0.00265 -0.00125 0.05760 0.05737 -2.01808 D70 -2.10899 0.00228 -0.00050 0.04602 0.04621 -2.06278 D71 0.02360 0.00208 -0.00075 0.04767 0.04696 0.07056 D72 1.99576 0.00236 0.00086 0.04348 0.04453 2.04029 D73 2.20233 0.00065 -0.00200 0.04096 0.03961 2.24194 D74 -1.94826 0.00045 -0.00225 0.04260 0.04036 -1.90790 D75 0.02390 0.00073 -0.00064 0.03842 0.03793 0.06183 D76 0.05688 0.00159 -0.00144 0.03788 0.03721 0.09409 D77 2.16233 0.00067 -0.00102 0.03040 0.02928 2.19161 D78 -2.14755 0.00068 0.00060 0.02562 0.02629 -2.12126 D79 -2.08185 0.00163 -0.00105 0.03663 0.03650 -2.04535 D80 0.02361 0.00071 -0.00063 0.02915 0.02857 0.05217 D81 1.99691 0.00073 0.00099 0.02437 0.02558 2.02248 D82 2.21950 0.00223 -0.00249 0.04589 0.04420 2.26370 D83 -1.95823 0.00132 -0.00206 0.03841 0.03627 -1.92196 D84 0.01507 0.00133 -0.00045 0.03363 0.03328 0.04835 D85 -0.04173 -0.00114 0.00109 -0.02794 -0.02760 -0.06933 D86 2.08535 -0.00164 0.00099 -0.03275 -0.03278 2.05257 D87 -2.22063 -0.00234 0.00250 -0.04328 -0.04164 -2.26228 D88 -2.14672 -0.00029 0.00066 -0.02092 -0.02012 -2.16684 D89 -0.01965 -0.00079 0.00056 -0.02573 -0.02530 -0.04495 D90 1.95756 -0.00148 0.00207 -0.03626 -0.03417 1.92339 D91 2.16016 -0.00016 -0.00093 -0.01533 -0.01629 2.14387 D92 -1.99595 -0.00066 -0.00104 -0.02014 -0.02148 -2.01742 D93 -0.01874 -0.00136 0.00047 -0.03067 -0.03034 -0.04908 D94 -0.13123 -0.00343 0.00326 -0.07905 -0.07761 -0.20884 D95 2.08797 -0.00274 0.00104 -0.06077 -0.06074 2.02723 D96 -2.21411 -0.00212 0.00226 -0.06118 -0.05987 -2.27398 D97 -2.25200 -0.00276 0.00324 -0.07512 -0.07282 -2.32483 D98 -0.03280 -0.00207 0.00101 -0.05684 -0.05596 -0.08876 D99 1.94830 -0.00146 0.00224 -0.05725 -0.05508 1.89322 D100 2.06318 -0.00303 0.00152 -0.07012 -0.06973 1.99345 D101 -2.00081 -0.00234 -0.00070 -0.05184 -0.05286 -2.05367 D102 -0.01970 -0.00172 0.00052 -0.05224 -0.05199 -0.07169 Item Value Threshold Converged? Maximum Force 0.060844 0.000450 NO RMS Force 0.005981 0.000300 NO Maximum Displacement 0.304496 0.001800 NO RMS Displacement 0.058857 0.001200 NO Predicted change in Energy=-1.777926D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.855150 -5.138347 1.994746 2 6 0 7.359982 -4.830877 3.395438 3 8 0 6.391614 -6.455150 1.891282 4 8 0 2.824207 -1.756006 0.557631 5 6 0 3.619288 -2.575850 0.916106 6 7 0 4.968808 -2.281733 0.768383 7 6 0 6.053441 -3.044265 1.089127 8 8 0 7.180434 -2.665729 0.923883 9 7 0 5.738842 -4.263875 1.620182 10 6 0 4.420948 -4.638540 1.812833 11 6 0 3.348747 -3.894808 1.521526 12 1 0 7.630899 -4.957395 1.267908 13 1 0 7.691124 -3.802780 3.457354 14 1 0 8.202147 -5.472053 3.640618 15 1 0 5.176985 -1.384115 0.369377 16 1 0 4.328972 -5.616093 2.230109 17 6 0 1.941122 -4.435355 1.829197 18 1 0 6.575130 -5.001266 4.124207 19 1 0 7.116750 -7.068223 2.059083 20 6 0 1.872022 -5.949215 1.491510 21 6 0 0.475418 -6.604093 1.333168 22 6 0 -0.792339 -5.713816 1.297713 23 6 0 -0.641933 -4.171022 1.294656 24 6 0 0.758685 -3.512136 1.419166 25 1 0 1.884087 -4.419936 2.922669 26 1 0 2.465938 -6.175023 0.609865 27 1 0 2.369451 -6.454366 2.308180 28 1 0 0.484070 -7.176606 0.414021 29 1 0 0.366138 -7.338204 2.123089 30 1 0 -1.319456 -5.970385 0.386900 31 1 0 -1.456823 -6.009355 2.100988 32 1 0 -1.069067 -3.827875 0.360839 33 1 0 -1.277272 -3.751789 2.066502 34 1 0 0.955340 -2.972665 0.509288 35 1 0 0.716151 -2.758053 2.191455 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520307 0.000000 3 O 1.399837 2.416296 0.000000 4 O 5.454725 6.170999 6.048716 0.000000 5 C 4.266223 5.022452 4.866799 1.196996 0.000000 6 N 3.636274 4.372329 4.550021 2.218134 1.389076 7 C 2.418276 3.196576 3.520220 3.517108 2.484845 8 O 2.714110 3.290697 3.989713 4.465249 3.562289 9 N 1.466677 2.470045 2.302454 3.989175 2.799582 10 C 2.491633 3.343583 2.681371 3.526204 2.387776 11 C 3.750358 4.525238 3.993884 2.403895 1.476272 12 H 1.078343 2.148438 2.041493 5.818734 4.678520 13 H 2.149840 1.081883 3.343109 6.023666 4.954105 14 H 2.152825 1.086491 2.702719 7.227451 6.067418 15 H 4.421800 5.079634 5.432027 2.389416 2.036066 16 H 2.581707 3.340894 2.252401 4.467859 3.387231 17 C 4.966817 5.654519 4.887771 3.094451 2.666033 18 H 2.152164 1.084495 2.670845 6.109140 4.991148 19 H 1.948588 2.617389 0.964280 6.992848 5.806897 20 C 5.073689 5.915516 4.565359 4.400203 3.842346 21 C 6.579292 7.402329 5.944329 5.442629 5.126851 22 C 7.700721 8.464063 7.246452 5.412151 5.427237 23 C 7.591581 8.299357 7.419163 4.288314 4.565729 24 C 6.335830 7.015829 6.372921 2.844753 3.051680 25 H 5.107702 5.511606 5.052094 3.684257 3.230769 26 H 4.717814 5.789456 4.139013 4.433824 3.791839 27 H 4.685258 5.359407 4.043711 5.034463 4.306142 28 H 6.873416 7.852990 6.132036 5.905910 5.590048 29 H 6.852965 7.537865 6.094250 6.297119 5.892352 30 H 8.372672 9.256480 7.871388 5.912705 6.016154 31 H 8.358160 8.988907 7.863884 6.228976 6.241779 32 H 8.196353 9.014636 8.056462 4.414629 4.884318 33 H 8.250090 8.805263 8.133307 4.804371 5.165515 34 H 6.457904 7.266516 6.602325 2.230530 2.723891 35 H 6.587245 7.063048 6.780082 2.849101 3.176148 6 7 8 9 10 6 N 0.000000 7 C 1.364097 0.000000 8 O 2.250094 1.200295 0.000000 9 N 2.290720 1.366909 2.262099 0.000000 10 C 2.635444 2.393846 3.506705 1.383594 0.000000 11 C 2.407038 2.868059 4.068125 2.420433 1.337017 12 H 3.807285 2.486041 2.360721 2.045714 3.271452 13 H 4.117663 2.977558 2.823503 2.720150 3.754596 14 H 5.374231 4.125675 4.037326 3.407305 4.281706 15 H 1.004122 2.010551 2.442093 3.189547 3.639566 16 H 3.696483 3.299989 4.306008 2.046518 1.066858 17 C 3.863974 4.403862 5.603709 3.807330 2.488190 18 H 4.608436 3.648798 4.007893 2.741034 3.180333 19 H 5.402781 4.273602 4.546942 3.155254 3.637491 20 C 4.854217 5.107339 6.267593 4.220098 2.884119 21 C 6.260378 6.621652 7.786878 5.767376 4.434037 22 C 6.726826 7.350831 8.543752 6.697957 5.347890 23 C 5.943635 6.792633 7.974510 6.389748 5.110758 24 C 4.434247 5.325625 6.496197 5.040584 3.851745 25 H 4.327628 4.757926 5.926524 4.071850 2.777623 26 H 4.631111 4.785552 5.885594 3.922387 2.762241 27 H 5.151553 5.165914 6.278186 4.077302 2.784104 28 H 6.648175 6.967776 8.090072 6.127924 4.888503 29 H 6.970488 7.200862 8.348938 6.210504 4.881181 30 H 7.300270 7.963348 9.135493 7.365645 6.062948 31 H 7.547167 8.137548 9.336360 7.419937 6.042380 32 H 6.246005 7.202400 8.349963 6.937122 5.736352 33 H 6.546732 7.429348 8.603366 7.048921 5.772382 34 H 4.080741 5.131470 6.246431 5.077716 4.060150 35 H 4.509668 5.457446 6.588036 5.274587 4.171943 11 12 13 14 15 11 C 0.000000 12 H 4.419303 0.000000 13 H 4.755222 2.475972 0.000000 14 H 5.525735 2.494183 1.755335 0.000000 15 H 3.312625 4.426893 4.659017 6.046806 0.000000 16 H 2.103747 3.501776 4.012268 4.124532 4.700115 17 C 1.538915 5.741178 6.009456 6.599729 4.681020 18 H 4.290425 3.045492 1.768193 1.761444 5.397902 19 H 4.955539 2.312120 3.598358 2.495415 6.239140 20 C 2.530258 5.847938 6.506434 6.702002 5.746486 21 C 3.953697 7.342805 8.026577 8.142983 7.090966 22 C 4.528517 8.457186 8.960203 9.297764 7.432425 23 C 4.006656 8.310165 8.617001 9.241968 6.517883 24 C 2.620179 7.024172 7.231694 8.011320 5.015168 25 H 2.093846 6.004410 5.864166 6.445175 5.155452 26 H 2.609570 5.347191 6.406114 6.525620 5.510028 27 H 2.851172 5.568297 6.055717 6.063058 6.111355 28 H 4.494790 7.532010 8.519754 8.537279 7.455092 29 H 4.595086 7.692616 8.242263 8.196856 7.853085 30 H 5.233308 9.050479 9.763030 10.074519 7.952227 31 H 5.282100 9.186258 9.507556 9.795654 8.270353 32 H 4.568233 8.819750 9.291393 9.970741 6.707101 33 H 4.660205 9.024785 9.075748 9.761994 7.081211 34 H 2.757421 7.005552 7.399390 8.280603 4.512799 35 H 2.944754 7.314628 7.165487 8.093578 5.010660 16 17 18 19 20 16 H 0.000000 17 C 2.693826 0.000000 18 H 3.001806 5.202053 0.000000 19 H 3.147957 5.811364 2.971599 0.000000 20 C 2.587104 1.552604 5.472561 5.392726 0.000000 21 C 4.078055 2.664161 6.896770 6.696989 1.550625 22 C 5.206413 3.064106 7.923155 8.060259 2.681750 23 C 5.260532 2.650996 7.796259 8.317168 3.085561 24 C 4.222703 1.555191 6.585271 7.313019 2.680319 25 H 2.808540 1.095068 4.877245 5.927897 2.094530 26 H 2.531500 2.188297 5.532970 4.952584 1.086750 27 H 2.132727 2.118796 4.805953 4.793299 1.081464 28 H 4.529531 3.411771 7.456446 6.834502 2.143334 29 H 4.322173 3.315642 6.929454 6.756312 2.143798 30 H 5.952116 3.881740 8.788125 8.670121 3.377298 31 H 5.800582 3.754648 8.343975 8.638814 3.384713 32 H 5.985877 3.403872 8.600787 8.966129 3.798487 33 H 5.910361 3.298733 8.213133 9.025430 3.882956 34 H 4.618478 2.203041 6.983188 7.558997 3.265718 35 H 4.606773 2.108347 6.564691 7.717690 3.465469 21 22 23 24 25 21 C 0.000000 22 C 1.549534 0.000000 23 C 2.677646 1.550111 0.000000 24 C 3.106096 2.695889 1.552857 0.000000 25 H 3.046540 3.387899 3.015487 2.085942 0.000000 26 H 2.160889 3.361877 3.760827 3.265066 2.961072 27 H 2.135516 3.400937 3.912713 3.470106 2.179927 28 H 1.082903 2.133047 3.328203 3.809734 3.981532 29 H 1.083900 2.159155 3.425427 3.910039 3.385231 30 H 2.125695 1.083172 2.126209 3.380419 4.369978 31 H 2.162594 1.083574 2.166491 3.407266 3.789867 32 H 3.322384 2.123931 1.082685 2.135515 3.954065 33 H 3.427147 2.162347 1.084047 2.149790 3.342699 34 H 3.754513 3.345131 2.145727 1.075909 2.963372 35 H 3.947991 3.436692 2.155255 1.080222 2.158843 26 27 28 29 30 26 H 0.000000 27 H 1.723838 0.000000 28 H 2.229198 2.768417 0.000000 29 H 2.837605 2.197428 1.720738 0.000000 30 H 3.797473 4.187313 2.169887 2.779660 0.000000 31 H 4.199875 3.857633 2.824075 2.255995 1.720026 32 H 4.250574 4.744892 3.691756 4.181836 2.157249 33 H 4.691000 4.545428 4.190751 3.945424 2.782986 34 H 3.542192 4.166290 4.231346 4.691423 3.765103 35 H 4.151972 4.050896 4.768307 4.594015 4.209418 31 32 33 34 35 31 H 0.000000 32 H 2.817326 0.000000 33 H 2.264957 1.720007 0.000000 34 H 4.192079 2.202645 2.831344 0.000000 35 H 3.911645 2.771765 2.230888 1.712588 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.106034 -1.217580 -0.129166 2 6 0 3.752651 -1.383202 1.236773 3 8 0 2.488634 -2.399871 -0.554075 4 8 0 -0.614653 2.770988 -0.086321 5 6 0 0.107801 1.816792 -0.067119 6 7 0 1.465959 2.024707 -0.271355 7 6 0 2.478678 1.111397 -0.303378 8 8 0 3.624699 1.423875 -0.475720 9 7 0 2.070420 -0.179129 -0.112830 10 6 0 0.737980 -0.479686 0.107628 11 6 0 -0.262225 0.405956 0.160920 12 1 0 3.836939 -0.896632 -0.854144 13 1 0 4.202718 -0.451904 1.553938 14 1 0 4.533072 -2.137915 1.194165 15 1 0 1.742644 2.978937 -0.416799 16 1 0 0.568710 -1.525322 0.234827 17 6 0 -1.693267 -0.078779 0.453166 18 1 0 3.014089 -1.693895 1.967613 19 1 0 3.150200 -3.094903 -0.649456 20 6 0 -1.961201 -1.412948 -0.294353 21 6 0 -3.431507 -1.869364 -0.479619 22 6 0 -4.588266 -0.903340 -0.119394 23 6 0 -4.263678 0.552309 0.303184 24 6 0 -2.791637 1.022215 0.456957 25 1 0 -1.660837 -0.383091 1.504601 26 1 0 -1.469071 -1.417513 -1.263276 27 1 0 -1.461107 -2.177991 0.283730 28 1 0 -3.561467 -2.142491 -1.519421 29 1 0 -3.560458 -2.792308 0.073901 30 1 0 -5.212104 -0.832480 -1.002042 31 1 0 -5.215960 -1.365465 0.633318 32 1 0 -4.721967 1.191914 -0.440512 33 1 0 -4.783527 0.776945 1.227551 34 1 0 -2.607911 1.788044 -0.276072 35 1 0 -2.686233 1.514465 1.412708 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8203443 0.2746278 0.2164336 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1265.9200162304 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.93D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999991 -0.000963 0.000278 -0.004126 Ang= -0.49 deg. 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) = -798.388799116 A.U. after 13 cycles NFock= 13 Conv=0.83D-08 -V/T= 2.0014 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 0.001453697 -0.002514857 0.000313421 2 6 -0.000294500 0.000094248 0.000081930 3 8 0.010729364 -0.008672580 0.002248607 4 8 0.001375680 0.000350763 0.000634509 5 6 -0.001361474 0.000700945 0.001924054 6 7 0.002539201 0.003246438 -0.002184175 7 6 0.000815312 0.001545595 -0.000387454 8 8 -0.000270418 -0.000180997 0.000021991 9 7 -0.002322968 -0.003267016 -0.001038574 10 6 0.004450618 0.001566734 0.001933823 11 6 -0.000106216 0.002754347 -0.005654170 12 1 0.000343881 0.000734073 0.000383055 13 1 0.000190724 0.000342851 0.000074847 14 1 -0.000071351 -0.000100097 -0.000149170 15 1 -0.001501899 -0.005210182 0.002247172 16 1 -0.000128266 -0.000184451 0.000562950 17 6 -0.002520123 0.000190508 0.020190944 18 1 -0.000116441 -0.000009083 0.000077553 19 1 -0.013237992 0.012873287 -0.003047056 20 6 -0.005128449 0.002533496 -0.007110347 21 6 0.001019151 0.001087862 0.001253378 22 6 0.002078764 0.000839146 -0.003458600 23 6 0.001383573 0.000529924 0.001443818 24 6 0.002365258 -0.009077365 -0.007436232 25 1 -0.000627746 -0.000519640 -0.003901373 26 1 -0.002445596 0.004261995 -0.000879045 27 1 0.001843632 -0.002953199 -0.000777569 28 1 0.002186673 -0.001319792 -0.000026329 29 1 -0.002097290 0.000207614 0.000599527 30 1 -0.002638778 -0.001343777 0.001094491 31 1 0.001577656 0.000867848 0.002264361 32 1 -0.000220881 0.003153185 0.000285696 33 1 -0.000829842 -0.002244599 0.001194592 34 1 0.002761567 -0.004356573 -0.001168897 35 1 -0.001194521 0.004073349 -0.001611729 ------------------------------------------------------------------- Cartesian Forces: Max 0.020190944 RMS 0.003806088 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.018669772 RMS 0.001994778 Search for a local minimum. Step number 4 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -1.50D-02 DEPred=-1.78D-02 R= 8.46D-01 TightC=F SS= 1.41D+00 RLast= 6.00D-01 DXNew= 1.4270D+00 1.7987D+00 Trust test= 8.46D-01 RLast= 6.00D-01 DXMaxT set to 1.43D+00 ITU= 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00234 0.00234 0.00243 0.00279 0.00442 Eigenvalues --- 0.00495 0.01319 0.01450 0.01457 0.01568 Eigenvalues --- 0.01617 0.01679 0.01847 0.01930 0.02007 Eigenvalues --- 0.02040 0.02360 0.02573 0.02746 0.02846 Eigenvalues --- 0.02927 0.02939 0.04588 0.04593 0.04698 Eigenvalues --- 0.04938 0.04970 0.05064 0.05099 0.05334 Eigenvalues --- 0.05677 0.05738 0.05982 0.07962 0.08194 Eigenvalues --- 0.09058 0.09251 0.09469 0.09501 0.09643 Eigenvalues --- 0.10140 0.11072 0.12943 0.13034 0.15738 Eigenvalues --- 0.15998 0.16000 0.16000 0.16002 0.16153 Eigenvalues --- 0.18072 0.19132 0.19625 0.20010 0.21636 Eigenvalues --- 0.21997 0.22857 0.23835 0.24955 0.24994 Eigenvalues --- 0.24999 0.25143 0.27202 0.27421 0.28122 Eigenvalues --- 0.28185 0.28464 0.28510 0.28528 0.29926 Eigenvalues --- 0.33457 0.34402 0.34595 0.34769 0.34781 Eigenvalues --- 0.34784 0.34800 0.34800 0.34811 0.34817 Eigenvalues --- 0.34821 0.34834 0.34841 0.34853 0.34858 Eigenvalues --- 0.34869 0.34899 0.36531 0.37602 0.42700 Eigenvalues --- 0.44474 0.47476 0.48768 0.50289 0.55703 Eigenvalues --- 0.57494 0.60827 0.87959 0.96588 RFO step: Lambda=-1.09551556D-02 EMin= 2.33526149D-03 Quartic linear search produced a step of 0.16395. Iteration 1 RMS(Cart)= 0.07564172 RMS(Int)= 0.00346833 Iteration 2 RMS(Cart)= 0.00500210 RMS(Int)= 0.00118879 Iteration 3 RMS(Cart)= 0.00001262 RMS(Int)= 0.00118875 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00118875 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87296 0.00005 -0.00022 -0.00049 -0.00071 2.87225 R2 2.64531 -0.00306 0.00070 -0.00838 -0.00768 2.63763 R3 2.77162 -0.00241 0.00517 -0.00593 -0.00077 2.77085 R4 2.03777 0.00011 0.00127 0.00010 0.00136 2.03914 R5 2.04446 0.00039 0.00041 0.00062 0.00102 2.04548 R6 2.05317 -0.00003 0.00077 0.00015 0.00092 2.05409 R7 2.04940 0.00014 0.00051 0.00025 0.00075 2.05015 R8 1.82223 -0.01867 0.01909 -0.04571 -0.02661 1.79561 R9 2.26200 -0.00086 0.00326 -0.00230 0.00095 2.26295 R10 2.62497 0.00097 0.00054 0.00379 0.00433 2.62931 R11 2.78975 -0.00005 0.00136 0.00068 0.00205 2.79180 R12 2.57777 -0.00103 0.00167 -0.00284 -0.00117 2.57660 R13 1.89752 -0.00586 0.01115 -0.01584 -0.00468 1.89283 R14 2.26823 -0.00031 0.00143 -0.00091 0.00051 2.26874 R15 2.58308 -0.00015 0.00127 0.00099 0.00227 2.58535 R16 2.61461 -0.00272 -0.00047 -0.00482 -0.00529 2.60933 R17 2.52660 0.00125 -0.00030 0.00219 0.00188 2.52848 R18 2.01607 0.00040 0.00353 0.00072 0.00425 2.02032 R19 2.90813 0.00410 0.00010 0.01156 0.01166 2.91979 R20 2.93400 -0.00095 -0.00419 -0.00543 -0.01073 2.92327 R21 2.93888 -0.00491 -0.00314 -0.02062 -0.02491 2.91397 R22 2.06938 -0.00387 -0.00188 -0.01172 -0.01360 2.05578 R23 2.93026 -0.00182 -0.00100 -0.00535 -0.00636 2.92390 R24 2.05366 -0.00151 -0.00040 -0.00492 -0.00532 2.04834 R25 2.04367 0.00164 0.00153 0.00456 0.00609 2.04976 R26 2.92820 -0.00168 -0.00244 -0.00507 -0.00635 2.92185 R27 2.04639 0.00074 0.00099 0.00206 0.00305 2.04944 R28 2.04827 0.00051 0.00080 0.00146 0.00226 2.05053 R29 2.92928 -0.00148 -0.00260 -0.00523 -0.00668 2.92260 R30 2.04690 0.00068 0.00080 0.00182 0.00262 2.04952 R31 2.04766 0.00047 0.00077 0.00119 0.00196 2.04962 R32 2.93447 -0.00156 -0.00138 -0.00603 -0.00745 2.92702 R33 2.04598 0.00084 0.00102 0.00234 0.00337 2.04934 R34 2.04855 0.00047 0.00095 0.00132 0.00227 2.05082 R35 2.03317 -0.00069 -0.00045 -0.00208 -0.00253 2.03065 R36 2.04132 0.00174 0.00140 0.00494 0.00634 2.04767 A1 1.94797 0.00156 -0.00374 0.00472 0.00092 1.94890 A2 1.94705 0.00113 0.00068 0.00117 0.00184 1.94890 A3 1.92643 -0.00084 -0.00136 0.00044 -0.00095 1.92548 A4 1.86497 -0.00328 0.00563 -0.01975 -0.01410 1.85088 A5 1.92437 0.00073 -0.00004 0.00790 0.00782 1.93219 A6 1.84975 0.00060 -0.00072 0.00510 0.00438 1.85414 A7 1.92469 0.00016 -0.00199 0.00020 -0.00178 1.92290 A8 1.92404 -0.00030 0.00144 -0.00032 0.00112 1.92517 A9 1.92520 0.00000 -0.00031 0.00026 -0.00006 1.92514 A10 1.88665 0.00006 0.00012 -0.00029 -0.00017 1.88649 A11 1.90960 -0.00002 0.00090 0.00052 0.00142 1.91101 A12 1.89294 0.00010 -0.00011 -0.00039 -0.00050 1.89243 A13 1.91367 -0.00237 0.00467 -0.01093 -0.00626 1.90741 A14 2.05833 -0.00109 -0.00199 -0.00349 -0.00546 2.05286 A15 2.23068 0.00130 0.00343 0.00441 0.00787 2.23855 A16 1.99416 -0.00021 -0.00144 -0.00093 -0.00241 1.99174 A17 2.25122 0.00107 -0.00057 0.00599 0.00537 2.25659 A18 2.01856 -0.00081 -0.00060 -0.00539 -0.00598 2.01258 A19 2.01340 -0.00026 0.00117 -0.00059 0.00060 2.01400 A20 2.13875 0.00075 -0.00091 0.00329 0.00240 2.14115 A21 1.99009 -0.00134 0.00115 -0.00577 -0.00467 1.98542 A22 2.15432 0.00059 -0.00024 0.00245 0.00222 2.15655 A23 2.04432 0.00123 0.00053 0.00553 0.00607 2.05038 A24 2.12699 -0.00209 0.00014 -0.00662 -0.00646 2.12053 A25 2.11172 0.00086 -0.00069 0.00096 0.00021 2.11194 A26 2.19307 0.00114 -0.00053 0.00668 0.00608 2.19916 A27 1.96568 -0.00047 0.00232 -0.00500 -0.00268 1.96300 A28 2.12443 -0.00068 -0.00178 -0.00170 -0.00347 2.12096 A29 2.02570 -0.00151 0.00209 -0.00607 -0.00427 2.02143 A30 2.16934 0.00273 0.00344 0.01022 0.01343 2.18277 A31 2.08814 -0.00122 -0.00553 -0.00432 -0.01005 2.07809 A32 1.91741 0.00385 -0.00838 0.00210 -0.01195 1.90545 A33 2.01997 -0.00081 -0.00486 -0.02482 -0.03411 1.98586 A34 1.81556 -0.00095 0.00997 0.01357 0.02387 1.83943 A35 2.08018 -0.00524 -0.00985 -0.05608 -0.07286 2.00732 A36 1.80143 0.00131 0.01172 0.04206 0.05637 1.85780 A37 1.78781 0.00255 0.01458 0.04998 0.06707 1.85487 A38 2.06472 0.00309 0.00274 0.00510 0.00334 2.06806 A39 1.93341 -0.00225 -0.00182 -0.02131 -0.02096 1.91246 A40 1.84495 -0.00013 -0.00337 0.01169 0.00886 1.85380 A41 1.89824 0.00024 0.00265 0.00993 0.01330 1.91154 A42 1.86932 -0.00198 -0.00074 -0.01047 -0.00918 1.86015 A43 1.83818 0.00081 0.00016 0.00568 0.00525 1.84343 A44 2.09045 -0.00073 -0.00147 -0.00912 -0.01290 2.07755 A45 1.87838 -0.00014 0.00052 0.00077 0.00218 1.88056 A46 1.87803 0.00050 0.00174 0.00413 0.00631 1.88434 A47 1.86593 0.00047 0.00055 0.01554 0.01611 1.88204 A48 1.90003 0.00012 -0.00013 -0.00900 -0.00772 1.89231 A49 1.83517 -0.00018 -0.00128 -0.00141 -0.00297 1.83220 A50 2.08575 -0.00149 -0.00166 -0.01107 -0.01432 2.07143 A51 1.85594 0.00028 0.00001 0.01412 0.01413 1.87007 A52 1.90504 0.00064 0.00142 -0.00707 -0.00489 1.90015 A53 1.85596 0.00042 -0.00014 0.01394 0.01414 1.87009 A54 1.90967 0.00053 0.00128 -0.00679 -0.00508 1.90459 A55 1.83416 -0.00029 -0.00100 -0.00038 -0.00153 1.83263 A56 2.10559 -0.00057 -0.00192 -0.01075 -0.01533 2.09026 A57 1.85341 0.00053 0.00033 0.01753 0.01804 1.87145 A58 1.90354 -0.00007 0.00030 -0.01000 -0.00824 1.89530 A59 1.86556 -0.00008 0.00016 0.00157 0.00304 1.86860 A60 1.88330 0.00042 0.00252 0.00488 0.00763 1.89093 A61 1.83415 -0.00020 -0.00152 -0.00182 -0.00366 1.83048 A62 2.04321 0.00345 0.00276 0.00584 0.00320 2.04640 A63 1.96238 -0.00284 -0.00101 -0.02271 -0.02139 1.94099 A64 1.82952 -0.00006 -0.00226 0.01120 0.00982 1.83934 A65 1.88578 0.00103 0.00225 0.01815 0.02187 1.90765 A66 1.89443 -0.00254 -0.00238 -0.01431 -0.01477 1.87965 A67 1.83566 0.00059 0.00015 0.00065 0.00015 1.83581 D1 -3.11873 0.00120 -0.00306 0.00876 0.00571 -3.11301 D2 1.08253 0.00121 -0.00288 0.00919 0.00633 1.08887 D3 -1.00751 0.00128 -0.00346 0.00971 0.00628 -1.00123 D4 -1.03373 -0.00115 0.00205 -0.01235 -0.01031 -1.04404 D5 -3.11565 -0.00114 0.00224 -0.01192 -0.00969 -3.12534 D6 1.07749 -0.00107 0.00166 -0.01140 -0.00975 1.06774 D7 1.01796 -0.00023 0.00071 -0.00500 -0.00431 1.01365 D8 -1.06397 -0.00022 0.00089 -0.00457 -0.00369 -1.06765 D9 3.12918 -0.00015 0.00031 -0.00405 -0.00374 3.12543 D10 -1.08958 -0.00011 0.00232 -0.00515 -0.00285 -1.09243 D11 3.06068 -0.00029 -0.00002 0.00355 0.00353 3.06421 D12 1.05809 0.00043 -0.00217 0.00435 0.00220 1.06029 D13 1.49038 0.00004 0.00121 0.01983 0.02103 1.51141 D14 -1.63259 0.00022 0.00248 0.02763 0.03007 -1.60252 D15 -2.65931 0.00050 0.00066 0.01337 0.01408 -2.64524 D16 0.50091 0.00067 0.00193 0.02118 0.02312 0.52402 D17 -0.60701 0.00005 0.00293 0.01546 0.01840 -0.58861 D18 2.55321 0.00023 0.00420 0.02326 0.02744 2.58065 D19 -3.13416 -0.00036 0.00005 -0.01666 -0.01678 3.13224 D20 0.00614 -0.00021 0.00019 -0.00932 -0.00923 -0.00309 D21 0.01460 -0.00038 -0.00027 -0.01581 -0.01615 -0.00155 D22 -3.12828 -0.00023 -0.00014 -0.00847 -0.00860 -3.13688 D23 3.12084 0.00086 0.00006 0.03394 0.03400 -3.12835 D24 -0.02543 -0.00005 -0.00151 -0.00584 -0.00759 -0.03302 D25 -0.02877 0.00087 0.00038 0.03295 0.03321 0.00444 D26 3.10814 -0.00005 -0.00118 -0.00684 -0.00837 3.09977 D27 -3.12658 0.00006 0.00056 0.00261 0.00324 -3.12334 D28 0.00717 -0.00008 0.00036 -0.00222 -0.00181 0.00536 D29 0.01630 -0.00009 0.00043 -0.00471 -0.00431 0.01199 D30 -3.13314 -0.00023 0.00023 -0.00953 -0.00936 3.14069 D31 -3.13765 0.00027 0.00062 0.01071 0.01138 -3.12627 D32 -0.01451 0.00007 -0.00064 0.00289 0.00231 -0.01220 D33 -0.00398 0.00014 0.00042 0.00584 0.00628 0.00230 D34 3.11916 -0.00007 -0.00084 -0.00198 -0.00279 3.11637 D35 3.12057 0.00031 -0.00040 0.01000 0.00966 3.13023 D36 -0.02355 0.00005 -0.00089 0.00068 -0.00027 -0.02382 D37 -0.00168 0.00049 0.00092 0.01806 0.01895 0.01727 D38 3.13739 0.00023 0.00043 0.00874 0.00903 -3.13677 D39 0.02437 -0.00095 -0.00073 -0.03614 -0.03685 -0.01249 D40 -3.11277 -0.00009 0.00079 0.00164 0.00202 -3.11075 D41 -3.11449 -0.00067 -0.00019 -0.02602 -0.02609 -3.14058 D42 0.03156 0.00018 0.00132 0.01176 0.01278 0.04434 D43 2.45042 -0.00148 -0.01474 0.00286 -0.01268 2.43774 D44 0.03205 0.00319 0.02167 0.11488 0.13728 0.16932 D45 -1.91428 0.00108 0.00033 0.05787 0.05834 -1.85594 D46 -0.69601 -0.00242 -0.01638 -0.03827 -0.05549 -0.75150 D47 -3.11438 0.00224 0.02003 0.07376 0.09447 -3.01992 D48 1.22248 0.00014 -0.00131 0.01674 0.01553 1.23800 D49 -2.83988 -0.00030 0.01045 -0.06379 -0.05360 -2.89347 D50 -0.63184 0.00061 0.01485 -0.06541 -0.05161 -0.68345 D51 1.35073 0.00042 0.01228 -0.06256 -0.05073 1.30000 D52 -0.44994 -0.00286 -0.02575 -0.16431 -0.18687 -0.63681 D53 1.75810 -0.00196 -0.02134 -0.16593 -0.18488 1.57322 D54 -2.54251 -0.00214 -0.02392 -0.16307 -0.18401 -2.72652 D55 1.51550 -0.00132 -0.00354 -0.09985 -0.10333 1.41217 D56 -2.55965 -0.00042 0.00086 -0.10146 -0.10134 -2.66099 D57 -0.57707 -0.00061 -0.00171 -0.09861 -0.10047 -0.67754 D58 2.81769 0.00192 -0.01221 0.08176 0.07078 2.88848 D59 0.61906 0.00005 -0.01685 0.07185 0.05678 0.67584 D60 -1.36571 0.00072 -0.01523 0.07541 0.06120 -1.30451 D61 0.46981 0.00290 0.02712 0.17817 0.20230 0.67211 D62 -1.72882 0.00103 0.02248 0.16825 0.18829 -1.54053 D63 2.56960 0.00170 0.02410 0.17182 0.19272 2.76231 D64 -1.50300 0.00199 0.00640 0.11770 0.12448 -1.37852 D65 2.58156 0.00013 0.00176 0.10779 0.11047 2.69203 D66 0.59679 0.00080 0.00338 0.11135 0.11490 0.71168 D67 0.16203 0.00160 0.00968 0.05280 0.06387 0.22591 D68 2.29538 0.00159 0.00980 0.06801 0.07823 2.37361 D69 -2.01808 0.00155 0.00941 0.06872 0.07889 -1.93919 D70 -2.06278 0.00195 0.00758 0.06930 0.07822 -1.98456 D71 0.07056 0.00193 0.00770 0.08451 0.09258 0.16315 D72 2.04029 0.00189 0.00730 0.08523 0.09324 2.13353 D73 2.24194 0.00189 0.00649 0.06319 0.07040 2.31234 D74 -1.90790 0.00187 0.00662 0.07840 0.08476 -1.82314 D75 0.06183 0.00183 0.00622 0.07911 0.08541 0.14724 D76 0.09409 0.00109 0.00610 0.05192 0.05829 0.15238 D77 2.19161 0.00089 0.00480 0.07470 0.07905 2.27066 D78 -2.12126 0.00100 0.00431 0.07804 0.08205 -2.03921 D79 -2.04535 0.00140 0.00598 0.04393 0.05075 -1.99460 D80 0.05217 0.00120 0.00468 0.06671 0.07151 0.12368 D81 2.02248 0.00131 0.00419 0.07005 0.07452 2.09700 D82 2.26370 0.00132 0.00725 0.04206 0.04988 2.31359 D83 -1.92196 0.00112 0.00595 0.06484 0.07064 -1.85132 D84 0.04835 0.00122 0.00546 0.06818 0.07365 0.12200 D85 -0.06933 -0.00121 -0.00452 -0.03736 -0.04285 -0.11218 D86 2.05257 -0.00126 -0.00537 -0.02749 -0.03395 2.01861 D87 -2.26228 -0.00126 -0.00683 -0.02548 -0.03310 -2.29538 D88 -2.16684 -0.00093 -0.00330 -0.06023 -0.06360 -2.23044 D89 -0.04495 -0.00098 -0.00415 -0.05036 -0.05471 -0.09965 D90 1.92339 -0.00098 -0.00560 -0.04835 -0.05386 1.86954 D91 2.14387 -0.00106 -0.00267 -0.06368 -0.06660 2.07727 D92 -2.01742 -0.00111 -0.00352 -0.05381 -0.05770 -2.07512 D93 -0.04908 -0.00111 -0.00497 -0.05180 -0.05685 -0.10593 D94 -0.20884 -0.00188 -0.01272 -0.08297 -0.09696 -0.30580 D95 2.02723 -0.00208 -0.00996 -0.09329 -0.10421 1.92302 D96 -2.27398 -0.00214 -0.00981 -0.09048 -0.10055 -2.37453 D97 -2.32483 -0.00213 -0.01194 -0.10058 -0.11317 -2.43800 D98 -0.08876 -0.00232 -0.00917 -0.11090 -0.12041 -0.20917 D99 1.89322 -0.00238 -0.00903 -0.10809 -0.11676 1.77646 D100 1.99345 -0.00204 -0.01143 -0.10150 -0.11398 1.87947 D101 -2.05367 -0.00224 -0.00867 -0.11182 -0.12122 -2.17489 D102 -0.07169 -0.00230 -0.00852 -0.10901 -0.11757 -0.18926 Item Value Threshold Converged? Maximum Force 0.018670 0.000450 NO RMS Force 0.001995 0.000300 NO Maximum Displacement 0.416059 0.001800 NO RMS Displacement 0.075886 0.001200 NO Predicted change in Energy=-8.348119D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.842158 -5.137308 1.993058 2 6 0 7.324944 -4.873534 3.409931 3 8 0 6.357041 -6.437975 1.847758 4 8 0 2.833179 -1.695056 0.635432 5 6 0 3.618863 -2.538109 0.960962 6 7 0 4.972000 -2.251856 0.809342 7 6 0 6.056383 -3.022460 1.108271 8 8 0 7.184420 -2.645812 0.943861 9 7 0 5.735951 -4.248513 1.623868 10 6 0 4.419315 -4.616413 1.818078 11 6 0 3.344328 -3.874808 1.527039 12 1 0 7.633515 -4.943985 1.285414 13 1 0 7.668619 -3.851345 3.502984 14 1 0 8.154438 -5.532049 3.654496 15 1 0 5.178694 -1.347885 0.430654 16 1 0 4.325976 -5.598204 2.230824 17 6 0 1.939263 -4.430476 1.850018 18 1 0 6.524288 -5.052318 4.119845 19 1 0 7.060796 -7.055396 2.010223 20 6 0 1.875976 -5.920991 1.440938 21 6 0 0.490516 -6.604352 1.354115 22 6 0 -0.782023 -5.726420 1.377278 23 6 0 -0.626286 -4.190770 1.280240 24 6 0 0.786924 -3.557624 1.313332 25 1 0 1.861141 -4.405275 2.934789 26 1 0 2.409827 -6.064692 0.508592 27 1 0 2.442923 -6.464709 2.188925 28 1 0 0.469781 -7.195345 0.445009 29 1 0 0.422913 -7.327495 2.160295 30 1 0 -1.400970 -6.038418 0.543111 31 1 0 -1.360027 -5.969758 2.262196 32 1 0 -1.093178 -3.878600 0.352539 33 1 0 -1.224291 -3.732297 2.061236 34 1 0 1.020396 -3.159165 0.343061 35 1 0 0.747206 -2.697587 1.971286 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519930 0.000000 3 O 1.395774 2.413441 0.000000 4 O 5.455654 6.162509 6.031801 0.000000 5 C 4.267398 5.018634 4.846956 1.197501 0.000000 6 N 3.636551 4.378653 4.529927 2.216941 1.391369 7 C 2.423401 3.214554 3.507561 3.517758 2.489537 8 O 2.724979 3.326257 3.985234 4.464568 3.567224 9 N 1.466271 2.470945 2.286837 3.990393 2.801247 10 C 2.484374 3.323068 2.659652 3.528287 2.386361 11 C 3.747785 4.515311 3.968516 2.409888 1.477355 12 H 1.079064 2.147964 2.043924 5.832773 4.691581 13 H 2.148631 1.082424 3.339262 6.021123 4.958527 14 H 2.153666 1.086976 2.704744 7.221708 6.065496 15 H 4.423567 5.090449 5.413474 2.379895 2.032469 16 H 2.569072 3.302915 2.230959 4.473062 3.387733 17 C 4.955648 5.624516 4.852506 3.123593 2.681889 18 H 2.152090 1.084893 2.666533 6.085773 4.974061 19 H 1.930585 2.605663 0.950197 6.963910 5.775268 20 C 5.057861 5.887729 4.529097 4.407222 3.835613 21 C 6.550101 7.343808 5.889607 5.486872 5.145431 22 C 7.671660 8.401309 7.189846 5.465521 5.450362 23 C 7.561859 8.259771 7.357912 4.314194 4.566675 24 C 6.294704 6.990927 6.293508 2.848837 3.030422 25 H 5.121842 5.504378 5.052388 3.684724 3.236030 26 H 4.765421 5.830523 4.184877 4.391929 3.755422 27 H 4.599307 5.277956 3.929049 5.031424 4.278891 28 H 6.873075 7.821434 6.099274 5.989582 5.645598 29 H 6.784658 7.431120 6.008560 6.313395 5.881387 30 H 8.418046 9.258357 7.877086 6.066411 6.133962 31 H 8.248712 8.828801 7.742359 6.205032 6.185368 32 H 8.200318 9.011233 8.018220 4.501575 4.936642 33 H 8.188181 8.729881 8.052506 4.758816 5.108114 34 H 6.366196 7.217484 6.441622 2.348463 2.742179 35 H 6.565146 7.076092 6.743590 2.672238 3.048377 6 7 8 9 10 6 N 0.000000 7 C 1.363479 0.000000 8 O 2.251244 1.200567 0.000000 9 N 2.287731 1.368109 2.264756 0.000000 10 C 2.629474 2.392593 3.506184 1.380796 0.000000 11 C 2.407982 2.873518 4.073921 2.422580 1.338013 12 H 3.815477 2.492185 2.366420 2.049141 3.274464 13 H 4.133501 3.003499 2.869994 2.724706 3.739280 14 H 5.383538 4.145255 4.076622 3.408812 4.261686 15 H 1.001644 2.008408 2.443549 3.185583 3.631098 16 H 3.692695 3.299832 4.306227 2.044038 1.069105 17 C 3.876452 4.413997 5.614073 3.807767 2.487217 18 H 4.605607 3.661808 4.039049 2.738153 3.149453 19 H 5.373935 4.252874 4.538374 3.127791 3.600413 20 C 4.842192 5.097838 6.257273 4.210707 2.883181 21 C 6.270940 6.623387 7.787599 5.756504 4.427485 22 C 6.745659 7.358502 8.552321 6.687974 5.336697 23 C 5.943226 6.786206 7.969139 6.371772 5.092007 24 C 4.412924 5.300533 6.472702 5.006659 3.817076 25 H 4.339606 4.780000 5.949521 4.093561 2.799264 26 H 4.603574 4.786664 5.888543 3.950373 2.801840 27 H 5.103685 5.106268 6.214173 4.009345 2.731273 28 H 6.696327 7.004499 8.126099 6.148665 4.912742 29 H 6.948479 7.167709 8.313593 6.164110 4.841313 30 H 7.417794 8.063964 9.240092 7.436897 6.125631 31 H 7.485195 8.063575 9.262516 7.329601 5.952275 32 H 6.296137 7.240188 8.389759 6.956301 5.751501 33 H 6.492531 7.377006 8.551924 6.993050 5.717611 34 H 4.081152 5.095625 6.214474 5.006357 3.981445 35 H 4.404278 5.388663 6.518896 5.235804 4.146052 11 12 13 14 15 11 C 0.000000 12 H 4.427036 0.000000 13 H 4.754409 2.472390 0.000000 14 H 5.514497 2.495943 1.756059 0.000000 15 H 3.309426 4.437195 4.680411 6.062627 0.000000 16 H 2.104528 3.501659 3.980349 4.085137 4.693927 17 C 1.545085 5.745169 5.991094 6.564907 4.691575 18 H 4.268643 3.045672 1.769844 1.761841 5.398479 19 H 4.915459 2.304650 3.586604 2.494048 6.213938 20 C 2.519987 5.841916 6.487695 6.668599 5.730787 21 C 3.952791 7.333755 7.982597 8.073245 7.103678 22 C 4.525225 8.452332 8.913354 9.224090 7.456394 23 C 3.990805 8.294075 8.594258 9.194414 6.519324 24 C 2.585845 6.985599 7.227627 7.978702 4.994969 25 H 2.112581 6.027516 5.861441 6.433754 5.159892 26 H 2.589617 5.398736 6.443616 6.571223 5.470006 27 H 2.821030 5.483719 5.988683 5.969854 6.062825 28 H 4.523248 7.556056 8.506281 8.492427 7.507786 29 H 4.566916 7.644561 8.147803 8.076679 7.833572 30 H 5.307276 9.130756 9.787828 10.061956 8.081196 31 H 5.201945 9.104400 9.356478 9.625754 8.214081 32 H 4.590308 8.840841 9.311023 9.957672 6.763653 33 H 4.601951 8.973896 9.009810 9.681847 7.024417 34 H 2.704554 6.914258 7.393450 8.215275 4.536502 35 H 2.885870 7.275848 7.182145 8.107679 4.881939 16 17 18 19 20 16 H 0.000000 17 C 2.684213 0.000000 18 H 2.949401 5.153761 0.000000 19 H 3.106656 5.757253 2.958153 0.000000 20 C 2.594342 1.546928 5.434882 5.337913 0.000000 21 C 4.060998 2.659046 6.816485 6.618345 1.547262 22 C 5.180408 3.050959 7.833151 7.979761 2.665871 23 C 5.235397 2.638968 7.741856 8.235908 3.046442 24 C 4.186962 1.542009 6.559571 7.216754 2.605345 25 H 2.827377 1.087872 4.854685 5.908838 2.128193 26 H 2.618266 2.165990 5.567300 4.986772 1.083935 27 H 2.073276 2.122883 4.730839 4.658926 1.084686 28 H 4.539849 3.431898 7.399597 6.775762 2.143184 29 H 4.269581 3.284556 6.800223 6.645151 2.146420 30 H 5.986658 3.930730 8.750722 8.648013 3.399743 31 H 5.698216 3.663959 8.151992 8.494254 3.338946 32 H 5.987673 3.426764 8.578811 8.906584 3.764552 33 H 5.857972 3.246559 8.125319 8.926827 3.845362 34 H 4.520998 2.175195 6.938369 7.378786 3.092739 35 H 4.613949 2.106801 6.598161 7.671598 3.456259 21 22 23 24 25 21 C 0.000000 22 C 1.546174 0.000000 23 C 2.660467 1.546574 0.000000 24 C 3.061384 2.677566 1.548913 0.000000 25 H 3.035306 3.340296 2.995136 2.121692 0.000000 26 H 2.165617 3.325199 3.650344 3.093026 2.990176 27 H 2.127981 3.406482 3.926392 3.458344 2.266286 28 H 1.084516 2.143333 3.305517 3.753342 3.989909 29 H 1.085096 2.151378 3.422625 3.880951 3.347791 30 H 2.134415 1.084561 2.134783 3.396242 4.362183 31 H 2.156810 1.084612 2.160420 3.365729 3.643612 32 H 3.307713 2.135731 1.084466 2.135634 3.958965 33 H 3.418959 2.154049 1.085247 2.152872 3.276566 34 H 3.629369 3.302895 2.157331 1.074572 2.996114 35 H 3.963534 3.444592 2.143274 1.083580 2.255080 26 27 28 29 30 26 H 0.000000 27 H 1.727607 0.000000 28 H 2.246375 2.732830 0.000000 29 H 2.875868 2.196739 1.721007 0.000000 30 H 3.811044 4.203087 2.201775 2.757454 0.000000 31 H 4.158839 3.835724 2.855245 2.243370 1.720942 32 H 4.132118 4.750188 3.667723 4.178683 2.189947 33 H 4.588854 4.575023 4.180283 3.955824 2.766606 34 H 3.224905 4.044431 4.074840 4.586317 3.767378 35 H 4.030034 4.136910 4.757763 4.645098 4.220841 31 32 33 34 35 31 H 0.000000 32 H 2.844458 0.000000 33 H 2.250565 1.719953 0.000000 34 H 4.153183 2.232683 2.884307 0.000000 35 H 3.902841 2.720689 2.228344 1.714294 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.084485 -1.240460 -0.132175 2 6 0 3.705840 -1.444426 1.239869 3 8 0 2.436726 -2.392524 -0.580888 4 8 0 -0.576693 2.802834 -0.023943 5 6 0 0.125297 1.832738 -0.035513 6 7 0 1.486784 2.024230 -0.249029 7 6 0 2.490971 1.103238 -0.298593 8 8 0 3.639543 1.405364 -0.474275 9 7 0 2.067346 -0.184498 -0.114195 10 6 0 0.735538 -0.469486 0.113110 11 6 0 -0.262210 0.420727 0.161061 12 1 0 3.834951 -0.924413 -0.840195 13 1 0 4.176055 -0.529424 1.576485 14 1 0 4.466952 -2.219317 1.197826 15 1 0 1.769986 2.975990 -0.380338 16 1 0 0.557859 -1.515730 0.242682 17 6 0 -1.693908 -0.072270 0.468443 18 1 0 2.948095 -1.746421 1.955142 19 1 0 3.071856 -3.092848 -0.675920 20 6 0 -1.967850 -1.367753 -0.331347 21 6 0 -3.427848 -1.865448 -0.452689 22 6 0 -4.579908 -0.918152 -0.045206 23 6 0 -4.249030 0.558446 0.274277 24 6 0 -2.771844 1.021310 0.327281 25 1 0 -1.682518 -0.355392 1.518765 26 1 0 -1.530436 -1.283830 -1.319548 27 1 0 -1.413011 -2.154893 0.167760 28 1 0 -3.591144 -2.163069 -1.482704 29 1 0 -3.517923 -2.781694 0.121605 30 1 0 -5.295780 -0.916395 -0.859943 31 1 0 -5.111244 -1.352947 0.794449 32 1 0 -4.746853 1.167837 -0.471968 33 1 0 -4.724082 0.824170 1.213147 34 1 0 -2.569575 1.660471 -0.512520 35 1 0 -2.655898 1.653597 1.199586 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8175290 0.2769180 0.2173660 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1268.1733246818 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.91D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999995 -0.001270 0.000008 0.002984 Ang= -0.37 deg. 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) = -798.397880815 A.U. after 13 cycles NFock= 13 Conv=0.62D-08 -V/T= 2.0014 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 -0.000971418 0.000334779 -0.000032646 2 6 0.000032895 0.000392857 0.000358941 3 8 0.002772785 -0.003073030 -0.000240797 4 8 0.000326186 -0.002048924 0.001629593 5 6 -0.001519242 0.001165784 0.000992094 6 7 0.001351565 0.001659043 -0.001942142 7 6 0.000506695 0.001200680 0.000579722 8 8 -0.001161255 -0.000928569 0.000132179 9 7 0.000294190 -0.000484498 -0.000976666 10 6 0.002539273 -0.000891003 0.001424606 11 6 0.001277944 0.001763132 0.001712279 12 1 -0.000382578 0.000403980 0.000209397 13 1 0.000055882 0.000103716 0.000309879 14 1 -0.000289318 0.000097424 -0.000304125 15 1 -0.000812676 -0.003070743 0.001305564 16 1 -0.000108312 0.001907569 -0.000276656 17 6 -0.000735144 -0.000276863 -0.000801171 18 1 0.000171261 0.000221578 -0.000043455 19 1 -0.002476642 0.002019745 -0.000547281 20 6 0.000268656 -0.000765222 0.002119582 21 6 0.000172915 -0.000025153 0.000791002 22 6 -0.000711117 -0.000446447 -0.002377326 23 6 0.000116550 0.000974401 0.000127134 24 6 0.000267614 -0.000144734 0.004925945 25 1 -0.003193274 -0.000662874 0.000097458 26 1 -0.002112064 0.002657788 -0.002069551 27 1 0.001454546 -0.002468680 -0.003060672 28 1 0.001914565 -0.000083289 0.000139984 29 1 -0.001295292 0.000625940 0.000126874 30 1 -0.001492768 -0.000933878 0.001546454 31 1 0.001801749 0.001060794 0.001378680 32 1 0.000518780 0.002141311 0.000482550 33 1 0.000381922 -0.001728647 0.000881147 34 1 0.001777522 -0.003430148 -0.003873783 35 1 -0.000742396 0.002732185 -0.004724794 ------------------------------------------------------------------- Cartesian Forces: Max 0.004925945 RMS 0.001565525 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004080055 RMS 0.001068203 Search for a local minimum. Step number 5 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -9.08D-03 DEPred=-8.35D-03 R= 1.09D+00 TightC=F SS= 1.41D+00 RLast= 7.84D-01 DXNew= 2.4000D+00 2.3519D+00 Trust test= 1.09D+00 RLast= 7.84D-01 DXMaxT set to 2.35D+00 ITU= 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00182 0.00236 0.00239 0.00252 0.00442 Eigenvalues --- 0.00495 0.01330 0.01451 0.01457 0.01612 Eigenvalues --- 0.01652 0.01699 0.01848 0.01930 0.02008 Eigenvalues --- 0.02040 0.02363 0.02574 0.02820 0.02892 Eigenvalues --- 0.03003 0.03749 0.04581 0.04596 0.04657 Eigenvalues --- 0.04956 0.04975 0.05073 0.05221 0.05468 Eigenvalues --- 0.05682 0.05738 0.05772 0.07774 0.08227 Eigenvalues --- 0.09142 0.09265 0.09332 0.09385 0.09497 Eigenvalues --- 0.09827 0.10816 0.12801 0.12944 0.15714 Eigenvalues --- 0.15997 0.16000 0.16000 0.16032 0.16156 Eigenvalues --- 0.17294 0.18063 0.19208 0.19862 0.21121 Eigenvalues --- 0.22037 0.22878 0.23846 0.24960 0.24993 Eigenvalues --- 0.25103 0.25131 0.27215 0.27293 0.27992 Eigenvalues --- 0.28146 0.28456 0.28506 0.28857 0.29939 Eigenvalues --- 0.33483 0.34364 0.34747 0.34780 0.34784 Eigenvalues --- 0.34793 0.34800 0.34810 0.34814 0.34820 Eigenvalues --- 0.34829 0.34833 0.34836 0.34857 0.34861 Eigenvalues --- 0.34899 0.35357 0.36546 0.37877 0.42843 Eigenvalues --- 0.44671 0.47554 0.49269 0.50402 0.55607 Eigenvalues --- 0.57290 0.60370 0.87855 0.96591 RFO step: Lambda=-7.99826673D-03 EMin= 1.82237909D-03 Quartic linear search produced a step of 1.27421. Iteration 1 RMS(Cart)= 0.14828086 RMS(Int)= 0.02639408 Iteration 2 RMS(Cart)= 0.03902629 RMS(Int)= 0.00397682 Iteration 3 RMS(Cart)= 0.00124217 RMS(Int)= 0.00389298 Iteration 4 RMS(Cart)= 0.00000343 RMS(Int)= 0.00389298 Iteration 5 RMS(Cart)= 0.00000003 RMS(Int)= 0.00389298 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87225 0.00043 -0.00091 0.00235 0.00145 2.87370 R2 2.63763 0.00096 -0.00978 0.00874 -0.00104 2.63659 R3 2.77085 -0.00120 -0.00098 -0.00186 -0.00284 2.76801 R4 2.03914 -0.00035 0.00174 -0.00208 -0.00034 2.03879 R5 2.04548 0.00014 0.00130 -0.00020 0.00110 2.04659 R6 2.05409 -0.00035 0.00117 -0.00177 -0.00060 2.05349 R7 2.05015 -0.00019 0.00096 -0.00127 -0.00031 2.04984 R8 1.79561 -0.00324 -0.03391 0.01967 -0.01424 1.78137 R9 2.26295 -0.00210 0.00122 -0.00356 -0.00234 2.26061 R10 2.62931 -0.00014 0.00552 -0.00278 0.00274 2.63205 R11 2.79180 -0.00251 0.00261 -0.00771 -0.00513 2.78666 R12 2.57660 -0.00081 -0.00149 -0.00166 -0.00312 2.57348 R13 1.89283 -0.00343 -0.00597 -0.00434 -0.01031 1.88252 R14 2.26874 -0.00140 0.00066 -0.00224 -0.00159 2.26716 R15 2.58535 -0.00059 0.00289 -0.00256 0.00036 2.58572 R16 2.60933 -0.00083 -0.00674 0.00163 -0.00510 2.60423 R17 2.52848 0.00100 0.00240 0.00111 0.00348 2.53196 R18 2.02032 -0.00185 0.00541 -0.00934 -0.00393 2.01638 R19 2.91979 0.00084 0.01486 -0.00313 0.01173 2.93152 R20 2.92327 0.00080 -0.01367 0.00511 -0.01346 2.90981 R21 2.91397 -0.00060 -0.03174 0.00950 -0.02788 2.88609 R22 2.05578 0.00031 -0.01733 0.01015 -0.00718 2.04860 R23 2.92390 -0.00079 -0.00810 0.00141 -0.00688 2.91702 R24 2.04834 0.00039 -0.00678 0.00513 -0.00165 2.04669 R25 2.04976 -0.00011 0.00776 -0.00404 0.00372 2.05348 R26 2.92185 -0.00008 -0.00809 0.00803 0.00538 2.92723 R27 2.04944 -0.00011 0.00389 -0.00228 0.00161 2.05105 R28 2.05053 -0.00024 0.00288 -0.00234 0.00054 2.05107 R29 2.92260 0.00008 -0.00852 0.00764 0.00470 2.92730 R30 2.04952 -0.00007 0.00334 -0.00190 0.00144 2.05097 R31 2.04962 -0.00007 0.00250 -0.00147 0.00102 2.05064 R32 2.92702 -0.00125 -0.00950 -0.00287 -0.01276 2.91426 R33 2.04934 -0.00002 0.00429 -0.00211 0.00218 2.05153 R34 2.05082 -0.00031 0.00289 -0.00254 0.00035 2.05116 R35 2.03065 0.00261 -0.00322 0.01171 0.00849 2.03914 R36 2.04767 -0.00067 0.00808 -0.00700 0.00109 2.04876 A1 1.94890 0.00049 0.00118 0.00659 0.00774 1.95663 A2 1.94890 -0.00064 0.00235 -0.00541 -0.00312 1.94577 A3 1.92548 0.00012 -0.00121 -0.00152 -0.00279 1.92268 A4 1.85088 0.00052 -0.01796 0.02209 0.00414 1.85501 A5 1.93219 -0.00034 0.00996 -0.00866 0.00133 1.93352 A6 1.85414 -0.00019 0.00559 -0.01348 -0.00789 1.84624 A7 1.92290 0.00045 -0.00227 0.00462 0.00234 1.92525 A8 1.92517 -0.00046 0.00143 -0.00380 -0.00237 1.92280 A9 1.92514 0.00017 -0.00007 0.00174 0.00167 1.92681 A10 1.88649 0.00000 -0.00021 -0.00049 -0.00070 1.88579 A11 1.91101 -0.00029 0.00180 -0.00268 -0.00088 1.91013 A12 1.89243 0.00012 -0.00064 0.00048 -0.00016 1.89228 A13 1.90741 0.00020 -0.00798 0.01038 0.00240 1.90981 A14 2.05286 0.00149 -0.00696 0.00791 0.00104 2.05390 A15 2.23855 -0.00172 0.01003 -0.01038 -0.00026 2.23828 A16 1.99174 0.00023 -0.00308 0.00245 -0.00081 1.99093 A17 2.25659 -0.00008 0.00684 -0.00399 0.00266 2.25925 A18 2.01258 -0.00006 -0.00762 0.00308 -0.00452 2.00806 A19 2.01400 0.00014 0.00076 0.00087 0.00164 2.01563 A20 2.14115 0.00050 0.00305 0.00116 0.00425 2.14539 A21 1.98542 0.00004 -0.00595 0.00367 -0.00238 1.98304 A22 2.15655 -0.00054 0.00283 -0.00469 -0.00182 2.15473 A23 2.05038 -0.00065 0.00773 -0.00828 -0.00055 2.04984 A24 2.12053 0.00058 -0.00824 0.00893 0.00071 2.12124 A25 2.11194 0.00006 0.00027 -0.00076 -0.00065 2.11128 A26 2.19916 -0.00048 0.00775 -0.00451 0.00302 2.20217 A27 1.96300 0.00052 -0.00341 0.00436 0.00101 1.96401 A28 2.12096 -0.00005 -0.00442 0.00018 -0.00418 2.11678 A29 2.02143 0.00022 -0.00544 0.00309 -0.00312 2.01831 A30 2.18277 -0.00408 0.01711 -0.02340 -0.00680 2.17597 A31 2.07809 0.00385 -0.01281 0.02068 0.00743 2.08552 A32 1.90545 0.00262 -0.01523 0.02623 0.00511 1.91056 A33 1.98586 -0.00180 -0.04346 0.01168 -0.03208 1.95378 A34 1.83943 -0.00061 0.03041 -0.01434 0.01328 1.85270 A35 2.00732 -0.00074 -0.09284 0.00682 -0.10811 1.89922 A36 1.85780 0.00000 0.07183 -0.01190 0.06706 1.92486 A37 1.85487 0.00054 0.08546 -0.02465 0.06770 1.92258 A38 2.06806 -0.00048 0.00425 -0.02858 -0.04366 2.02441 A39 1.91246 -0.00080 -0.02670 -0.00134 -0.02142 1.89103 A40 1.85380 0.00182 0.01128 0.03460 0.05111 1.90491 A41 1.91154 0.00076 0.01694 -0.00079 0.01863 1.93017 A42 1.86015 -0.00117 -0.01169 0.00318 0.00019 1.86034 A43 1.84343 -0.00008 0.00669 -0.00321 0.00104 1.84447 A44 2.07755 0.00043 -0.01643 0.00175 -0.02516 2.05239 A45 1.88056 -0.00057 0.00278 -0.00378 0.00178 1.88234 A46 1.88434 -0.00012 0.00803 -0.00377 0.00768 1.89202 A47 1.88204 0.00022 0.02052 0.00538 0.02884 1.91088 A48 1.89231 -0.00016 -0.00984 -0.00220 -0.00867 1.88364 A49 1.83220 0.00019 -0.00379 0.00292 -0.00224 1.82996 A50 2.07143 -0.00081 -0.01824 -0.00054 -0.02319 2.04825 A51 1.87007 0.00009 0.01800 -0.00025 0.01906 1.88913 A52 1.90015 0.00034 -0.00623 -0.00054 -0.00593 1.89422 A53 1.87009 0.00033 0.01802 0.00251 0.02260 1.89269 A54 1.90459 0.00020 -0.00647 -0.00121 -0.00761 1.89697 A55 1.83263 -0.00008 -0.00195 0.00022 -0.00216 1.83046 A56 2.09026 0.00032 -0.01953 -0.00273 -0.03392 2.05634 A57 1.87145 0.00044 0.02299 0.00717 0.03430 1.90575 A58 1.89530 -0.00017 -0.01050 0.00035 -0.00736 1.88794 A59 1.86860 -0.00040 0.00387 -0.00075 0.00703 1.87563 A60 1.89093 -0.00037 0.00972 -0.00716 0.00549 1.89642 A61 1.83048 0.00018 -0.00467 0.00436 -0.00185 1.82864 A62 2.04640 0.00004 0.00408 -0.02623 -0.04556 2.00085 A63 1.94099 -0.00158 -0.02726 -0.00659 -0.02668 1.91431 A64 1.83934 0.00202 0.01251 0.03892 0.05885 1.89819 A65 1.90765 0.00138 0.02786 -0.00621 0.02725 1.93490 A66 1.87965 -0.00170 -0.01883 0.00853 -0.00212 1.87754 A67 1.83581 -0.00021 0.00018 -0.00371 -0.00640 1.82941 D1 -3.11301 -0.00023 0.00728 -0.01304 -0.00576 -3.11877 D2 1.08887 -0.00023 0.00807 -0.01295 -0.00488 1.08399 D3 -1.00123 -0.00018 0.00800 -0.01224 -0.00424 -1.00547 D4 -1.04404 0.00033 -0.01314 0.01573 0.00258 -1.04146 D5 -3.12534 0.00033 -0.01235 0.01582 0.00346 -3.12188 D6 1.06774 0.00037 -0.01242 0.01653 0.00410 1.07185 D7 1.01365 -0.00023 -0.00549 -0.00546 -0.01094 1.00271 D8 -1.06765 -0.00022 -0.00470 -0.00537 -0.01006 -1.07772 D9 3.12543 -0.00018 -0.00477 -0.00466 -0.00942 3.11601 D10 -1.09243 -0.00012 -0.00363 0.00487 0.00126 -1.09117 D11 3.06421 0.00003 0.00450 -0.00663 -0.00219 3.06203 D12 1.06029 0.00013 0.00280 0.00134 0.00418 1.06447 D13 1.51141 -0.00010 0.02680 0.00135 0.02817 1.53958 D14 -1.60252 0.00007 0.03832 0.00560 0.04391 -1.55861 D15 -2.64524 0.00046 0.01794 0.02053 0.03850 -2.60673 D16 0.52402 0.00064 0.02945 0.02479 0.05424 0.57826 D17 -0.58861 0.00023 0.02345 0.01478 0.03822 -0.55039 D18 2.58065 0.00041 0.03496 0.01904 0.05396 2.63461 D19 3.13224 -0.00040 -0.02138 -0.01055 -0.03214 3.10010 D20 -0.00309 -0.00016 -0.01176 -0.00153 -0.01344 -0.01653 D21 -0.00155 -0.00036 -0.02058 -0.00812 -0.02881 -0.03036 D22 -3.13688 -0.00013 -0.01096 0.00090 -0.01011 3.13620 D23 -3.12835 0.00054 0.04332 0.00321 0.04638 -3.08197 D24 -0.03302 0.00026 -0.00967 0.01325 0.00341 -0.02961 D25 0.00444 0.00052 0.04232 0.00057 0.04263 0.04707 D26 3.09977 0.00024 -0.01067 0.01061 -0.00034 3.09943 D27 -3.12334 0.00001 0.00413 0.00058 0.00479 -3.11854 D28 0.00536 0.00014 -0.00231 0.01203 0.00975 0.01511 D29 0.01199 -0.00022 -0.00549 -0.00844 -0.01400 -0.00201 D30 3.14069 -0.00009 -0.01193 0.00301 -0.00904 3.13165 D31 -3.12627 0.00007 0.01450 -0.00441 0.01018 -3.11609 D32 -0.01220 -0.00010 0.00294 -0.00848 -0.00545 -0.01764 D33 0.00230 0.00021 0.00800 0.00721 0.01521 0.01751 D34 3.11637 0.00004 -0.00356 0.00314 -0.00041 3.11596 D35 3.13023 0.00015 0.01230 -0.00220 0.01019 3.14042 D36 -0.02382 0.00008 -0.00035 0.00044 0.00005 -0.02377 D37 0.01727 0.00035 0.02415 0.00231 0.02648 0.04375 D38 -3.13677 0.00028 0.01150 0.00496 0.01633 -3.12044 D39 -0.01249 -0.00056 -0.04696 0.00188 -0.04509 -0.05757 D40 -3.11075 -0.00008 0.00258 -0.00631 -0.00411 -3.11487 D41 -3.14058 -0.00049 -0.03325 -0.00101 -0.03416 3.10845 D42 0.04434 -0.00001 0.01628 -0.00920 0.00681 0.05115 D43 2.43774 0.00030 -0.01615 0.03777 0.01566 2.45341 D44 0.16932 0.00052 0.17492 -0.00391 0.17667 0.34600 D45 -1.85594 0.00119 0.07433 0.02881 0.10357 -1.75237 D46 -0.75150 -0.00008 -0.07070 0.04763 -0.02911 -0.78061 D47 -3.01992 0.00014 0.12037 0.00595 0.13189 -2.88803 D48 1.23800 0.00080 0.01978 0.03867 0.05879 1.29679 D49 -2.89347 -0.00092 -0.06829 -0.11210 -0.17847 -3.07195 D50 -0.68345 -0.00100 -0.06576 -0.13868 -0.20645 -0.88990 D51 1.30000 -0.00053 -0.06465 -0.12521 -0.18947 1.11053 D52 -0.63681 -0.00170 -0.23811 -0.06701 -0.29489 -0.93169 D53 1.57322 -0.00178 -0.23557 -0.09359 -0.32286 1.25036 D54 -2.72652 -0.00130 -0.23446 -0.08011 -0.30588 -3.03240 D55 1.41217 -0.00145 -0.13167 -0.10183 -0.23316 1.17901 D56 -2.66099 -0.00152 -0.12913 -0.12841 -0.26113 -2.92212 D57 -0.67754 -0.00105 -0.12802 -0.11494 -0.24415 -0.92169 D58 2.88848 0.00313 0.09019 0.13322 0.22534 3.11381 D59 0.67584 0.00261 0.07234 0.17100 0.24825 0.92409 D60 -1.30451 0.00250 0.07798 0.15732 0.23719 -1.06732 D61 0.67211 0.00171 0.25777 0.07895 0.32772 0.99983 D62 -1.54053 0.00119 0.23992 0.11673 0.35063 -1.18990 D63 2.76231 0.00108 0.24556 0.10305 0.33957 3.10188 D64 -1.37852 0.00177 0.15862 0.10654 0.26624 -1.11228 D65 2.69203 0.00124 0.14077 0.14433 0.28915 2.98118 D66 0.71168 0.00113 0.14640 0.13064 0.27809 0.98977 D67 0.22591 0.00049 0.08139 -0.00021 0.08077 0.30668 D68 2.37361 0.00060 0.09968 0.00513 0.10275 2.47636 D69 -1.93919 0.00048 0.10052 0.00483 0.10477 -1.83443 D70 -1.98456 0.00131 0.09967 0.02661 0.12936 -1.85520 D71 0.16315 0.00142 0.11797 0.03195 0.15133 0.31448 D72 2.13353 0.00130 0.11880 0.03165 0.15335 2.28688 D73 2.31234 0.00164 0.08970 0.02908 0.11892 2.43126 D74 -1.82314 0.00176 0.10800 0.03442 0.14089 -1.68225 D75 0.14724 0.00164 0.10883 0.03412 0.14291 0.29015 D76 0.15238 0.00086 0.07427 0.04622 0.11865 0.27103 D77 2.27066 0.00082 0.10072 0.04898 0.14820 2.41885 D78 -2.03921 0.00093 0.10455 0.04885 0.15238 -1.88683 D79 -1.99460 0.00113 0.06467 0.04539 0.11030 -1.88430 D80 0.12368 0.00109 0.09112 0.04816 0.13984 0.26353 D81 2.09700 0.00120 0.09495 0.04803 0.14403 2.24103 D82 2.31359 0.00088 0.06356 0.04040 0.10281 2.41640 D83 -1.85132 0.00084 0.09001 0.04317 0.13236 -1.71896 D84 0.12200 0.00095 0.09384 0.04304 0.13654 0.25854 D85 -0.11218 -0.00102 -0.05460 -0.03482 -0.08955 -0.20172 D86 2.01861 -0.00094 -0.04326 -0.03159 -0.07554 1.94307 D87 -2.29538 -0.00060 -0.04218 -0.02282 -0.06416 -2.35954 D88 -2.23044 -0.00085 -0.08104 -0.03619 -0.11728 -2.34773 D89 -0.09965 -0.00077 -0.06971 -0.03296 -0.10328 -0.20293 D90 1.86954 -0.00043 -0.06862 -0.02419 -0.09190 1.77764 D91 2.07727 -0.00102 -0.08486 -0.03714 -0.12253 1.95474 D92 -2.07512 -0.00095 -0.07352 -0.03391 -0.10853 -2.18365 D93 -0.10593 -0.00060 -0.07244 -0.02514 -0.09714 -0.20307 D94 -0.30580 -0.00042 -0.12355 -0.02116 -0.14250 -0.44831 D95 1.92302 -0.00133 -0.13278 -0.05819 -0.19241 1.73061 D96 -2.37453 -0.00178 -0.12813 -0.06121 -0.18721 -2.56175 D97 -2.43800 -0.00090 -0.14421 -0.02828 -0.17028 -2.60828 D98 -0.20917 -0.00182 -0.15343 -0.06531 -0.22018 -0.42936 D99 1.77646 -0.00226 -0.14878 -0.06832 -0.21499 1.56147 D100 1.87947 -0.00074 -0.14523 -0.02957 -0.17423 1.70524 D101 -2.17489 -0.00166 -0.15446 -0.06660 -0.22413 -2.39902 D102 -0.18926 -0.00210 -0.14981 -0.06962 -0.21894 -0.40820 Item Value Threshold Converged? Maximum Force 0.004080 0.000450 NO RMS Force 0.001068 0.000300 NO Maximum Displacement 0.991951 0.001800 NO RMS Displacement 0.169905 0.001200 NO Predicted change in Energy=-1.174501D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.841521 -5.117502 2.004585 2 6 0 7.252671 -4.939282 3.457756 3 8 0 6.401400 -6.414518 1.738708 4 8 0 2.825688 -1.642811 0.772624 5 6 0 3.612478 -2.503183 1.040510 6 7 0 4.966904 -2.202103 0.918758 7 6 0 6.053395 -2.974034 1.198468 8 8 0 7.180726 -2.584188 1.070045 9 7 0 5.734948 -4.226881 1.647040 10 6 0 4.420833 -4.611239 1.803652 11 6 0 3.340968 -3.874633 1.509517 12 1 0 7.657262 -4.848675 1.351678 13 1 0 7.566848 -3.918469 3.637022 14 1 0 8.086583 -5.594635 3.694256 15 1 0 5.167001 -1.280384 0.598155 16 1 0 4.327690 -5.605599 2.179299 17 6 0 1.926473 -4.450337 1.782057 18 1 0 6.426791 -5.183939 4.117073 19 1 0 7.106871 -7.021703 1.887845 20 6 0 1.863952 -5.909883 1.295417 21 6 0 0.488666 -6.601880 1.407218 22 6 0 -0.756914 -5.698247 1.584564 23 6 0 -0.592656 -4.190128 1.271221 24 6 0 0.837357 -3.647719 1.073443 25 1 0 1.784483 -4.405757 2.855867 26 1 0 2.226205 -5.944974 0.275336 27 1 0 2.560786 -6.509022 1.875307 28 1 0 0.359373 -7.228680 0.530617 29 1 0 0.520452 -7.294567 2.242216 30 1 0 -1.554334 -6.093179 0.963210 31 1 0 -1.118060 -5.804602 2.602317 32 1 0 -1.159658 -3.947444 0.377808 33 1 0 -1.071552 -3.625390 2.064875 34 1 0 1.073947 -3.561522 0.024169 35 1 0 0.855905 -2.629890 1.446369 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520695 0.000000 3 O 1.395223 2.419940 0.000000 4 O 5.451434 6.137984 6.040549 0.000000 5 C 4.265071 5.002866 4.854288 1.196261 0.000000 6 N 3.632184 4.377601 4.524879 2.217875 1.392818 7 C 2.421864 3.225655 3.499985 3.517327 2.490929 8 O 2.721416 3.354521 3.965588 4.465535 3.569289 9 N 1.464770 2.467731 2.288738 3.988209 2.800695 10 C 2.481211 3.295904 2.679306 3.524070 2.383217 11 C 3.747491 4.497837 3.983691 2.406149 1.474639 12 H 1.078882 2.146501 2.044222 5.827261 4.685983 13 H 2.151425 1.083006 3.345463 5.988489 4.937809 14 H 2.152399 1.086659 2.708545 7.199296 6.051203 15 H 4.416508 5.090666 5.402216 2.375613 2.026686 16 H 2.566732 3.260974 2.269085 4.465248 3.381325 17 C 4.965112 5.604946 4.887214 3.116047 2.680283 18 H 2.153839 1.084727 2.677983 6.057464 4.957021 19 H 1.926141 2.611964 0.942659 6.964534 5.774582 20 C 5.089890 5.886940 4.586894 4.405242 3.837698 21 C 6.551259 7.260903 5.924983 5.518764 5.166430 22 C 7.632162 8.260649 7.195712 5.471823 5.440222 23 C 7.527606 8.178712 7.354134 4.292144 4.536757 24 C 6.251182 6.964865 6.249507 2.839649 3.002057 25 H 5.177345 5.527024 5.157430 3.613569 3.202636 26 H 4.997615 6.033621 4.449066 4.372103 3.788558 27 H 4.503081 5.194422 3.844205 4.996608 4.224889 28 H 6.974805 7.831159 6.215178 6.110910 5.759602 29 H 6.689694 7.235170 5.967710 6.278230 5.827700 30 H 8.516266 9.225918 7.999897 6.247134 6.292057 31 H 8.011513 8.458706 7.593426 6.018424 5.976337 32 H 8.248291 9.013163 8.068959 4.620627 5.029746 33 H 8.052749 8.541611 7.983147 4.559497 4.924308 34 H 6.293492 7.201693 6.281798 2.703745 2.932094 35 H 6.505953 7.092079 6.720222 2.303975 2.789170 6 7 8 9 10 6 N 0.000000 7 C 1.361829 0.000000 8 O 2.251640 1.199728 0.000000 9 N 2.284734 1.368302 2.263103 0.000000 10 C 2.623959 2.389967 3.502017 1.378098 0.000000 11 C 2.406246 2.874907 4.074570 2.423660 1.339855 12 H 3.798656 2.471870 2.331160 2.041852 3.276450 13 H 4.134559 3.021430 2.918693 2.722316 3.706560 14 H 5.380061 4.150947 4.095101 3.404708 4.240185 15 H 0.996189 2.003627 2.444928 3.178768 3.620025 16 H 3.685287 3.296244 4.301068 2.040720 1.067024 17 C 3.878668 4.421712 5.621090 3.817413 2.499638 18 H 4.609971 3.679859 4.075721 2.737822 3.115088 19 H 5.361635 4.238948 4.512848 3.122690 3.610018 20 C 4.849517 5.116643 6.275279 4.235651 2.912459 21 C 6.296924 6.646131 7.812759 5.763819 4.425127 22 C 6.740060 7.345115 8.542144 6.656808 5.295154 23 C 5.914828 6.756788 7.940087 6.338861 5.059238 24 C 4.378001 5.260849 6.431908 4.964961 3.781915 25 H 4.328543 4.797959 5.968811 4.135146 2.846001 26 H 4.683429 4.932144 6.039348 4.140615 2.988477 27 H 5.025330 5.015234 6.115277 3.916067 2.658287 28 H 6.829823 7.139323 8.270015 6.257316 4.996707 29 H 6.888807 7.097174 8.241414 6.079137 4.754531 30 H 7.594010 8.225688 9.414122 7.555416 6.213301 31 H 7.269055 7.836624 9.032651 7.096864 5.722003 32 H 6.393246 7.324557 8.479366 7.016026 5.797890 33 H 6.308905 7.206927 8.376985 6.845789 5.586272 34 H 4.219411 5.149663 6.272304 4.980095 3.933207 35 H 4.166736 5.214767 6.336171 5.137675 4.094155 11 12 13 14 15 11 C 0.000000 12 H 4.427647 0.000000 13 H 4.731412 2.469059 0.000000 14 H 5.500214 2.495685 1.755828 0.000000 15 H 3.300773 4.416096 4.685453 6.059915 0.000000 16 H 2.102016 3.513394 3.932367 4.052714 4.681020 17 C 1.551294 5.760715 5.961343 6.550792 4.685216 18 H 4.246874 3.045303 1.769630 1.761350 5.404406 19 H 4.922318 2.304876 3.591832 2.501895 6.195898 20 C 2.523818 5.889971 6.478569 6.676446 5.729622 21 C 3.947654 7.380080 7.891349 7.998339 7.131600 22 C 4.485960 8.460163 8.755867 9.092248 7.455420 23 C 3.953445 8.276551 8.499901 9.119919 6.487933 24 C 2.551415 6.930427 7.206337 7.950498 4.957418 25 H 2.125417 6.078510 5.855202 6.467827 5.129001 26 H 2.655600 5.644179 6.627980 6.793805 5.523667 27 H 2.771731 5.385630 5.905528 5.888897 5.980145 28 H 4.593233 7.719958 8.517919 8.508143 7.648534 29 H 4.493118 7.596677 7.936953 7.889520 7.775844 30 H 5.402257 9.303396 9.750620 10.032668 8.274817 31 H 4.980153 8.915390 8.947387 9.271562 7.999200 32 H 4.641303 8.916205 9.315321 9.960172 6.869379 33 H 4.454310 8.842922 8.785186 9.508115 6.824212 34 H 2.728311 6.838061 7.438944 8.171912 4.720820 35 H 2.780092 7.154748 7.176082 8.131753 4.596322 16 17 18 19 20 16 H 0.000000 17 C 2.694119 0.000000 18 H 2.887732 5.122825 0.000000 19 H 3.132754 5.784432 2.968054 0.000000 20 C 2.635116 1.539806 5.413708 5.392153 0.000000 21 C 4.040642 2.614753 6.679462 6.648902 1.543623 22 C 5.120106 2.965948 7.634378 7.980140 2.645248 23 C 5.199805 2.583539 7.639318 8.226832 2.998845 24 C 4.151944 1.527254 6.547170 7.166159 2.494105 25 H 2.892277 1.084073 4.873113 6.008998 2.168804 26 H 2.855957 2.143360 5.743087 5.251708 1.083063 27 H 2.007619 2.156208 4.661261 4.574920 1.086654 28 H 4.593483 3.426528 7.338747 6.885757 2.141940 29 H 4.165529 3.205977 6.546349 6.601587 2.149132 30 H 6.026177 3.935156 8.629712 8.759771 3.439279 31 H 5.465779 3.431624 7.720395 8.345137 3.257525 32 H 6.008813 3.427684 8.547820 8.948005 3.719596 33 H 5.752055 3.122287 7.928792 8.857364 3.798442 34 H 4.405642 2.146384 6.930876 7.200161 2.784777 35 H 4.630909 2.138417 6.685103 7.652287 3.434720 21 22 23 24 25 21 C 0.000000 22 C 1.549024 0.000000 23 C 2.646564 1.549060 0.000000 24 C 2.993336 2.647189 1.542161 0.000000 25 H 2.932692 3.121769 2.865029 2.156086 0.000000 26 H 2.175252 3.267101 3.466591 2.800582 3.037013 27 H 2.126361 3.427684 3.960604 3.435149 2.447011 28 H 1.085368 2.167747 3.269198 3.653275 3.925127 29 H 1.085379 2.147652 3.437933 3.842651 3.212408 30 H 2.151689 1.085325 2.154367 3.422369 4.192522 31 H 2.155339 1.085154 2.157404 3.288352 3.231998 32 H 3.289785 2.164203 1.085621 2.135839 3.875409 33 H 3.424367 2.150914 1.085430 2.151132 3.064569 34 H 3.391040 3.217526 2.174362 1.079065 3.039097 35 H 3.989123 3.469164 2.136200 1.084155 2.450030 26 27 28 29 30 26 H 0.000000 27 H 1.729162 0.000000 28 H 2.279941 2.678119 0.000000 29 H 2.932509 2.216904 1.720424 0.000000 30 H 3.845466 4.235452 2.266886 2.717338 0.000000 31 H 4.076599 3.815581 2.915948 2.243746 1.720548 32 H 3.932517 4.758769 3.619021 4.183542 2.258903 33 H 4.411137 4.641675 4.169556 4.003597 2.745310 34 H 2.659253 3.784859 3.770299 4.377409 3.768148 35 H 3.773437 4.258905 4.715296 4.743956 4.247006 31 32 33 34 35 31 H 0.000000 32 H 2.898139 0.000000 33 H 2.244988 1.719790 0.000000 34 H 4.059945 2.294119 2.961710 0.000000 35 H 3.912998 2.634438 2.255807 1.714099 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.077252 -1.245967 -0.124313 2 6 0 3.626533 -1.510594 1.268804 3 8 0 2.457052 -2.371888 -0.666809 4 8 0 -0.558028 2.812482 0.054182 5 6 0 0.133820 1.838203 -0.002096 6 7 0 1.500569 2.025416 -0.194171 7 6 0 2.500799 1.102927 -0.250103 8 8 0 3.653649 1.399412 -0.399711 9 7 0 2.065640 -0.186730 -0.109852 10 6 0 0.731162 -0.467125 0.089406 11 6 0 -0.268155 0.424808 0.121563 12 1 0 3.863388 -0.892094 -0.772966 13 1 0 4.080323 -0.613109 1.670670 14 1 0 4.388140 -2.284745 1.230431 15 1 0 1.787700 2.975046 -0.284451 16 1 0 0.545193 -1.511828 0.201429 17 6 0 -1.716320 -0.060307 0.393581 18 1 0 2.833942 -1.842065 1.931043 19 1 0 3.090500 -3.063493 -0.761844 20 6 0 -2.001951 -1.319265 -0.445731 21 6 0 -3.439294 -1.875950 -0.362550 22 6 0 -4.542369 -0.935722 0.183957 23 6 0 -4.216342 0.576864 0.257289 24 6 0 -2.750827 1.008270 0.046535 25 1 0 -1.762108 -0.295118 1.450927 26 1 0 -1.732766 -1.111761 -1.474082 27 1 0 -1.340337 -2.119262 -0.124659 28 1 0 -3.718553 -2.225206 -1.351519 29 1 0 -3.425768 -2.768934 0.254250 30 1 0 -5.431836 -1.066165 -0.424125 31 1 0 -4.828436 -1.278113 1.173145 32 1 0 -4.820397 1.107887 -0.471891 33 1 0 -4.553013 0.949432 1.219580 34 1 0 -2.593043 1.352251 -0.963991 35 1 0 -2.573624 1.879584 0.666861 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8171175 0.2789260 0.2184018 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1271.0630816183 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.90D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999998 -0.000969 0.000093 0.001732 Ang= -0.23 deg. 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) = -798.408902202 A.U. after 13 cycles NFock= 13 Conv=0.81D-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 0.000078263 0.002175709 -0.000681556 2 6 0.000040186 -0.000924855 0.000147593 3 8 -0.004423152 0.003041405 -0.000702694 4 8 0.000020584 -0.000008051 -0.000027850 5 6 0.000334490 -0.000299696 0.000706285 6 7 -0.001189290 -0.000866958 -0.000717187 7 6 0.000091176 -0.000785516 -0.000401671 8 8 -0.000306982 0.000694611 0.000152440 9 7 0.000674643 -0.000015121 0.000189131 10 6 -0.000545440 -0.000723946 -0.001045310 11 6 0.001991855 -0.002293111 0.007335820 12 1 -0.000177379 -0.000400565 0.000398294 13 1 -0.000186429 -0.000181228 -0.000157495 14 1 -0.000123455 0.000018429 0.000069855 15 1 0.000653476 0.001915131 -0.000498040 16 1 0.000149676 0.000035094 0.000126050 17 6 0.010716446 0.002878633 -0.014473013 18 1 0.000072565 0.000167344 0.000176407 19 1 0.004058385 -0.003558981 0.000882796 20 6 0.002882038 -0.003900401 0.009942786 21 6 -0.001780822 -0.000543579 -0.000365465 22 6 0.000174093 0.000099263 -0.001490355 23 6 -0.001245372 -0.001038398 -0.002440324 24 6 -0.006768643 0.010662778 0.011593773 25 1 -0.005930931 -0.001435916 0.002011984 26 1 -0.001903062 0.002341463 -0.002379319 27 1 -0.000294044 -0.000495706 -0.003076062 28 1 0.000010477 0.001045131 -0.000584803 29 1 -0.000639834 0.000482599 0.000344091 30 1 -0.000126762 -0.000341240 0.000951496 31 1 0.002137178 0.001005776 0.000682433 32 1 0.000287501 -0.000226541 -0.000146233 33 1 0.000982198 -0.000759195 0.001108432 34 1 0.001218368 -0.004492546 -0.004328314 35 1 -0.000932000 -0.003271816 -0.003303976 ------------------------------------------------------------------- Cartesian Forces: Max 0.014473013 RMS 0.003154313 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005469309 RMS 0.001103665 Search for a local minimum. Step number 6 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 DE= -1.10D-02 DEPred=-1.17D-02 R= 9.38D-01 TightC=F SS= 1.41D+00 RLast= 1.48D+00 DXNew= 3.9555D+00 4.4379D+00 Trust test= 9.38D-01 RLast= 1.48D+00 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00228 0.00238 0.00265 0.00332 0.00442 Eigenvalues --- 0.00496 0.01353 0.01454 0.01457 0.01668 Eigenvalues --- 0.01689 0.01802 0.01864 0.01931 0.02015 Eigenvalues --- 0.02041 0.02370 0.02574 0.02970 0.03097 Eigenvalues --- 0.03250 0.04364 0.04568 0.04608 0.04647 Eigenvalues --- 0.05024 0.05042 0.05130 0.05338 0.05406 Eigenvalues --- 0.05600 0.05665 0.05745 0.07233 0.08207 Eigenvalues --- 0.08721 0.08840 0.09111 0.09160 0.09174 Eigenvalues --- 0.09369 0.10186 0.12508 0.12769 0.15529 Eigenvalues --- 0.15835 0.15997 0.16002 0.16018 0.16035 Eigenvalues --- 0.16165 0.18057 0.18317 0.19971 0.20100 Eigenvalues --- 0.21851 0.22852 0.23834 0.24940 0.24998 Eigenvalues --- 0.25090 0.25210 0.26906 0.27266 0.27748 Eigenvalues --- 0.28016 0.28447 0.28521 0.28809 0.29936 Eigenvalues --- 0.33465 0.34355 0.34744 0.34780 0.34785 Eigenvalues --- 0.34792 0.34800 0.34810 0.34819 0.34822 Eigenvalues --- 0.34831 0.34835 0.34857 0.34859 0.34896 Eigenvalues --- 0.34967 0.35407 0.36479 0.37793 0.42820 Eigenvalues --- 0.44605 0.47558 0.49150 0.50383 0.55399 Eigenvalues --- 0.57603 0.60140 0.87834 0.96580 RFO step: Lambda=-3.74488867D-03 EMin= 2.28039831D-03 Quartic linear search produced a step of 0.35959. Iteration 1 RMS(Cart)= 0.10281396 RMS(Int)= 0.00530847 Iteration 2 RMS(Cart)= 0.00730395 RMS(Int)= 0.00143898 Iteration 3 RMS(Cart)= 0.00002480 RMS(Int)= 0.00143885 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00143885 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87370 0.00006 0.00052 -0.00014 0.00038 2.87407 R2 2.63659 0.00056 -0.00037 0.00012 -0.00026 2.63633 R3 2.76801 -0.00067 -0.00102 -0.00252 -0.00354 2.76447 R4 2.03879 -0.00047 -0.00012 -0.00095 -0.00107 2.03772 R5 2.04659 -0.00025 0.00040 -0.00060 -0.00020 2.04638 R6 2.05349 -0.00009 -0.00022 0.00008 -0.00014 2.05335 R7 2.04984 0.00001 -0.00011 0.00050 0.00038 2.05022 R8 1.78137 0.00547 -0.00512 0.00883 0.00370 1.78507 R9 2.26061 -0.00001 -0.00084 0.00212 0.00128 2.26189 R10 2.63205 -0.00057 0.00099 -0.00159 -0.00061 2.63144 R11 2.78666 0.00011 -0.00185 -0.00051 -0.00236 2.78430 R12 2.57348 0.00024 -0.00112 0.00189 0.00078 2.57426 R13 1.88252 0.00206 -0.00371 0.00723 0.00352 1.88604 R14 2.26716 -0.00008 -0.00057 0.00102 0.00045 2.26760 R15 2.58572 0.00067 0.00013 0.00201 0.00216 2.58787 R16 2.60423 0.00028 -0.00183 0.00007 -0.00176 2.60247 R17 2.53196 -0.00065 0.00125 -0.00172 -0.00048 2.53148 R18 2.01638 -0.00000 -0.00141 0.00232 0.00091 2.01729 R19 2.93152 -0.00069 0.00422 -0.00331 0.00090 2.93242 R20 2.90981 0.00084 -0.00484 0.00260 -0.00362 2.90619 R21 2.88609 0.00437 -0.01003 0.01645 0.00458 2.89068 R22 2.04860 0.00271 -0.00258 0.00741 0.00483 2.05343 R23 2.91702 0.00075 -0.00247 0.00187 -0.00064 2.91638 R24 2.04669 0.00153 -0.00059 0.00435 0.00375 2.05045 R25 2.05348 -0.00156 0.00134 -0.00470 -0.00336 2.05011 R26 2.92723 -0.00190 0.00194 -0.00961 -0.00603 2.92120 R27 2.05105 -0.00013 0.00058 0.00007 0.00064 2.05169 R28 2.05107 -0.00006 0.00019 0.00035 0.00054 2.05161 R29 2.92730 -0.00184 0.00169 -0.00802 -0.00458 2.92272 R30 2.05097 -0.00033 0.00052 -0.00067 -0.00015 2.05082 R31 2.05064 -0.00017 0.00037 -0.00019 0.00018 2.05082 R32 2.91426 -0.00070 -0.00459 -0.00071 -0.00546 2.90880 R33 2.05153 -0.00008 0.00078 0.00018 0.00096 2.05249 R34 2.05116 -0.00002 0.00012 0.00054 0.00066 2.05183 R35 2.03914 0.00412 0.00305 0.01217 0.01523 2.05436 R36 2.04876 -0.00422 0.00039 -0.01282 -0.01243 2.03632 A1 1.95663 -0.00052 0.00278 -0.00814 -0.00537 1.95126 A2 1.94577 0.00061 -0.00112 0.00434 0.00315 1.94892 A3 1.92268 -0.00001 -0.00100 0.00419 0.00315 1.92584 A4 1.85501 -0.00038 0.00149 -0.01327 -0.01179 1.84322 A5 1.93352 0.00019 0.00048 0.00386 0.00437 1.93789 A6 1.84624 0.00015 -0.00284 0.00957 0.00672 1.85296 A7 1.92525 -0.00030 0.00084 -0.00346 -0.00262 1.92263 A8 1.92280 0.00012 -0.00085 0.00146 0.00061 1.92341 A9 1.92681 0.00032 0.00060 0.00184 0.00244 1.92925 A10 1.88579 0.00009 -0.00025 0.00105 0.00079 1.88658 A11 1.91013 -0.00010 -0.00032 -0.00078 -0.00110 1.90903 A12 1.89228 -0.00014 -0.00006 -0.00007 -0.00013 1.89215 A13 1.90981 0.00008 0.00086 -0.00413 -0.00327 1.90654 A14 2.05390 -0.00034 0.00037 0.00015 0.00054 2.05444 A15 2.23828 -0.00031 -0.00009 -0.00235 -0.00244 2.23585 A16 1.99093 0.00065 -0.00029 0.00230 0.00196 1.99289 A17 2.25925 -0.00070 0.00096 -0.00370 -0.00281 2.25644 A18 2.00806 0.00058 -0.00163 0.00343 0.00177 2.00983 A19 2.01563 0.00012 0.00059 0.00010 0.00066 2.01629 A20 2.14539 -0.00082 0.00153 -0.00483 -0.00333 2.14207 A21 1.98304 0.00012 -0.00086 0.00054 -0.00036 1.98268 A22 2.15473 0.00070 -0.00065 0.00419 0.00351 2.15824 A23 2.04984 0.00119 -0.00020 0.00759 0.00739 2.05723 A24 2.12124 -0.00139 0.00025 -0.00986 -0.00961 2.11162 A25 2.11128 0.00020 -0.00023 0.00257 0.00230 2.11359 A26 2.20217 -0.00048 0.00109 -0.00390 -0.00287 2.19930 A27 1.96401 0.00009 0.00036 0.00055 0.00093 1.96494 A28 2.11678 0.00040 -0.00150 0.00349 0.00200 2.11878 A29 2.01831 0.00021 -0.00112 0.00285 0.00156 2.01986 A30 2.17597 -0.00193 -0.00244 -0.01070 -0.01324 2.16272 A31 2.08552 0.00175 0.00267 0.01006 0.01264 2.09816 A32 1.91056 -0.00017 0.00184 0.01643 0.01958 1.93015 A33 1.95378 0.00344 -0.01154 0.04361 0.03449 1.98827 A34 1.85270 -0.00013 0.00477 0.00814 0.01137 1.86407 A35 1.89922 -0.00020 -0.03887 0.00139 -0.04541 1.85380 A36 1.92486 -0.00072 0.02411 -0.02991 -0.00471 1.92015 A37 1.92258 -0.00224 0.02435 -0.04031 -0.01497 1.90761 A38 2.02441 -0.00067 -0.01570 -0.00258 -0.02592 1.99849 A39 1.89103 -0.00126 -0.00770 -0.02412 -0.03038 1.86066 A40 1.90491 0.00195 0.01838 0.02548 0.04650 1.95141 A41 1.93017 0.00072 0.00670 -0.01042 -0.00402 1.92615 A42 1.86034 -0.00076 0.00007 0.00712 0.01060 1.87093 A43 1.84447 0.00016 0.00037 0.00700 0.00676 1.85123 A44 2.05239 0.00078 -0.00905 -0.00311 -0.01708 2.03531 A45 1.88234 0.00036 0.00064 0.00590 0.00779 1.89013 A46 1.89202 -0.00058 0.00276 -0.00078 0.00358 1.89560 A47 1.91088 -0.00078 0.01037 -0.00501 0.00716 1.91804 A48 1.88364 -0.00035 -0.00312 -0.00430 -0.00628 1.87737 A49 1.82996 0.00056 -0.00081 0.00877 0.00727 1.83723 A50 2.04825 0.00081 -0.00834 0.00250 -0.00817 2.04007 A51 1.88913 -0.00029 0.00685 -0.00017 0.00776 1.89689 A52 1.89422 -0.00057 -0.00213 -0.00670 -0.00878 1.88544 A53 1.89269 -0.00031 0.00813 0.00261 0.01184 1.90453 A54 1.89697 -0.00017 -0.00274 -0.00535 -0.00806 1.88892 A55 1.83046 0.00052 -0.00078 0.00795 0.00694 1.83741 A56 2.05634 0.00024 -0.01220 -0.00114 -0.01869 2.03765 A57 1.90575 -0.00050 0.01233 0.00190 0.01660 1.92235 A58 1.88794 0.00002 -0.00265 -0.00910 -0.01133 1.87660 A59 1.87563 0.00047 0.00253 0.01242 0.01641 1.89204 A60 1.89642 -0.00074 0.00197 -0.01273 -0.00939 1.88703 A61 1.82864 0.00056 -0.00066 0.01019 0.00891 1.83755 A62 2.00085 -0.00015 -0.01638 -0.00347 -0.02859 1.97225 A63 1.91431 -0.00160 -0.00959 -0.02708 -0.03514 1.87916 A64 1.89819 0.00171 0.02116 0.02093 0.04562 1.94382 A65 1.93490 0.00019 0.00980 -0.00809 0.00212 1.93702 A66 1.87754 -0.00075 -0.00076 0.00240 0.00498 1.88252 A67 1.82941 0.00075 -0.00230 0.01901 0.01596 1.84537 D1 -3.11877 0.00010 -0.00207 0.00559 0.00352 -3.11525 D2 1.08399 0.00010 -0.00175 0.00555 0.00380 1.08779 D3 -1.00547 -0.00000 -0.00152 0.00354 0.00202 -1.00345 D4 -1.04146 -0.00031 0.00093 -0.01384 -0.01292 -1.05438 D5 -3.12188 -0.00032 0.00124 -0.01388 -0.01264 -3.13452 D6 1.07185 -0.00042 0.00147 -0.01589 -0.01442 1.05742 D7 1.00271 0.00024 -0.00394 0.00332 -0.00061 1.00210 D8 -1.07772 0.00024 -0.00362 0.00328 -0.00033 -1.07805 D9 3.11601 0.00013 -0.00339 0.00127 -0.00212 3.11389 D10 -1.09117 0.00016 0.00045 -0.00299 -0.00250 -1.09367 D11 3.06203 -0.00003 -0.00079 0.00531 0.00448 3.06651 D12 1.06447 -0.00008 0.00150 -0.00058 0.00093 1.06539 D13 1.53958 0.00045 0.01013 0.01382 0.02396 1.56354 D14 -1.55861 0.00040 0.01579 0.00592 0.02172 -1.53688 D15 -2.60673 -0.00007 0.01384 -0.00225 0.01161 -2.59513 D16 0.57826 -0.00013 0.01950 -0.01014 0.00937 0.58764 D17 -0.55039 0.00003 0.01374 0.00048 0.01420 -0.53619 D18 2.63461 -0.00002 0.01940 -0.00742 0.01196 2.64657 D19 3.10010 -0.00001 -0.01156 0.00527 -0.00630 3.09380 D20 -0.01653 0.00024 -0.00483 0.01348 0.00863 -0.00790 D21 -0.03036 -0.00021 -0.01036 -0.00375 -0.01413 -0.04449 D22 3.13620 0.00004 -0.00363 0.00446 0.00080 3.13700 D23 -3.08197 -0.00016 0.01668 -0.01657 0.00009 -3.08188 D24 -0.02961 0.00031 0.00123 0.01300 0.01420 -0.01541 D25 0.04707 0.00006 0.01533 -0.00637 0.00893 0.05600 D26 3.09943 0.00053 -0.00012 0.02321 0.02304 3.12247 D27 -3.11854 0.00034 0.00172 0.01817 0.01986 -3.09868 D28 0.01511 0.00015 0.00351 0.00371 0.00721 0.02232 D29 -0.00201 0.00009 -0.00503 0.00997 0.00490 0.00289 D30 3.13165 -0.00009 -0.00325 -0.00449 -0.00775 3.12390 D31 -3.11609 0.00005 0.00366 -0.00086 0.00279 -3.11331 D32 -0.01764 0.00006 -0.00196 0.00666 0.00471 -0.01293 D33 0.01751 -0.00015 0.00547 -0.01546 -0.01003 0.00748 D34 3.11596 -0.00014 -0.00015 -0.00794 -0.00811 3.10786 D35 3.14042 -0.00016 0.00367 -0.01036 -0.00671 3.13371 D36 -0.02377 0.00002 0.00002 -0.00318 -0.00320 -0.02697 D37 0.04375 -0.00024 0.00952 -0.01864 -0.00913 0.03462 D38 -3.12044 -0.00006 0.00587 -0.01147 -0.00561 -3.12605 D39 -0.05757 0.00018 -0.01621 0.01775 0.00155 -0.05602 D40 -3.11487 -0.00007 -0.00148 -0.00907 -0.01061 -3.12548 D41 3.10845 -0.00000 -0.01228 0.01004 -0.00223 3.10621 D42 0.05115 -0.00026 0.00245 -0.01678 -0.01439 0.03676 D43 2.45341 0.00098 0.00563 0.01753 0.02092 2.47433 D44 0.34600 -0.00089 0.06353 -0.02376 0.04207 0.38807 D45 -1.75237 -0.00004 0.03724 -0.00463 0.03260 -1.71977 D46 -0.78061 0.00139 -0.01047 0.04777 0.03503 -0.74558 D47 -2.88803 -0.00048 0.04743 0.00648 0.05618 -2.83184 D48 1.29679 0.00037 0.02114 0.02561 0.04671 1.34350 D49 -3.07195 -0.00245 -0.06418 -0.05994 -0.12330 3.08794 D50 -0.88990 -0.00303 -0.07424 -0.09579 -0.17009 -1.05998 D51 1.11053 -0.00249 -0.06813 -0.08705 -0.15476 0.95577 D52 -0.93169 0.00157 -0.10604 0.00513 -0.09801 -1.02970 D53 1.25036 0.00099 -0.11610 -0.03072 -0.14480 1.10556 D54 -3.03240 0.00153 -0.10999 -0.02198 -0.12947 3.12132 D55 1.17901 -0.00177 -0.08384 -0.06218 -0.14609 1.03292 D56 -2.92212 -0.00235 -0.09390 -0.09803 -0.19288 -3.11500 D57 -0.92169 -0.00182 -0.08779 -0.08929 -0.17755 -1.09924 D58 3.11381 0.00078 0.08103 0.04204 0.12329 -3.04608 D59 0.92409 0.00194 0.08927 0.07769 0.16762 1.09171 D60 -1.06732 0.00097 0.08529 0.05814 0.14349 -0.92383 D61 0.99983 -0.00108 0.11784 -0.00748 0.10832 1.10814 D62 -1.18990 0.00009 0.12608 0.02817 0.15265 -1.03725 D63 3.10188 -0.00089 0.12210 0.00862 0.12852 -3.05279 D64 -1.11228 0.00133 0.09574 0.05340 0.14952 -0.96276 D65 2.98118 0.00249 0.10398 0.08905 0.19385 -3.10815 D66 0.98977 0.00152 0.10000 0.06950 0.16972 1.15949 D67 0.30668 -0.00081 0.02905 -0.02792 0.00022 0.30690 D68 2.47636 -0.00097 0.03695 -0.03198 0.00370 2.48006 D69 -1.83443 -0.00043 0.03767 -0.01922 0.01792 -1.81651 D70 -1.85520 0.00082 0.04652 0.01561 0.06284 -1.79236 D71 0.31448 0.00066 0.05442 0.01154 0.06632 0.38080 D72 2.28688 0.00120 0.05514 0.02430 0.08054 2.36742 D73 2.43126 0.00070 0.04276 0.00864 0.05105 2.48230 D74 -1.68225 0.00053 0.05066 0.00458 0.05453 -1.62772 D75 0.29015 0.00107 0.05139 0.01734 0.06875 0.35890 D76 0.27103 0.00107 0.04266 0.05421 0.09580 0.36682 D77 2.41885 0.00101 0.05329 0.05940 0.11216 2.53101 D78 -1.88683 0.00118 0.05479 0.06523 0.11974 -1.76709 D79 -1.88430 0.00065 0.03966 0.05285 0.09224 -1.79206 D80 0.26353 0.00059 0.05029 0.05804 0.10860 0.37213 D81 2.24103 0.00076 0.05179 0.06387 0.11618 2.35721 D82 2.41640 0.00057 0.03697 0.04735 0.08338 2.49978 D83 -1.71896 0.00051 0.04759 0.05253 0.09975 -1.61921 D84 0.25854 0.00068 0.04910 0.05836 0.10733 0.36587 D85 -0.20172 -0.00069 -0.03220 -0.05531 -0.08664 -0.28837 D86 1.94307 -0.00029 -0.02716 -0.03765 -0.06447 1.87860 D87 -2.35954 0.00012 -0.02307 -0.02947 -0.05154 -2.41108 D88 -2.34773 -0.00063 -0.04217 -0.05908 -0.10093 -2.44866 D89 -0.20293 -0.00024 -0.03714 -0.04143 -0.07875 -0.28169 D90 1.77764 0.00018 -0.03304 -0.03324 -0.06583 1.71181 D91 1.95474 -0.00100 -0.04406 -0.06702 -0.11100 1.84374 D92 -2.18365 -0.00060 -0.03903 -0.04936 -0.08883 -2.27248 D93 -0.20307 -0.00019 -0.03493 -0.04117 -0.07590 -0.27897 D94 -0.44831 0.00081 -0.05124 0.03344 -0.01600 -0.46431 D95 1.73061 -0.00131 -0.06919 -0.01253 -0.08202 1.64860 D96 -2.56175 -0.00073 -0.06732 0.00722 -0.05902 -2.62076 D97 -2.60828 0.00091 -0.06123 0.02122 -0.03837 -2.64665 D98 -0.42936 -0.00120 -0.07917 -0.02475 -0.10438 -0.53374 D99 1.56147 -0.00063 -0.07731 -0.00500 -0.08138 1.48009 D100 1.70524 0.00038 -0.06265 0.00934 -0.05232 1.65293 D101 -2.39902 -0.00174 -0.08059 -0.03662 -0.11833 -2.51735 D102 -0.40820 -0.00116 -0.07873 -0.01687 -0.09533 -0.50353 Item Value Threshold Converged? Maximum Force 0.005469 0.000450 NO RMS Force 0.001104 0.000300 NO Maximum Displacement 0.579721 0.001800 NO RMS Displacement 0.103723 0.001200 NO Predicted change in Energy=-4.077543D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.841002 -5.103861 2.019938 2 6 0 7.201015 -4.989903 3.493208 3 8 0 6.399137 -6.385911 1.692263 4 8 0 2.830127 -1.618883 0.817118 5 6 0 3.621394 -2.480350 1.070952 6 7 0 4.974424 -2.166591 0.971394 7 6 0 6.061648 -2.938681 1.249828 8 8 0 7.186758 -2.530948 1.161533 9 7 0 5.743551 -4.205582 1.661105 10 6 0 4.431384 -4.606140 1.780922 11 6 0 3.352591 -3.866839 1.490796 12 1 0 7.678827 -4.814533 1.405855 13 1 0 7.514633 -3.979355 3.723654 14 1 0 8.021833 -5.660685 3.731902 15 1 0 5.173095 -1.231718 0.683907 16 1 0 4.339765 -5.612484 2.125084 17 6 0 1.928800 -4.448390 1.697233 18 1 0 6.351331 -5.253585 4.114162 19 1 0 7.097675 -7.003763 1.842626 20 6 0 1.861857 -5.903100 1.202814 21 6 0 0.502349 -6.595875 1.434157 22 6 0 -0.704987 -5.673822 1.720089 23 6 0 -0.581881 -4.199827 1.268129 24 6 0 0.834090 -3.690487 0.944165 25 1 0 1.724685 -4.408278 2.763766 26 1 0 2.099610 -5.882151 0.144339 27 1 0 2.620886 -6.522485 1.668847 28 1 0 0.290676 -7.226341 0.575977 29 1 0 0.599478 -7.278139 2.273057 30 1 0 -1.590500 -6.110897 1.269984 31 1 0 -0.891620 -5.686629 2.789092 32 1 0 -1.217100 -4.018694 0.405942 33 1 0 -0.990757 -3.579823 2.060175 34 1 0 1.044924 -3.776277 -0.118861 35 1 0 0.864303 -2.635974 1.163846 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520894 0.000000 3 O 1.395087 2.415626 0.000000 4 O 5.447841 6.134321 6.018993 0.000000 5 C 4.260195 4.997886 4.832731 1.196938 0.000000 6 N 3.634709 4.391850 4.511332 2.218512 1.392497 7 C 2.426616 3.246294 3.491854 3.517361 2.489358 8 O 2.734280 3.388712 3.970234 4.464383 3.566873 9 N 1.462896 2.469000 2.276972 3.986398 2.797902 10 C 2.472066 3.278727 2.654712 3.523727 2.383091 11 C 3.738880 4.481216 3.958252 2.404188 1.473389 12 H 1.078314 2.148512 2.046671 5.836838 4.692902 13 H 2.149637 1.082898 3.341016 5.997031 4.943799 14 H 2.152960 1.086585 2.705406 7.196245 6.046408 15 H 4.422712 5.111613 5.393113 2.378474 2.028956 16 H 2.554591 3.232045 2.241994 4.465270 3.381939 17 C 4.966236 5.595982 4.872158 3.097274 2.670259 18 H 2.155914 1.084930 2.673956 6.039904 4.940092 19 H 1.925344 2.605904 0.944619 6.946983 5.756846 20 C 5.108655 5.881024 4.589072 4.409175 3.850788 21 C 6.538177 7.189643 5.906168 5.528991 5.176669 22 C 7.573422 8.131209 7.139778 5.454808 5.416384 23 C 7.515429 8.133183 7.327583 4.301916 4.545657 24 C 6.264017 6.980246 6.228540 2.879558 3.041311 25 H 5.216686 5.555229 5.187452 3.576614 3.190615 26 H 5.157946 6.167282 4.597367 4.377413 3.840141 27 H 4.465997 5.162817 3.780791 4.981419 4.206821 28 H 7.035390 7.827175 6.266236 6.160402 5.819202 29 H 6.614240 7.092608 5.896562 6.254817 5.796189 30 H 8.524480 9.137290 8.005514 6.318641 6.354865 31 H 7.792603 8.153033 7.405888 5.855480 5.796510 32 H 8.289485 9.018820 8.078701 4.723156 5.120523 33 H 7.978769 8.434870 7.913281 4.470977 4.843484 34 H 6.319135 7.239985 6.225589 2.952517 3.119821 35 H 6.522598 7.149883 6.706388 2.240348 2.763041 6 7 8 9 10 6 N 0.000000 7 C 1.362242 0.000000 8 O 2.250184 1.199964 0.000000 9 N 2.285769 1.369442 2.266454 0.000000 10 C 2.627095 2.391703 3.504590 1.377166 0.000000 11 C 2.406443 2.873767 4.073556 2.420835 1.339602 12 H 3.809744 2.481619 2.348741 2.044815 3.275666 13 H 4.160974 3.051882 2.961393 2.728006 3.697768 14 H 5.395906 4.172808 4.135142 3.405304 4.220156 15 H 0.998051 2.005870 2.443555 3.181855 3.624955 16 H 3.688898 3.298511 4.304609 2.040898 1.067506 17 C 3.874181 4.422649 5.622248 3.822641 2.508947 18 H 4.615452 3.694199 4.102280 2.735908 3.090209 19 H 5.354015 4.236703 4.525251 3.113908 3.586295 20 C 4.868586 5.140840 6.302990 4.261356 2.935776 21 C 6.311273 6.656940 7.828108 5.764999 4.417760 22 C 6.716914 7.313651 8.512889 6.613838 5.246518 23 C 5.924072 6.762196 7.946588 6.337630 5.055776 24 C 4.411958 5.290180 6.461282 4.988200 3.805143 25 H 4.335731 4.822963 5.993810 4.172318 2.886408 26 H 4.770111 5.058050 6.176109 4.288330 3.121502 27 H 4.999939 4.985786 6.085796 3.888333 2.638719 28 H 6.906151 7.220957 8.363344 6.327427 5.046068 29 H 6.852912 7.050759 8.195338 6.023005 4.697369 30 H 7.664524 8.283642 9.479875 7.587589 6.228036 31 H 7.078501 7.633380 8.824254 6.891397 5.524332 32 H 6.487294 7.406668 8.567912 7.075381 5.843033 33 H 6.226239 7.127702 8.293337 6.775082 5.525479 34 H 4.384144 5.267105 6.396278 5.042785 3.970637 35 H 4.141311 5.206863 6.323327 5.149563 4.121457 11 12 13 14 15 11 C 0.000000 12 H 4.429634 0.000000 13 H 4.724501 2.469144 0.000000 14 H 5.481082 2.498824 1.756186 0.000000 15 H 3.302903 4.431305 4.719361 6.084516 0.000000 16 H 2.103357 3.507613 3.911818 4.017687 4.686420 17 C 1.551772 5.769036 5.960529 6.537170 4.679664 18 H 4.218715 3.047940 1.769019 1.761371 5.415745 19 H 4.897931 2.306780 3.585968 2.495454 6.193799 20 C 2.539996 5.921431 6.481459 6.663360 5.749380 21 C 3.946482 7.394310 7.826883 7.918134 7.152127 22 C 4.447662 8.433591 8.628305 8.955722 7.440283 23 C 3.954811 8.284692 8.463554 9.067975 6.501594 24 C 2.583167 6.951767 7.241455 7.957186 4.994021 25 H 2.136278 6.120521 5.884629 6.493065 5.129120 26 H 2.728440 5.818840 6.764215 6.927654 5.600354 27 H 2.760352 5.345000 5.885448 5.845436 5.956180 28 H 4.636644 7.816028 8.522695 8.495995 7.732087 29 H 4.452924 7.545766 7.797793 7.735357 7.746133 30 H 5.433111 9.360525 9.667854 9.932808 8.360387 31 H 4.796930 8.725048 8.628632 8.963215 7.814013 32 H 4.699153 8.987252 9.340873 9.955703 6.977040 33 H 4.389902 8.781476 8.675739 9.399544 6.738010 34 H 2.815053 6.885594 7.527503 8.188812 4.915385 35 H 2.795264 7.158382 7.251495 8.183766 4.557188 16 17 18 19 20 16 H 0.000000 17 C 2.711259 0.000000 18 H 2.851602 5.103789 0.000000 19 H 3.101855 5.767871 2.963111 0.000000 20 C 2.659901 1.537892 5.390102 5.388378 0.000000 21 C 4.021219 2.591460 6.572272 6.620540 1.543282 22 C 5.061355 2.905003 7.463231 7.916142 2.628465 23 C 5.191587 2.559186 7.568338 8.195589 2.979473 24 C 4.168741 1.529680 6.552260 7.142656 2.453336 25 H 2.949012 1.086629 4.893258 6.037720 2.165613 26 H 3.002394 2.120454 5.850788 5.396559 1.085050 27 H 1.997699 2.186700 4.637444 4.505937 1.084874 28 H 4.625948 3.414334 7.289860 6.927422 2.147673 29 H 4.097079 3.179017 6.369639 6.518215 2.151687 30 H 6.012292 3.915602 8.479210 8.752686 3.459256 31 H 5.273879 3.268052 7.375886 8.152268 3.185086 32 H 6.031116 3.427646 8.518040 8.950429 3.696750 33 H 5.705295 3.067564 7.805549 8.785979 3.777577 34 H 4.388955 2.128655 6.946861 7.134416 2.633928 35 H 4.675728 2.168527 6.757495 7.641548 3.416247 21 22 23 24 25 21 C 0.000000 22 C 1.545833 0.000000 23 C 2.635179 1.546637 0.000000 24 C 2.965034 2.627629 1.539270 0.000000 25 H 2.836819 2.931581 2.756923 2.149263 0.000000 26 H 2.173539 3.223686 3.359093 2.654176 3.028905 27 H 2.132760 3.432825 3.976560 3.426079 2.543992 28 H 1.085709 2.170403 3.224937 3.596265 3.845033 29 H 1.085666 2.140382 3.446954 3.833046 3.121376 30 H 2.154570 1.085247 2.160903 3.441391 4.015064 31 H 2.146096 1.085248 2.149383 3.219692 2.912023 32 H 3.264291 2.174555 1.086130 2.145875 3.790145 33 H 3.423132 2.140597 1.085781 2.141913 2.924893 34 H 3.264412 3.169322 2.179364 1.087122 3.028372 35 H 3.985586 3.464188 2.132594 1.077576 2.537925 26 27 28 29 30 26 H 0.000000 27 H 1.733748 0.000000 28 H 2.294646 2.668269 0.000000 29 H 2.954762 2.241021 1.725724 0.000000 30 H 3.864752 4.250208 2.294490 2.676679 0.000000 31 H 3.997549 3.780384 2.943877 2.241109 1.725144 32 H 3.813327 4.753318 3.548422 4.172536 2.294191 33 H 4.303661 4.675078 4.140290 4.031340 2.718534 34 H 2.369882 3.636099 3.599254 4.264121 3.784811 35 H 3.619812 4.294831 4.663272 4.780186 4.255868 31 32 33 34 35 31 H 0.000000 32 H 2.927004 0.000000 33 H 2.231542 1.726362 0.000000 34 H 3.981939 2.334723 2.988442 0.000000 35 H 3.877008 2.611239 2.266165 1.725761 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.069585 -1.255402 -0.121630 2 6 0 3.567395 -1.576399 1.279179 3 8 0 2.437749 -2.350914 -0.710613 4 8 0 -0.541761 2.818332 0.082909 5 6 0 0.149447 1.843569 0.014145 6 7 0 1.518111 2.031316 -0.160669 7 6 0 2.515409 1.105127 -0.217874 8 8 0 3.672176 1.403410 -0.331141 9 7 0 2.071680 -0.185789 -0.108264 10 6 0 0.733817 -0.466327 0.059088 11 6 0 -0.260439 0.430695 0.095730 12 1 0 3.881714 -0.900677 -0.735940 13 1 0 4.028775 -0.701884 1.720791 14 1 0 4.311333 -2.367450 1.240958 15 1 0 1.811315 2.983357 -0.221950 16 1 0 0.541933 -1.513008 0.143980 17 6 0 -1.724650 -0.034879 0.313270 18 1 0 2.747490 -1.907159 1.908009 19 1 0 3.060172 -3.055075 -0.805761 20 6 0 -2.023096 -1.289994 -0.523824 21 6 0 -3.436157 -1.875417 -0.318257 22 6 0 -4.483753 -0.943728 0.332972 23 6 0 -4.209143 0.576583 0.259977 24 6 0 -2.772228 1.005126 -0.087841 25 1 0 -1.828816 -0.259966 1.371216 26 1 0 -1.877052 -1.012014 -1.562444 27 1 0 -1.313833 -2.086083 -0.323476 28 1 0 -3.801585 -2.228751 -1.277622 29 1 0 -3.356608 -2.763016 0.301832 30 1 0 -5.454244 -1.151173 -0.106202 31 1 0 -4.577334 -1.221985 1.377759 32 1 0 -4.887483 1.045667 -0.446773 33 1 0 -4.463710 1.001502 1.226186 34 1 0 -2.667075 1.184816 -1.154840 35 1 0 -2.585967 1.953855 0.387966 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8127547 0.2803110 0.2192071 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1271.9140586993 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.83D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999996 -0.002151 -0.000154 0.001556 Ang= -0.30 deg. 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) = -798.412825964 A.U. after 13 cycles NFock= 13 Conv=0.49D-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 -0.002143504 0.001080695 0.000555559 2 6 0.000374810 0.000169339 -0.000138151 3 8 0.000007061 -0.000182688 -0.000972827 4 8 0.000463096 -0.000410451 0.000869430 5 6 0.000168652 0.000526472 -0.001291228 6 7 -0.001127028 0.000107028 -0.000994881 7 6 0.000215509 0.000678487 0.001918571 8 8 -0.000597112 -0.001218307 -0.000437207 9 7 0.001800807 0.002045643 -0.000188630 10 6 -0.002959305 -0.000764321 -0.000629010 11 6 -0.002163481 -0.002230241 0.004007990 12 1 -0.000038605 -0.000092787 -0.000059022 13 1 0.000009126 -0.000008810 0.000190924 14 1 -0.000055503 0.000057888 0.000012060 15 1 0.000308251 0.000125269 0.000079906 16 1 -0.000055833 0.000723147 -0.000330698 17 6 0.009478159 0.002643925 -0.004576027 18 1 0.000120056 0.000133728 -0.000206727 19 1 0.002101420 -0.002646682 0.000367192 20 6 0.001626670 -0.002752556 0.003706062 21 6 -0.001550329 -0.000897631 -0.000937756 22 6 0.000653221 0.000244984 0.000110171 23 6 -0.001461546 -0.001168158 -0.000735401 24 6 -0.002979245 0.005588261 0.000742692 25 1 -0.002530261 -0.000498135 0.001286550 26 1 -0.000493432 -0.000596780 -0.000772322 27 1 -0.000259385 0.000811573 -0.001018896 28 1 0.000168401 0.000958828 -0.000502377 29 1 -0.000265317 -0.000283133 -0.000228645 30 1 -0.000170231 -0.000187320 0.001001650 31 1 0.001104122 0.000629346 0.000209218 32 1 0.000918457 -0.000636449 -0.000260779 33 1 -0.000206356 0.000168673 -0.000132752 34 1 -0.001396613 -0.001168563 -0.000281018 35 1 0.000935270 -0.000950276 -0.000363620 ------------------------------------------------------------------- Cartesian Forces: Max 0.009478159 RMS 0.001654187 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004357817 RMS 0.000777346 Search for a local minimum. Step number 7 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 6 7 DE= -3.92D-03 DEPred=-4.08D-03 R= 9.62D-01 TightC=F SS= 1.41D+00 RLast= 8.25D-01 DXNew= 5.0454D+00 2.4740D+00 Trust test= 9.62D-01 RLast= 8.25D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00197 0.00243 0.00270 0.00442 0.00481 Eigenvalues --- 0.00561 0.01353 0.01456 0.01457 0.01676 Eigenvalues --- 0.01741 0.01834 0.01881 0.01931 0.02041 Eigenvalues --- 0.02061 0.02365 0.02576 0.03065 0.03198 Eigenvalues --- 0.03356 0.03677 0.04564 0.04634 0.04724 Eigenvalues --- 0.04992 0.05064 0.05100 0.05149 0.05563 Eigenvalues --- 0.05660 0.05744 0.05855 0.06923 0.08233 Eigenvalues --- 0.08430 0.08625 0.08980 0.09011 0.09015 Eigenvalues --- 0.09172 0.09966 0.12491 0.12671 0.15053 Eigenvalues --- 0.15772 0.15990 0.16003 0.16004 0.16041 Eigenvalues --- 0.16171 0.18071 0.18324 0.19748 0.20087 Eigenvalues --- 0.21700 0.22845 0.23830 0.24956 0.24994 Eigenvalues --- 0.25094 0.25635 0.26508 0.26776 0.27489 Eigenvalues --- 0.28342 0.28487 0.28532 0.28955 0.29938 Eigenvalues --- 0.33503 0.34458 0.34705 0.34753 0.34781 Eigenvalues --- 0.34793 0.34797 0.34803 0.34817 0.34819 Eigenvalues --- 0.34826 0.34836 0.34852 0.34861 0.34889 Eigenvalues --- 0.34965 0.35042 0.36464 0.37815 0.42923 Eigenvalues --- 0.44630 0.47550 0.49138 0.50479 0.55308 Eigenvalues --- 0.57110 0.59287 0.87845 0.96596 RFO step: Lambda=-2.07859895D-03 EMin= 1.96521948D-03 Quartic linear search produced a step of 0.38863. Iteration 1 RMS(Cart)= 0.10808771 RMS(Int)= 0.00480288 Iteration 2 RMS(Cart)= 0.00759566 RMS(Int)= 0.00052606 Iteration 3 RMS(Cart)= 0.00002881 RMS(Int)= 0.00052565 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00052565 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87407 -0.00000 0.00015 -0.00033 -0.00019 2.87389 R2 2.63633 0.00207 -0.00010 0.00436 0.00426 2.64060 R3 2.76447 0.00113 -0.00138 0.00278 0.00140 2.76587 R4 2.03772 -0.00002 -0.00042 -0.00014 -0.00055 2.03716 R5 2.04638 0.00004 -0.00008 0.00006 -0.00001 2.04637 R6 2.05335 -0.00008 -0.00005 -0.00026 -0.00031 2.05304 R7 2.05022 -0.00024 0.00015 -0.00088 -0.00073 2.04949 R8 1.78507 0.00334 0.00144 -0.00057 0.00087 1.78594 R9 2.26189 -0.00079 0.00050 -0.00175 -0.00125 2.26063 R10 2.63144 -0.00075 -0.00024 -0.00166 -0.00187 2.62957 R11 2.78430 0.00039 -0.00092 0.00205 0.00114 2.78544 R12 2.57426 0.00021 0.00030 0.00006 0.00038 2.57464 R13 1.88604 0.00016 0.00137 -0.00332 -0.00195 1.88409 R14 2.26760 -0.00094 0.00017 -0.00141 -0.00123 2.26637 R15 2.58787 -0.00073 0.00084 -0.00192 -0.00108 2.58679 R16 2.60247 0.00171 -0.00068 0.00419 0.00348 2.60595 R17 2.53148 -0.00117 -0.00019 -0.00251 -0.00271 2.52877 R18 2.01729 -0.00078 0.00035 -0.00266 -0.00230 2.01499 R19 2.93242 -0.00436 0.00035 -0.01869 -0.01834 2.91408 R20 2.90619 0.00217 -0.00141 0.00993 0.00881 2.91501 R21 2.89068 0.00394 0.00178 0.01646 0.01832 2.90900 R22 2.05343 0.00172 0.00188 0.00472 0.00660 2.06003 R23 2.91638 0.00056 -0.00025 0.00205 0.00173 2.91811 R24 2.05045 0.00063 0.00146 0.00134 0.00280 2.05325 R25 2.05011 -0.00108 -0.00131 -0.00355 -0.00486 2.04526 R26 2.92120 -0.00050 -0.00234 -0.00273 -0.00539 2.91581 R27 2.05169 -0.00019 0.00025 -0.00063 -0.00038 2.05131 R28 2.05161 -0.00002 0.00021 0.00004 0.00025 2.05187 R29 2.92272 -0.00043 -0.00178 -0.00211 -0.00399 2.91873 R30 2.05082 -0.00020 -0.00006 -0.00063 -0.00069 2.05013 R31 2.05082 0.00001 0.00007 0.00004 0.00011 2.05093 R32 2.90880 0.00030 -0.00212 0.00259 0.00059 2.90939 R33 2.05249 -0.00044 0.00037 -0.00157 -0.00119 2.05130 R34 2.05183 0.00008 0.00026 0.00038 0.00064 2.05247 R35 2.05436 0.00010 0.00592 -0.00194 0.00398 2.05834 R36 2.03632 -0.00098 -0.00483 -0.00230 -0.00713 2.02919 A1 1.95126 -0.00046 -0.00209 0.00399 0.00182 1.95309 A2 1.94892 -0.00108 0.00122 -0.00087 0.00027 1.94919 A3 1.92584 0.00039 0.00123 -0.00593 -0.00473 1.92110 A4 1.84322 0.00243 -0.00458 0.02110 0.01649 1.85972 A5 1.93789 -0.00080 0.00170 -0.01040 -0.00868 1.92921 A6 1.85296 -0.00043 0.00261 -0.00757 -0.00494 1.84802 A7 1.92263 0.00028 -0.00102 0.00247 0.00145 1.92408 A8 1.92341 0.00004 0.00024 0.00051 0.00074 1.92416 A9 1.92925 -0.00018 0.00095 -0.00192 -0.00098 1.92827 A10 1.88658 -0.00011 0.00031 -0.00043 -0.00013 1.88646 A11 1.90903 -0.00009 -0.00043 -0.00075 -0.00117 1.90785 A12 1.89215 0.00006 -0.00005 0.00011 0.00006 1.89221 A13 1.90654 0.00109 -0.00127 0.00515 0.00388 1.91042 A14 2.05444 0.00004 0.00021 -0.00033 -0.00026 2.05418 A15 2.23585 -0.00014 -0.00095 -0.00017 -0.00125 2.23460 A16 1.99289 0.00011 0.00076 0.00040 0.00107 1.99396 A17 2.25644 -0.00047 -0.00109 -0.00174 -0.00282 2.25362 A18 2.00983 0.00050 0.00069 0.00284 0.00347 2.01330 A19 2.01629 -0.00004 0.00026 -0.00142 -0.00124 2.01506 A20 2.14207 0.00050 -0.00129 0.00315 0.00170 2.14377 A21 1.98268 0.00070 -0.00014 0.00266 0.00240 1.98508 A22 2.15824 -0.00119 0.00137 -0.00515 -0.00394 2.15430 A23 2.05723 -0.00166 0.00287 -0.00772 -0.00484 2.05239 A24 2.11162 0.00199 -0.00374 0.00866 0.00493 2.11655 A25 2.11359 -0.00033 0.00089 -0.00113 -0.00025 2.11334 A26 2.19930 -0.00053 -0.00111 -0.00127 -0.00242 2.19689 A27 1.96494 0.00039 0.00036 0.00035 0.00071 1.96565 A28 2.11878 0.00014 0.00078 0.00103 0.00181 2.12059 A29 2.01986 0.00054 0.00060 0.00165 0.00222 2.02209 A30 2.16272 -0.00048 -0.00515 0.00061 -0.00456 2.15816 A31 2.09816 -0.00005 0.00491 -0.00202 0.00288 2.10104 A32 1.93015 -0.00004 0.00761 0.00833 0.01652 1.94666 A33 1.98827 0.00115 0.01340 0.01678 0.03087 2.01914 A34 1.86407 -0.00000 0.00442 0.00148 0.00614 1.87021 A35 1.85380 0.00027 -0.01765 0.00393 -0.01505 1.83875 A36 1.92015 -0.00047 -0.00183 -0.01538 -0.01808 1.90206 A37 1.90761 -0.00097 -0.00582 -0.01667 -0.02342 1.88419 A38 1.99849 -0.00042 -0.01007 -0.00490 -0.01728 1.98121 A39 1.86066 0.00034 -0.01181 0.00508 -0.00637 1.85429 A40 1.95141 0.00027 0.01807 0.00139 0.02002 1.97143 A41 1.92615 -0.00026 -0.00156 -0.00581 -0.00782 1.91833 A42 1.87093 0.00026 0.00412 0.00664 0.01187 1.88281 A43 1.85123 -0.00019 0.00263 -0.00260 -0.00007 1.85116 A44 2.03531 0.00012 -0.00664 -0.00865 -0.01825 2.01706 A45 1.89013 0.00004 0.00303 0.00356 0.00758 1.89770 A46 1.89560 -0.00019 0.00139 -0.00005 0.00200 1.89760 A47 1.91804 0.00007 0.00278 0.00382 0.00736 1.92540 A48 1.87737 -0.00023 -0.00244 -0.00087 -0.00232 1.87504 A49 1.83723 0.00019 0.00283 0.00325 0.00563 1.84285 A50 2.04007 0.00103 -0.00318 -0.00182 -0.00809 2.03199 A51 1.89689 -0.00033 0.00302 -0.00050 0.00365 1.90053 A52 1.88544 -0.00038 -0.00341 0.00094 -0.00182 1.88362 A53 1.90453 -0.00030 0.00460 0.00120 0.00674 1.91128 A54 1.88892 -0.00032 -0.00313 -0.00018 -0.00249 1.88643 A55 1.83741 0.00023 0.00270 0.00059 0.00288 1.84029 A56 2.03765 0.00032 -0.00726 -0.00577 -0.01567 2.02198 A57 1.92235 -0.00005 0.00645 -0.00020 0.00713 1.92947 A58 1.87660 -0.00011 -0.00441 0.00273 -0.00120 1.87540 A59 1.89204 -0.00020 0.00638 0.00030 0.00741 1.89945 A60 1.88703 -0.00021 -0.00365 0.00054 -0.00247 1.88456 A61 1.83755 0.00025 0.00346 0.00337 0.00651 1.84406 A62 1.97225 -0.00083 -0.01111 -0.00912 -0.02247 1.94979 A63 1.87916 0.00064 -0.01366 0.00586 -0.00788 1.87128 A64 1.94382 -0.00001 0.01773 -0.00301 0.01554 1.95936 A65 1.93702 -0.00075 0.00082 -0.01269 -0.01246 1.92456 A66 1.88252 0.00087 0.00194 0.01353 0.01649 1.89901 A67 1.84537 0.00012 0.00620 0.00602 0.01218 1.85755 D1 -3.11525 -0.00102 0.00137 -0.01557 -0.01420 -3.12945 D2 1.08779 -0.00109 0.00148 -0.01690 -0.01542 1.07237 D3 -1.00345 -0.00107 0.00078 -0.01614 -0.01535 -1.01881 D4 -1.05438 0.00103 -0.00502 0.01319 0.00816 -1.04621 D5 -3.13452 0.00096 -0.00491 0.01186 0.00694 -3.12758 D6 1.05742 0.00099 -0.00561 0.01262 0.00701 1.06443 D7 1.00210 0.00006 -0.00024 -0.00061 -0.00085 1.00125 D8 -1.07805 -0.00000 -0.00013 -0.00194 -0.00207 -1.08012 D9 3.11389 0.00002 -0.00082 -0.00118 -0.00200 3.11189 D10 -1.09367 0.00015 -0.00097 0.00985 0.00892 -1.08475 D11 3.06651 0.00017 0.00174 -0.00493 -0.00325 3.06325 D12 1.06539 -0.00028 0.00036 -0.00263 -0.00224 1.06315 D13 1.56354 -0.00008 0.00931 0.02183 0.03113 1.59467 D14 -1.53688 -0.00003 0.00844 0.02688 0.03531 -1.50157 D15 -2.59513 0.00029 0.00451 0.03970 0.04424 -2.55088 D16 0.58764 0.00035 0.00364 0.04475 0.04842 0.63606 D17 -0.53619 0.00033 0.00552 0.03431 0.03981 -0.49638 D18 2.64657 0.00039 0.00465 0.03936 0.04400 2.69057 D19 3.09380 -0.00050 -0.00245 -0.03005 -0.03253 3.06127 D20 -0.00790 -0.00028 0.00335 -0.01988 -0.01654 -0.02444 D21 -0.04449 -0.00006 -0.00549 -0.00068 -0.00619 -0.05068 D22 3.13700 0.00016 0.00031 0.00949 0.00979 -3.13639 D23 -3.08188 0.00023 0.00004 0.01711 0.01715 -3.06473 D24 -0.01541 0.00036 0.00552 0.02067 0.02614 0.01073 D25 0.05600 -0.00027 0.00347 -0.01593 -0.01246 0.04354 D26 3.12247 -0.00013 0.00896 -0.01237 -0.00346 3.11901 D27 -3.09868 -0.00027 0.00772 -0.01702 -0.00937 -3.10806 D28 0.02232 0.00038 0.00280 0.01749 0.02029 0.04262 D29 0.00289 -0.00048 0.00190 -0.02714 -0.02528 -0.02239 D30 3.12390 0.00017 -0.00301 0.00737 0.00439 3.12828 D31 -3.11331 -0.00031 0.00108 -0.01264 -0.01157 -3.12488 D32 -0.01293 -0.00031 0.00183 -0.01745 -0.01562 -0.02855 D33 0.00748 0.00036 -0.00390 0.02235 0.01838 0.02586 D34 3.10786 0.00036 -0.00315 0.01754 0.01434 3.12219 D35 3.13371 -0.00014 -0.00261 -0.00430 -0.00695 3.12676 D36 -0.02697 0.00002 -0.00124 0.00218 0.00090 -0.02607 D37 0.03462 -0.00006 -0.00355 0.00106 -0.00252 0.03210 D38 -3.12605 0.00011 -0.00218 0.00754 0.00533 -3.12073 D39 -0.05602 0.00036 0.00060 0.01656 0.01717 -0.03885 D40 -3.12548 0.00026 -0.00412 0.01302 0.00883 -3.11665 D41 3.10621 0.00018 -0.00087 0.00956 0.00869 3.11491 D42 0.03676 0.00008 -0.00559 0.00602 0.00036 0.03711 D43 2.47433 0.00081 0.00813 0.09204 0.10041 2.57474 D44 0.38807 -0.00030 0.01635 0.06949 0.08572 0.47379 D45 -1.71977 0.00021 0.01267 0.07906 0.09163 -1.62814 D46 -0.74558 0.00097 0.01361 0.09592 0.10975 -0.63583 D47 -2.83184 -0.00013 0.02183 0.07337 0.09506 -2.73678 D48 1.34350 0.00038 0.01815 0.08293 0.10097 1.44448 D49 3.08794 -0.00082 -0.04792 -0.02059 -0.06834 3.01960 D50 -1.05998 -0.00117 -0.06610 -0.02743 -0.09339 -1.15337 D51 0.95577 -0.00106 -0.06014 -0.02684 -0.08677 0.86901 D52 -1.02970 0.00074 -0.03809 0.00761 -0.03005 -1.05975 D53 1.10556 0.00039 -0.05627 0.00077 -0.05510 1.05046 D54 3.12132 0.00051 -0.05032 0.00136 -0.04848 3.07284 D55 1.03292 -0.00050 -0.05677 -0.01801 -0.07460 0.95832 D56 -3.11500 -0.00085 -0.07496 -0.02485 -0.09966 3.06853 D57 -1.09924 -0.00074 -0.06900 -0.02426 -0.09303 -1.19228 D58 -3.04608 0.00017 0.04791 0.02497 0.07292 -2.97317 D59 1.09171 0.00121 0.06514 0.04286 0.10792 1.19963 D60 -0.92383 0.00070 0.05576 0.03382 0.08947 -0.83436 D61 1.10814 -0.00068 0.04209 0.00132 0.04334 1.15149 D62 -1.03725 0.00036 0.05932 0.01922 0.07835 -0.95890 D63 -3.05279 -0.00015 0.04994 0.01017 0.05990 -2.99289 D64 -0.96276 0.00023 0.05811 0.02601 0.08392 -0.87883 D65 -3.10815 0.00127 0.07533 0.04391 0.11893 -2.98922 D66 1.15949 0.00076 0.06596 0.03486 0.10048 1.25997 D67 0.30690 -0.00055 0.00009 -0.05765 -0.05715 0.24975 D68 2.48006 -0.00034 0.00144 -0.05599 -0.05462 2.42544 D69 -1.81651 -0.00019 0.00696 -0.05037 -0.04302 -1.85953 D70 -1.79236 -0.00051 0.02442 -0.05652 -0.03169 -1.82404 D71 0.38080 -0.00029 0.02577 -0.05486 -0.02915 0.35165 D72 2.36742 -0.00014 0.03130 -0.04924 -0.01756 2.34987 D73 2.48230 -0.00030 0.01984 -0.05413 -0.03410 2.44820 D74 -1.62772 -0.00008 0.02119 -0.05247 -0.03157 -1.65929 D75 0.35890 0.00007 0.02672 -0.04685 -0.01997 0.33893 D76 0.36682 0.00066 0.03723 0.09622 0.13327 0.50009 D77 2.53101 0.00075 0.04359 0.09606 0.13934 2.67035 D78 -1.76709 0.00065 0.04654 0.09698 0.14362 -1.62347 D79 -1.79206 0.00045 0.03585 0.09481 0.13090 -1.66117 D80 0.37213 0.00054 0.04220 0.09465 0.13696 0.50909 D81 2.35721 0.00044 0.04515 0.09558 0.14124 2.49845 D82 2.49978 0.00031 0.03241 0.08950 0.12175 2.62153 D83 -1.61921 0.00040 0.03877 0.08934 0.12781 -1.49140 D84 0.36587 0.00031 0.04171 0.09027 0.13209 0.49796 D85 -0.28837 -0.00028 -0.03367 -0.08592 -0.11918 -0.40754 D86 1.87860 -0.00034 -0.02505 -0.09022 -0.11530 1.76330 D87 -2.41108 -0.00013 -0.02003 -0.08484 -0.10458 -2.51566 D88 -2.44866 -0.00036 -0.03922 -0.08488 -0.12363 -2.57229 D89 -0.28169 -0.00042 -0.03061 -0.08918 -0.11976 -0.40145 D90 1.71181 -0.00022 -0.02558 -0.08381 -0.10903 1.60278 D91 1.84374 -0.00030 -0.04314 -0.08611 -0.12920 1.71454 D92 -2.27248 -0.00036 -0.03452 -0.09041 -0.12533 -2.39780 D93 -0.27897 -0.00016 -0.02950 -0.08504 -0.11460 -0.39357 D94 -0.46431 0.00039 -0.00622 0.04039 0.03407 -0.43024 D95 1.64860 0.00009 -0.03187 0.03234 0.00026 1.64885 D96 -2.62076 0.00033 -0.02293 0.04054 0.01759 -2.60318 D97 -2.64665 0.00038 -0.01491 0.04479 0.03011 -2.61653 D98 -0.53374 0.00008 -0.04057 0.03674 -0.00370 -0.53744 D99 1.48009 0.00032 -0.03163 0.04494 0.01363 1.49372 D100 1.65293 0.00030 -0.02033 0.04043 0.02001 1.67293 D101 -2.51735 -0.00001 -0.04599 0.03238 -0.01381 -2.53116 D102 -0.50353 0.00024 -0.03705 0.04058 0.00353 -0.50000 Item Value Threshold Converged? Maximum Force 0.004358 0.000450 NO RMS Force 0.000777 0.000300 NO Maximum Displacement 0.551944 0.001800 NO RMS Displacement 0.108266 0.001200 NO Predicted change in Energy=-1.778833D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.834502 -5.090852 2.003408 2 6 0 7.133820 -5.082623 3.494434 3 8 0 6.456610 -6.359050 1.554587 4 8 0 2.830393 -1.566430 0.903392 5 6 0 3.620026 -2.440449 1.112308 6 7 0 4.972373 -2.118132 1.052640 7 6 0 6.054935 -2.897499 1.329945 8 8 0 7.181407 -2.489994 1.272104 9 7 0 5.735060 -4.184924 1.667618 10 6 0 4.420845 -4.596118 1.741272 11 6 0 3.347515 -3.843591 1.472279 12 1 0 7.689606 -4.733989 1.452433 13 1 0 7.411476 -4.086338 3.815333 14 1 0 7.961283 -5.751019 3.715477 15 1 0 5.175535 -1.171414 0.814949 16 1 0 4.326267 -5.616849 2.034756 17 6 0 1.928045 -4.425617 1.628228 18 1 0 6.267345 -5.412280 4.057267 19 1 0 7.168656 -6.965732 1.689123 20 6 0 1.875978 -5.910222 1.212635 21 6 0 0.519975 -6.586246 1.510611 22 6 0 -0.644420 -5.627923 1.837092 23 6 0 -0.576022 -4.221734 1.201870 24 6 0 0.828396 -3.732682 0.803431 25 1 0 1.660505 -4.342761 2.681759 26 1 0 2.074559 -5.934001 0.144670 27 1 0 2.652686 -6.505472 1.675001 28 1 0 0.258147 -7.226138 0.673767 29 1 0 0.641444 -7.251728 2.359930 30 1 0 -1.579348 -6.104612 1.562061 31 1 0 -0.686869 -5.508961 2.915025 32 1 0 -1.226467 -4.163244 0.334801 33 1 0 -0.983943 -3.518680 1.922265 34 1 0 1.022491 -3.956169 -0.244803 35 1 0 0.862190 -2.663527 0.897330 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520795 0.000000 3 O 1.397343 2.418860 0.000000 4 O 5.446510 6.131606 6.045056 0.000000 5 C 4.260464 5.000236 4.857701 1.196275 0.000000 6 N 3.634357 4.407087 4.521094 2.216919 1.391507 7 C 2.423236 3.259413 3.492011 3.514451 2.486975 8 O 2.723897 3.415076 3.946482 4.463210 3.565309 9 N 1.463638 2.469747 2.293520 3.984675 2.797308 10 C 2.477745 3.266573 2.699466 3.522867 2.384076 11 C 3.741235 4.467708 4.000098 2.403437 1.473991 12 H 1.078020 2.144811 2.042434 5.826390 4.683748 13 H 2.150586 1.082891 3.344840 5.984619 4.938663 14 H 2.153284 1.086420 2.702440 7.193374 6.048378 15 H 4.418892 5.129530 5.394422 2.379822 2.029404 16 H 2.562987 3.209114 2.306467 4.463576 3.382190 17 C 4.965543 5.569064 4.924580 3.084570 2.658922 18 H 2.154836 1.084543 2.682462 6.045670 4.951047 19 H 1.930183 2.608919 0.945078 6.970678 5.779592 20 C 5.087598 5.791065 4.615254 4.458146 3.884726 21 C 6.507865 7.066780 5.941143 5.559253 5.191974 22 C 7.500026 7.971521 7.144158 5.426034 5.373156 23 C 7.504246 8.089416 7.358699 4.329364 4.559366 24 C 6.273586 6.987289 6.256104 2.951379 3.091678 25 H 5.271626 5.582563 5.323397 3.498462 3.149871 26 H 5.179080 6.127143 4.622867 4.496957 3.940774 27 H 4.426803 5.041369 3.808645 5.002110 4.216253 28 H 7.041012 7.734708 6.320494 6.221051 5.864928 29 H 6.568901 6.938520 5.938148 6.263833 5.794559 30 H 8.486187 8.983196 8.039989 6.361977 6.376665 31 H 7.587944 7.853703 7.321389 5.653437 5.587030 32 H 8.283957 8.984595 8.083262 4.850243 5.202023 33 H 7.975361 8.415206 7.972748 4.404377 4.797410 34 H 6.334148 7.252526 6.208164 3.209005 3.299446 35 H 6.540935 7.206269 6.736943 2.253327 2.775183 6 7 8 9 10 6 N 0.000000 7 C 1.362443 0.000000 8 O 2.250839 1.199311 0.000000 9 N 2.287251 1.368870 2.262994 0.000000 10 C 2.630364 2.392645 3.503796 1.379010 0.000000 11 C 2.406963 2.871493 4.070753 2.419718 1.338167 12 H 3.792874 2.461675 2.307877 2.041575 3.284393 13 H 4.177982 3.070944 3.011522 2.726311 3.674981 14 H 5.405751 4.179413 4.148802 3.406237 4.214971 15 H 0.997020 2.004479 2.443597 3.181408 3.627153 16 H 3.690938 3.298472 4.302405 2.042033 1.066287 17 C 3.863123 4.410821 5.609927 3.814819 2.501179 18 H 4.642859 3.715848 4.139131 2.738641 3.072379 19 H 5.359850 4.233190 4.495142 3.128667 3.628809 20 C 4.898286 5.153052 6.312613 4.251609 2.912503 21 C 6.324367 6.653967 7.823736 5.743527 4.385270 22 C 6.669510 7.252157 8.450408 6.542838 5.170175 23 C 5.935664 6.763106 7.948684 6.328351 5.039821 24 C 4.454372 5.318972 6.490353 5.002669 3.811923 25 H 4.309463 4.819460 5.991680 4.201831 2.927145 26 H 4.876740 5.144766 6.261964 4.333348 3.137535 27 H 5.001703 4.971100 6.065947 3.858242 2.603154 28 H 6.961264 7.264327 8.409555 6.342973 5.038316 29 H 6.842496 7.023251 8.162634 5.985775 4.660350 30 H 7.686129 8.283823 9.481581 7.562864 6.189506 31 H 6.855160 7.401631 8.586218 6.674599 5.319748 32 H 6.566841 7.457295 8.623843 7.087999 5.835895 33 H 6.180249 7.091016 8.255535 6.756754 5.514105 34 H 4.545691 5.378300 6.510217 5.090971 3.987836 35 H 4.149118 5.215985 6.332699 5.162640 4.136565 11 12 13 14 15 11 C 0.000000 12 H 4.432489 0.000000 13 H 4.697298 2.465787 0.000000 14 H 5.473306 2.495902 1.755967 0.000000 15 H 3.303676 4.406686 4.743261 6.094771 0.000000 16 H 2.102089 3.525705 3.877040 4.007015 4.687332 17 C 1.542066 5.772485 5.913252 6.520219 4.668775 18 H 4.203374 3.044350 1.767962 1.760963 5.448818 19 H 4.939221 2.303929 3.587567 2.491966 6.189575 20 C 2.550255 5.936270 6.382972 6.581831 5.788051 21 C 3.939366 7.405258 7.684665 7.805902 7.174859 22 C 4.387764 8.390654 8.437262 8.809178 7.401158 23 C 3.950982 8.285276 8.405275 9.030089 6.521854 24 C 2.608758 6.964196 7.248005 7.964407 5.045578 25 H 2.134950 6.165578 5.867232 6.538468 5.088994 26 H 2.784381 5.888890 6.735749 6.887500 5.722549 27 H 2.758531 5.343992 5.751462 5.737068 5.962939 28 H 4.650101 7.876783 8.420090 8.412270 7.801303 29 H 4.441412 7.539174 7.613884 7.594055 7.740489 30 H 5.421647 9.370386 9.486073 9.787026 8.397802 31 H 4.596872 8.538448 8.271494 8.688490 7.588968 32 H 4.724124 9.003955 9.313114 9.917901 7.082883 33 H 4.366873 8.770870 8.624906 9.392338 6.683935 34 H 2.892539 6.923585 7.571049 8.188537 5.111332 35 H 2.810686 7.156015 7.309739 8.238427 4.564881 16 17 18 19 20 16 H 0.000000 17 C 2.708462 0.000000 18 H 2.810726 5.069838 0.000000 19 H 3.165142 5.824079 2.972151 0.000000 20 C 2.601128 1.542556 5.255852 5.417895 0.000000 21 C 3.962614 2.581630 6.394991 6.661894 1.544196 22 C 4.974628 2.847234 7.262794 7.928164 2.611905 23 C 5.164541 2.548275 7.510151 8.230855 2.977148 24 C 4.159489 1.539376 6.556727 7.171887 2.450827 25 H 3.024598 1.090123 4.925329 6.181021 2.159093 26 H 2.956890 2.120763 5.758477 5.422142 1.086531 27 H 1.928717 2.202973 4.464977 4.539386 1.082304 28 H 4.581671 3.397422 7.130822 6.989557 2.153925 29 H 4.044315 3.190240 6.157539 6.567821 2.154065 30 H 5.944547 3.889114 8.262927 8.791203 3.478385 31 H 5.090977 3.109221 7.048061 8.082963 3.102794 32 H 5.986290 3.419465 8.460146 8.953559 3.667109 33 H 5.710805 3.064093 7.792633 8.854456 3.795022 34 H 4.343867 2.132758 6.938051 7.111462 2.582806 35 H 4.692086 2.185227 6.837875 7.675116 3.415876 21 22 23 24 25 21 C 0.000000 22 C 1.542981 0.000000 23 C 2.624395 1.544523 0.000000 24 C 2.956020 2.613346 1.539583 0.000000 25 H 2.775900 2.770881 2.684544 2.143063 0.000000 26 H 2.169780 3.217270 3.327929 2.613942 3.023293 27 H 2.140562 3.415740 3.982948 3.431623 2.583661 28 H 1.085506 2.173073 3.162463 3.542066 3.783187 29 H 1.085801 2.136246 3.464706 3.852443 3.099055 30 H 2.154478 1.084880 2.163707 3.463928 3.854152 31 H 2.142288 1.085308 2.145726 3.148019 2.631464 32 H 3.209911 2.177370 1.085499 2.151153 3.724923 33 H 3.441103 2.138091 1.086119 2.140598 2.872115 34 H 3.201766 3.147641 2.172241 1.089225 3.020145 35 H 3.985090 3.455527 2.142244 1.073802 2.577076 26 27 28 29 30 26 H 0.000000 27 H 1.732836 0.000000 28 H 2.291051 2.693631 0.000000 29 H 2.949169 2.251914 1.729369 0.000000 30 H 3.922900 4.252477 2.328792 2.623811 0.000000 31 H 3.934592 3.699098 2.977414 2.260483 1.726798 32 H 3.750801 4.725463 3.420569 4.138716 2.323704 33 H 4.283463 4.712445 4.104483 4.095006 2.677928 34 H 2.273843 3.583592 3.481478 4.217883 3.827549 35 H 3.568240 4.309430 4.607848 4.820737 4.271304 31 32 33 34 35 31 H 0.000000 32 H 2.959675 0.000000 33 H 2.243890 1.730412 0.000000 34 H 3.913769 2.331659 2.985524 0.000000 35 H 3.816696 2.632125 2.278154 1.732364 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.059398 -1.248462 -0.124550 2 6 0 3.486399 -1.646147 1.279848 3 8 0 2.481647 -2.316594 -0.815828 4 8 0 -0.531817 2.838812 0.124135 5 6 0 0.152360 1.862555 0.024640 6 7 0 1.524748 2.045970 -0.113926 7 6 0 2.516539 1.112932 -0.159117 8 8 0 3.677115 1.401538 -0.249198 9 7 0 2.062321 -0.177185 -0.103555 10 6 0 0.717230 -0.453635 0.022822 11 6 0 -0.268216 0.450521 0.068540 12 1 0 3.902266 -0.856377 -0.670416 13 1 0 3.918531 -0.797065 1.794604 14 1 0 4.235800 -2.431542 1.236711 15 1 0 1.828025 2.995364 -0.140800 16 1 0 0.516420 -1.499634 0.073129 17 6 0 -1.732333 0.000056 0.245768 18 1 0 2.636883 -2.013836 1.844969 19 1 0 3.117545 -3.008793 -0.914145 20 6 0 -2.013602 -1.318810 -0.503203 21 6 0 -3.414878 -1.902029 -0.218911 22 6 0 -4.411389 -0.939751 0.460633 23 6 0 -4.216057 0.565691 0.175953 24 6 0 -2.800119 0.989128 -0.255480 25 1 0 -1.893675 -0.156602 1.312443 26 1 0 -1.913924 -1.094454 -1.561635 27 1 0 -1.283699 -2.089069 -0.290305 28 1 0 -3.830017 -2.280315 -1.147826 29 1 0 -3.307429 -2.768324 0.426806 30 1 0 -5.420907 -1.231458 0.190919 31 1 0 -4.343590 -1.091378 1.533155 32 1 0 -4.926602 0.907770 -0.569980 33 1 0 -4.464313 1.104176 1.085930 34 1 0 -2.729180 1.016825 -1.342040 35 1 0 -2.619169 1.990865 0.086325 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8031589 0.2822494 0.2200239 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1271.9848852079 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.82D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999999 -0.000388 0.000887 -0.000474 Ang= -0.12 deg. 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) = -798.414728231 A.U. after 13 cycles NFock= 13 Conv=0.47D-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 0.001214995 0.000120594 -0.000503272 2 6 -0.000581394 -0.000311933 -0.000037960 3 8 -0.003753526 0.002483979 -0.000246666 4 8 -0.002128127 -0.001039771 -0.000982827 5 6 0.000746417 0.001573213 0.004292422 6 7 -0.000443696 -0.001239185 -0.000080808 7 6 0.000798086 -0.001606233 -0.003871447 8 8 -0.000132722 0.001420876 0.001386369 9 7 0.000610932 -0.000523695 0.001134328 10 6 0.000897053 -0.000061968 -0.000218317 11 6 -0.001691340 -0.001978838 -0.001204218 12 1 -0.000333398 0.000271218 0.000092519 13 1 -0.000000895 0.000105238 0.000035165 14 1 -0.000073274 0.000006184 -0.000042241 15 1 0.000219866 0.001156805 -0.000136056 16 1 0.000802349 0.000024415 -0.000239306 17 6 0.001562483 0.000488689 0.000824270 18 1 0.000005564 -0.000009321 0.000348994 19 1 0.002018009 -0.001500538 0.000441704 20 6 -0.000526323 0.000594057 -0.000374213 21 6 -0.001389641 -0.000227033 -0.000357577 22 6 0.001501419 0.000513708 0.000701456 23 6 -0.001314503 -0.000155839 0.000274755 24 6 0.002033463 -0.002065200 -0.002295427 25 1 0.000481420 0.000674097 -0.000344767 26 1 0.000738607 -0.001312900 0.000461999 27 1 -0.000575914 0.000450811 0.000864201 28 1 -0.000220371 0.001021405 -0.000714723 29 1 -0.000634827 -0.000878516 -0.000552542 30 1 -0.000543563 -0.000014002 0.000798020 31 1 0.000886384 0.000395878 0.000294267 32 1 0.000596621 -0.000849978 -0.000598933 33 1 -0.001278754 -0.000158240 -0.000580214 34 1 -0.000878938 0.000925113 0.000527951 35 1 0.001387537 0.001706914 0.000903091 ------------------------------------------------------------------- Cartesian Forces: Max 0.004292422 RMS 0.001153751 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006777655 RMS 0.001034457 Search for a local minimum. Step number 8 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 7 8 DE= -1.90D-03 DEPred=-1.78D-03 R= 1.07D+00 TightC=F SS= 1.41D+00 RLast= 7.10D-01 DXNew= 5.0454D+00 2.1288D+00 Trust test= 1.07D+00 RLast= 7.10D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00081 0.00249 0.00271 0.00442 0.00506 Eigenvalues --- 0.00714 0.01367 0.01457 0.01467 0.01694 Eigenvalues --- 0.01765 0.01827 0.01866 0.01932 0.02042 Eigenvalues --- 0.02232 0.02457 0.02607 0.03164 0.03247 Eigenvalues --- 0.03371 0.03739 0.04547 0.04654 0.04798 Eigenvalues --- 0.04916 0.05122 0.05152 0.05198 0.05661 Eigenvalues --- 0.05733 0.05942 0.06125 0.06808 0.08176 Eigenvalues --- 0.08237 0.08485 0.08802 0.08892 0.08929 Eigenvalues --- 0.08973 0.10095 0.12344 0.12582 0.15530 Eigenvalues --- 0.15825 0.15977 0.16002 0.16023 0.16031 Eigenvalues --- 0.16242 0.18229 0.18694 0.19829 0.20533 Eigenvalues --- 0.21377 0.22855 0.23816 0.24912 0.24990 Eigenvalues --- 0.25084 0.25373 0.26545 0.27020 0.27459 Eigenvalues --- 0.28220 0.28498 0.28742 0.29918 0.30018 Eigenvalues --- 0.34307 0.34408 0.34746 0.34777 0.34786 Eigenvalues --- 0.34793 0.34801 0.34805 0.34816 0.34820 Eigenvalues --- 0.34835 0.34848 0.34860 0.34878 0.34914 Eigenvalues --- 0.34997 0.35893 0.37314 0.38071 0.43367 Eigenvalues --- 0.44586 0.47539 0.49213 0.50390 0.55905 Eigenvalues --- 0.57424 0.65292 0.88276 0.96692 RFO step: Lambda=-2.66156702D-03 EMin= 8.12058689D-04 Quartic linear search produced a step of 0.42321. Iteration 1 RMS(Cart)= 0.12454340 RMS(Int)= 0.00564301 Iteration 2 RMS(Cart)= 0.00946566 RMS(Int)= 0.00072580 Iteration 3 RMS(Cart)= 0.00004537 RMS(Int)= 0.00072510 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00072510 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87389 0.00017 -0.00008 0.00068 0.00060 2.87449 R2 2.64060 -0.00049 0.00180 0.00128 0.00309 2.64368 R3 2.76587 -0.00183 0.00059 -0.00471 -0.00411 2.76176 R4 2.03716 -0.00022 -0.00023 -0.00088 -0.00111 2.03605 R5 2.04637 0.00011 -0.00001 0.00034 0.00033 2.04670 R6 2.05304 -0.00007 -0.00013 -0.00047 -0.00061 2.05243 R7 2.04949 0.00018 -0.00031 0.00008 -0.00023 2.04926 R8 1.78594 0.00255 0.00037 0.00960 0.00997 1.79591 R9 2.26063 0.00082 -0.00053 0.00002 -0.00051 2.26012 R10 2.62957 -0.00021 -0.00079 -0.00221 -0.00298 2.62659 R11 2.78544 -0.00100 0.00048 0.00205 0.00253 2.78797 R12 2.57464 0.00030 0.00016 0.00050 0.00069 2.57534 R13 1.88409 0.00118 -0.00082 0.00332 0.00250 1.88659 R14 2.26637 0.00029 -0.00052 -0.00035 -0.00088 2.26549 R15 2.58679 0.00095 -0.00046 0.00006 -0.00039 2.58640 R16 2.60595 0.00000 0.00147 0.00185 0.00330 2.60925 R17 2.52877 0.00031 -0.00115 -0.00113 -0.00230 2.52646 R18 2.01499 -0.00016 -0.00097 -0.00076 -0.00173 2.01326 R19 2.91408 -0.00212 -0.00776 -0.01146 -0.01922 2.89486 R20 2.91501 0.00063 0.00373 0.00859 0.01317 2.92818 R21 2.90900 -0.00034 0.00775 0.01388 0.02201 2.93101 R22 2.06003 -0.00040 0.00279 0.00269 0.00549 2.06552 R23 2.91811 0.00082 0.00073 0.00542 0.00594 2.92405 R24 2.05325 -0.00029 0.00118 0.00088 0.00206 2.05531 R25 2.04526 -0.00029 -0.00206 -0.00281 -0.00486 2.04039 R26 2.91581 -0.00094 -0.00228 -0.00617 -0.00943 2.90639 R27 2.05131 0.00000 -0.00016 -0.00026 -0.00042 2.05089 R28 2.05187 0.00004 0.00011 0.00014 0.00025 2.05212 R29 2.91873 -0.00052 -0.00169 -0.00654 -0.00863 2.91010 R30 2.05013 0.00027 -0.00029 0.00034 0.00005 2.05017 R31 2.05093 0.00030 0.00005 0.00082 0.00086 2.05180 R32 2.90939 0.00136 0.00025 0.00354 0.00414 2.91353 R33 2.05130 0.00008 -0.00050 -0.00047 -0.00097 2.05032 R34 2.05247 -0.00001 0.00027 0.00028 0.00055 2.05302 R35 2.05834 -0.00085 0.00168 -0.00248 -0.00080 2.05754 R36 2.02919 0.00182 -0.00302 0.00110 -0.00192 2.02727 A1 1.95309 0.00035 0.00077 0.00050 0.00124 1.95433 A2 1.94919 0.00058 0.00011 -0.00127 -0.00119 1.94800 A3 1.92110 -0.00008 -0.00200 0.00384 0.00183 1.92293 A4 1.85972 -0.00165 0.00698 -0.00801 -0.00103 1.85868 A5 1.92921 0.00058 -0.00367 0.00409 0.00042 1.92964 A6 1.84802 0.00018 -0.00209 0.00056 -0.00152 1.84650 A7 1.92408 -0.00007 0.00061 0.00075 0.00137 1.92544 A8 1.92416 -0.00012 0.00031 -0.00091 -0.00060 1.92356 A9 1.92827 0.00045 -0.00041 0.00213 0.00172 1.92999 A10 1.88646 0.00004 -0.00005 -0.00019 -0.00024 1.88621 A11 1.90785 -0.00017 -0.00050 -0.00135 -0.00185 1.90601 A12 1.89221 -0.00015 0.00003 -0.00051 -0.00049 1.89172 A13 1.91042 -0.00033 0.00164 -0.00125 0.00039 1.91081 A14 2.05418 0.00207 -0.00011 0.00056 0.00030 2.05448 A15 2.23460 -0.00271 -0.00053 -0.00313 -0.00381 2.23079 A16 1.99396 0.00068 0.00045 0.00362 0.00394 1.99790 A17 2.25362 -0.00026 -0.00119 -0.00234 -0.00356 2.25006 A18 2.01330 0.00010 0.00147 0.00271 0.00408 2.01738 A19 2.01506 0.00015 -0.00052 -0.00097 -0.00158 2.01348 A20 2.14377 -0.00080 0.00072 -0.00207 -0.00153 2.14224 A21 1.98508 -0.00054 0.00102 -0.00093 -0.00005 1.98503 A22 2.15430 0.00135 -0.00167 0.00333 0.00148 2.15577 A23 2.05239 0.00184 -0.00205 0.00384 0.00180 2.05418 A24 2.11655 -0.00241 0.00209 -0.00660 -0.00452 2.11203 A25 2.11334 0.00058 -0.00010 0.00315 0.00301 2.11635 A26 2.19689 -0.00066 -0.00102 -0.00184 -0.00292 2.19397 A27 1.96565 -0.00046 0.00030 -0.00239 -0.00206 1.96359 A28 2.12059 0.00112 0.00077 0.00420 0.00499 2.12558 A29 2.02209 0.00019 0.00094 -0.00216 -0.00127 2.02082 A30 2.15816 -0.00678 -0.00193 -0.01173 -0.01365 2.14452 A31 2.10104 0.00657 0.00122 0.01330 0.01452 2.11556 A32 1.94666 0.00344 0.00699 0.02356 0.03035 1.97701 A33 2.01914 -0.00343 0.01307 0.00219 0.01522 2.03436 A34 1.87021 -0.00009 0.00260 -0.00356 -0.00031 1.86990 A35 1.83875 -0.00024 -0.00637 0.00028 -0.00636 1.83239 A36 1.90206 -0.00061 -0.00765 -0.01139 -0.01986 1.88220 A37 1.88419 0.00095 -0.00991 -0.01308 -0.02392 1.86027 A38 1.98121 0.00002 -0.00731 -0.00547 -0.01511 1.96610 A39 1.85429 0.00070 -0.00269 0.00496 0.00328 1.85757 A40 1.97143 -0.00036 0.00847 0.00423 0.01286 1.98429 A41 1.91833 -0.00073 -0.00331 -0.00334 -0.00661 1.91172 A42 1.88281 0.00043 0.00503 0.00154 0.00788 1.89068 A43 1.85116 -0.00011 -0.00003 -0.00194 -0.00232 1.84884 A44 2.01706 -0.00011 -0.00773 -0.00862 -0.02080 1.99626 A45 1.89770 0.00003 0.00321 0.00485 0.00971 1.90741 A46 1.89760 0.00037 0.00085 0.00261 0.00433 1.90193 A47 1.92540 -0.00020 0.00312 0.00192 0.00592 1.93132 A48 1.87504 -0.00008 -0.00098 -0.00324 -0.00242 1.87262 A49 1.84285 0.00001 0.00238 0.00343 0.00511 1.84796 A50 2.03199 0.00030 -0.00342 -0.00872 -0.01727 2.01472 A51 1.90053 -0.00016 0.00154 0.00083 0.00432 1.90485 A52 1.88362 0.00003 -0.00077 0.00232 0.00269 1.88631 A53 1.91128 -0.00023 0.00285 0.00028 0.00450 1.91578 A54 1.88643 -0.00000 -0.00105 0.00373 0.00434 1.89077 A55 1.84029 0.00006 0.00122 0.00271 0.00317 1.84347 A56 2.02198 -0.00010 -0.00663 -0.01311 -0.02284 1.99914 A57 1.92947 0.00014 0.00302 -0.00098 0.00289 1.93236 A58 1.87540 -0.00048 -0.00051 0.00224 0.00269 1.87809 A59 1.89945 0.00003 0.00314 0.00168 0.00544 1.90489 A60 1.88456 0.00045 -0.00105 0.00783 0.00792 1.89248 A61 1.84406 -0.00004 0.00276 0.00412 0.00637 1.85043 A62 1.94979 -0.00005 -0.00951 -0.00434 -0.01554 1.93425 A63 1.87128 0.00046 -0.00334 0.00477 0.00149 1.87277 A64 1.95936 -0.00077 0.00658 -0.00429 0.00273 1.96208 A65 1.92456 0.00004 -0.00527 -0.01217 -0.01758 1.90698 A66 1.89901 0.00041 0.00698 0.01124 0.01912 1.91814 A67 1.85755 -0.00007 0.00515 0.00463 0.00967 1.86722 D1 -3.12945 0.00076 -0.00601 0.00531 -0.00070 -3.13015 D2 1.07237 0.00083 -0.00653 0.00564 -0.00088 1.07148 D3 -1.01881 0.00080 -0.00650 0.00550 -0.00099 -1.01979 D4 -1.04621 -0.00070 0.00345 -0.00544 -0.00199 -1.04820 D5 -3.12758 -0.00064 0.00294 -0.00510 -0.00217 -3.12975 D6 1.06443 -0.00067 0.00297 -0.00524 -0.00228 1.06215 D7 1.00125 -0.00017 -0.00036 -0.00308 -0.00344 0.99781 D8 -1.08012 -0.00011 -0.00088 -0.00275 -0.00363 -1.08375 D9 3.11189 -0.00013 -0.00085 -0.00289 -0.00373 3.10816 D10 -1.08475 -0.00024 0.00377 -0.00483 -0.00105 -1.08580 D11 3.06325 -0.00007 -0.00138 0.00176 0.00036 3.06361 D12 1.06315 0.00032 -0.00095 0.00345 0.00251 1.06566 D13 1.59467 0.00024 0.01317 0.01200 0.02516 1.61982 D14 -1.50157 0.00007 0.01494 0.00223 0.01718 -1.48439 D15 -2.55088 -0.00006 0.01872 0.00656 0.02529 -2.52560 D16 0.63606 -0.00023 0.02049 -0.00321 0.01731 0.65337 D17 -0.49638 -0.00009 0.01685 0.00771 0.02454 -0.47183 D18 2.69057 -0.00027 0.01862 -0.00206 0.01657 2.70714 D19 3.06127 0.00063 -0.01377 0.01417 0.00046 3.06173 D20 -0.02444 0.00077 -0.00700 0.02790 0.02095 -0.00348 D21 -0.05068 -0.00035 -0.00262 -0.02076 -0.02339 -0.07407 D22 -3.13639 -0.00021 0.00415 -0.00704 -0.00290 -3.13929 D23 -3.06473 -0.00045 0.00726 -0.01356 -0.00627 -3.07101 D24 0.01073 -0.00046 0.01106 -0.02326 -0.01213 -0.00139 D25 0.04354 0.00076 -0.00527 0.02581 0.02056 0.06410 D26 3.11901 0.00075 -0.00146 0.01610 0.01470 3.13371 D27 -3.10806 0.00097 -0.00397 0.03606 0.03202 -3.07604 D28 0.04262 -0.00038 0.00859 -0.00362 0.00497 0.04759 D29 -0.02239 0.00083 -0.01070 0.02242 0.01172 -0.01068 D30 3.12828 -0.00052 0.00186 -0.01726 -0.01534 3.11295 D31 -3.12488 0.00057 -0.00490 0.01301 0.00810 -3.11678 D32 -0.02855 0.00066 -0.00661 0.02249 0.01589 -0.01266 D33 0.02586 -0.00078 0.00778 -0.02691 -0.01918 0.00669 D34 3.12219 -0.00069 0.00607 -0.01743 -0.01139 3.11080 D35 3.12676 -0.00005 -0.00294 -0.00646 -0.00942 3.11734 D36 -0.02607 -0.00019 0.00038 -0.00903 -0.00864 -0.03471 D37 0.03210 -0.00026 -0.00107 -0.01657 -0.01764 0.01446 D38 -3.12073 -0.00040 0.00225 -0.01914 -0.01686 -3.13759 D39 -0.03885 -0.00048 0.00727 -0.00944 -0.00216 -0.04101 D40 -3.11665 0.00006 0.00374 0.00092 0.00473 -3.11192 D41 3.11491 -0.00032 0.00368 -0.00662 -0.00296 3.11195 D42 0.03711 0.00022 0.00015 0.00375 0.00393 0.04104 D43 2.57474 0.00032 0.04250 0.13059 0.17378 2.74852 D44 0.47379 0.00045 0.03628 0.11002 0.14560 0.61940 D45 -1.62814 0.00149 0.03878 0.12801 0.16683 -1.46131 D46 -0.63583 0.00005 0.04645 0.11985 0.16697 -0.46886 D47 -2.73678 0.00018 0.04023 0.09928 0.13879 -2.59799 D48 1.44448 0.00123 0.04273 0.11727 0.16002 1.60450 D49 3.01960 0.00217 -0.02892 0.00456 -0.02423 2.99537 D50 -1.15337 0.00176 -0.03952 0.00051 -0.03915 -1.19252 D51 0.86901 0.00186 -0.03672 0.00344 -0.03302 0.83599 D52 -1.05975 -0.00010 -0.01272 0.02232 0.01026 -1.04949 D53 1.05046 -0.00051 -0.02332 0.01827 -0.00466 1.04581 D54 3.07284 -0.00041 -0.02052 0.02120 0.00147 3.07431 D55 0.95832 0.00060 -0.03157 0.00198 -0.02919 0.92913 D56 3.06853 0.00018 -0.04218 -0.00207 -0.04411 3.02442 D57 -1.19228 0.00029 -0.03937 0.00086 -0.03798 -1.23026 D58 -2.97317 0.00176 0.03086 0.03787 0.06856 -2.90461 D59 1.19963 0.00144 0.04567 0.05237 0.09818 1.29781 D60 -0.83436 0.00168 0.03787 0.04619 0.08397 -0.75039 D61 1.15149 -0.00026 0.01834 0.00594 0.02381 1.17530 D62 -0.95890 -0.00057 0.03316 0.02044 0.05343 -0.90547 D63 -2.99289 -0.00034 0.02535 0.01426 0.03922 -2.95367 D64 -0.87883 0.00012 0.03552 0.02500 0.06012 -0.81872 D65 -2.98922 -0.00020 0.05033 0.03950 0.08974 -2.89949 D66 1.25997 0.00004 0.04252 0.03332 0.07553 1.33550 D67 0.24975 0.00002 -0.02419 -0.07709 -0.10011 0.14964 D68 2.42544 -0.00030 -0.02311 -0.07697 -0.09985 2.32559 D69 -1.85953 -0.00008 -0.01821 -0.06899 -0.08626 -1.94578 D70 -1.82404 -0.00038 -0.01341 -0.07750 -0.09009 -1.91413 D71 0.35165 -0.00070 -0.01234 -0.07738 -0.08982 0.26182 D72 2.34987 -0.00049 -0.00743 -0.06940 -0.07623 2.27363 D73 2.44820 -0.00010 -0.01443 -0.07429 -0.08816 2.36004 D74 -1.65929 -0.00042 -0.01336 -0.07417 -0.08790 -1.74719 D75 0.33893 -0.00021 -0.00845 -0.06620 -0.07431 0.26462 D76 0.50009 0.00034 0.05640 0.11439 0.17081 0.67090 D77 2.67035 0.00012 0.05897 0.10887 0.16747 2.83782 D78 -1.62347 0.00012 0.06078 0.11367 0.17482 -1.44865 D79 -1.66117 0.00055 0.05540 0.11287 0.16885 -1.49232 D80 0.50909 0.00032 0.05796 0.10736 0.16552 0.67461 D81 2.49845 0.00032 0.05978 0.11216 0.17286 2.67132 D82 2.62153 0.00069 0.05152 0.10961 0.16107 2.78260 D83 -1.49140 0.00046 0.05409 0.10410 0.15774 -1.33366 D84 0.49796 0.00046 0.05590 0.10890 0.16509 0.66305 D85 -0.40754 -0.00060 -0.05044 -0.08902 -0.13865 -0.54620 D86 1.76330 -0.00052 -0.04880 -0.09786 -0.14662 1.61668 D87 -2.51566 -0.00075 -0.04426 -0.09222 -0.13599 -2.65165 D88 -2.57229 -0.00041 -0.05232 -0.08372 -0.13511 -2.70740 D89 -0.40145 -0.00033 -0.05068 -0.09256 -0.14307 -0.54452 D90 1.60278 -0.00057 -0.04614 -0.08692 -0.13245 1.47033 D91 1.71454 -0.00036 -0.05468 -0.08907 -0.14359 1.57095 D92 -2.39780 -0.00028 -0.05304 -0.09791 -0.15155 -2.54936 D93 -0.39357 -0.00052 -0.04850 -0.09227 -0.14093 -0.53450 D94 -0.43024 0.00023 0.01442 0.03152 0.04548 -0.38476 D95 1.64885 0.00079 0.00011 0.02665 0.02645 1.67530 D96 -2.60318 0.00096 0.00744 0.03192 0.03911 -2.56406 D97 -2.61653 0.00009 0.01274 0.04140 0.05431 -2.56222 D98 -0.53744 0.00065 -0.00157 0.03654 0.03528 -0.50216 D99 1.49372 0.00082 0.00577 0.04180 0.04794 1.54166 D100 1.67293 -0.00012 0.00847 0.03164 0.03978 1.71271 D101 -2.53116 0.00045 -0.00584 0.02678 0.02075 -2.51041 D102 -0.50000 0.00062 0.00149 0.03204 0.03341 -0.46659 Item Value Threshold Converged? Maximum Force 0.006778 0.000450 NO RMS Force 0.001034 0.000300 NO Maximum Displacement 0.531090 0.001800 NO RMS Displacement 0.124908 0.001200 NO Predicted change in Energy=-2.170631D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.840877 -5.064400 1.958323 2 6 0 7.106748 -5.165592 3.452598 3 8 0 6.494824 -6.301041 1.403255 4 8 0 2.794697 -1.538334 1.072577 5 6 0 3.598486 -2.410129 1.228550 6 7 0 4.944011 -2.064965 1.180289 7 6 0 6.037016 -2.846199 1.408905 8 8 0 7.155536 -2.414834 1.400504 9 7 0 5.733802 -4.155282 1.668915 10 6 0 4.425250 -4.594707 1.701917 11 6 0 3.343343 -3.841356 1.479725 12 1 0 7.699229 -4.650773 1.455326 13 1 0 7.360544 -4.193091 3.856158 14 1 0 7.939920 -5.836396 3.640903 15 1 0 5.135770 -1.099574 1.013162 16 1 0 4.349728 -5.634786 1.919962 17 6 0 1.932320 -4.429173 1.580655 18 1 0 6.234522 -5.549892 3.969807 19 1 0 7.218227 -6.908577 1.506978 20 6 0 1.881199 -5.951204 1.294569 21 6 0 0.495719 -6.568733 1.600129 22 6 0 -0.601270 -5.539524 1.920699 23 6 0 -0.558668 -4.245894 1.086326 24 6 0 0.855086 -3.810103 0.652222 25 1 0 1.589475 -4.269467 2.606160 26 1 0 2.108829 -6.073468 0.238086 27 1 0 2.630415 -6.518069 1.826693 28 1 0 0.195484 -7.202984 0.772225 29 1 0 0.583816 -7.225242 2.460643 30 1 0 -1.572779 -6.011158 1.817016 31 1 0 -0.516408 -5.272312 2.969643 32 1 0 -1.189001 -4.334935 0.207724 33 1 0 -0.993131 -3.452392 1.687898 34 1 0 1.049119 -4.172969 -0.355832 35 1 0 0.912263 -2.739443 0.616289 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521113 0.000000 3 O 1.398976 2.421467 0.000000 4 O 5.439601 6.116804 6.040171 0.000000 5 C 4.253331 4.984664 4.853709 1.196006 0.000000 6 N 3.633187 4.410749 4.516533 2.215512 1.389930 7 C 2.422492 3.271176 3.485047 3.512301 2.483770 8 O 2.725871 3.432221 3.941973 4.460124 3.561208 9 N 1.461461 2.467233 2.292163 3.980247 2.792679 10 C 2.474189 3.252880 2.698872 3.520822 2.383274 11 C 3.735992 4.450736 3.998466 2.402226 1.475329 12 H 1.077433 2.145966 2.043695 5.821357 4.678462 13 H 2.151978 1.083066 3.348083 5.970177 4.923044 14 H 2.152893 1.086099 2.703935 7.179342 6.033805 15 H 4.418208 5.134988 5.390219 2.382575 2.031549 16 H 2.555902 3.189087 2.304846 4.462858 3.382430 17 C 4.963877 5.551683 4.934754 3.059214 2.641330 18 H 2.156255 1.084421 2.686851 6.026519 4.931662 19 H 1.935741 2.614548 0.950353 6.971071 5.780665 20 C 5.081870 5.707946 4.628146 4.511893 3.936069 21 C 6.530877 7.007578 6.008301 5.555945 5.201848 22 C 7.457394 7.867661 7.155572 5.316148 5.283004 23 C 7.495573 8.074881 7.353627 4.310003 4.546668 24 C 6.253707 6.983032 6.210915 3.016574 3.133420 25 H 5.350592 5.653300 5.443962 3.356117 3.064485 26 H 5.135145 6.011366 4.543826 4.661998 4.076781 27 H 4.456285 4.950790 3.893592 5.039191 4.262641 28 H 7.081075 7.687713 6.394793 6.239741 5.895770 29 H 6.638703 6.911930 6.075544 6.257447 5.813055 30 H 8.467935 8.872672 8.083406 6.295648 6.328956 31 H 7.429377 7.639185 7.257357 5.338995 5.306208 32 H 8.250798 8.946433 8.020975 4.943562 5.259942 33 H 8.002711 8.465061 8.016564 4.288342 4.730777 34 H 6.300352 7.223871 6.105635 3.468241 3.480968 35 H 6.508068 7.232047 6.668529 2.279127 2.774726 6 7 8 9 10 6 N 0.000000 7 C 1.362810 0.000000 8 O 2.249832 1.198848 0.000000 9 N 2.287345 1.368664 2.263301 0.000000 10 C 2.634540 2.396023 3.506731 1.380758 0.000000 11 C 2.409847 2.872494 4.071125 2.418395 1.336948 12 H 3.788571 2.453893 2.301745 2.038145 3.283731 13 H 4.186744 3.091099 3.038826 2.726125 3.663060 14 H 5.408677 4.188572 4.164341 3.403211 4.201710 15 H 0.998340 2.004883 2.441188 3.181981 3.632517 16 H 3.693766 3.299141 4.302382 2.041474 1.065369 17 C 3.849682 4.402707 5.601072 3.812357 2.501360 18 H 4.646670 3.729233 4.156702 2.736744 3.054369 19 H 5.360910 4.231760 4.495442 3.132152 3.632178 20 C 4.949417 5.188924 6.351045 4.267086 2.911736 21 C 6.344091 6.678308 7.851618 5.767754 4.398676 22 C 6.585660 7.182115 8.378684 6.489427 5.119223 23 C 5.919861 6.750278 7.934762 6.320032 5.033891 24 C 4.477015 5.324854 6.496335 4.995466 3.803095 25 H 4.259794 4.820760 5.989516 4.250519 2.994170 26 H 4.999410 5.216965 6.340826 4.343631 3.113734 27 H 5.059714 5.026142 6.123309 3.903674 2.633690 28 H 7.008156 7.315082 8.471330 6.384787 5.055526 29 H 6.875978 7.072451 8.212882 6.047632 4.717202 30 H 7.645025 8.251817 9.449366 7.540049 6.164084 31 H 6.580657 7.160258 8.335833 6.481109 5.146480 32 H 6.611542 7.474924 8.645277 7.077609 5.815488 33 H 6.118192 7.061747 8.219483 6.763582 5.537502 34 H 4.687594 5.454698 6.592730 5.103544 3.976236 35 H 4.126501 5.186784 6.300700 5.134185 4.118454 11 12 13 14 15 11 C 0.000000 12 H 4.430518 0.000000 13 H 4.680711 2.467423 0.000000 14 H 5.457050 2.498076 1.755694 0.000000 15 H 3.308753 4.402027 4.754166 6.099653 0.000000 16 H 2.103096 3.521835 3.859061 3.986447 4.691300 17 C 1.531895 5.772525 5.890608 6.505086 4.655145 18 H 4.180732 3.045718 1.766847 1.760296 5.454754 19 H 4.941995 2.309050 3.593434 2.494804 6.190719 20 C 2.573637 5.963761 6.298883 6.498197 5.848909 21 C 3.944876 7.455877 7.606521 7.753528 7.196271 22 C 4.317199 8.360906 8.303576 8.717750 7.310979 23 C 3.942602 8.276047 8.389796 9.015629 6.506252 24 C 2.622434 6.942189 7.261740 7.951915 5.079518 25 H 2.127954 6.228877 5.905384 6.622243 5.016181 26 H 2.836903 5.895617 6.648817 6.755515 5.873903 27 H 2.791675 5.414572 5.647865 5.652157 6.024843 28 H 4.659411 7.955287 8.361111 8.370971 7.855959 29 H 4.475252 7.633326 7.554168 7.578533 7.767838 30 H 5.384242 9.378252 9.341720 9.687546 8.353111 31 H 4.377804 8.377121 7.999813 8.501662 7.292920 32 H 4.733260 8.980919 9.296554 9.868044 7.149757 33 H 4.358857 8.777661 8.662209 9.449714 6.599579 34 H 2.956806 6.908875 7.587843 8.137814 5.293451 35 H 2.805331 7.100709 7.361398 8.253931 4.548043 16 17 18 19 20 16 H 0.000000 17 C 2.722589 0.000000 18 H 2.785950 5.047078 0.000000 19 H 3.165657 5.838979 2.979803 0.000000 20 C 2.566101 1.549527 5.125366 5.426376 0.000000 21 C 3.978434 2.577192 6.291842 6.731737 1.547341 22 C 4.951915 2.787040 7.136317 7.949215 2.593101 23 C 5.168784 2.546169 7.494152 8.230853 2.984024 24 C 4.141154 1.551022 6.555271 7.128865 2.459640 25 H 3.154990 1.093028 5.007543 6.313157 2.152583 26 H 2.835979 2.130106 5.587595 5.330426 1.087621 27 H 1.935182 2.216158 4.303475 4.615489 1.079730 28 H 4.586315 3.371080 7.030450 7.067210 2.163661 29 H 4.123589 3.226584 6.083984 6.710079 2.160118 30 H 5.935347 3.852825 8.111796 8.842131 3.493782 31 H 4.991242 2.938782 6.830259 8.039983 3.002546 32 H 5.941287 3.411227 8.410594 8.887811 3.635888 33 H 5.776058 3.086077 7.864196 8.910912 3.828908 34 H 4.267338 2.143751 6.891696 7.000822 2.564819 35 H 4.679609 2.196749 6.889931 7.611845 3.422617 21 22 23 24 25 21 C 0.000000 22 C 1.537993 0.000000 23 C 2.602174 1.539958 0.000000 24 C 2.938999 2.592471 1.541773 0.000000 25 H 2.737705 2.623408 2.631534 2.137339 0.000000 26 H 2.168542 3.234335 3.342916 2.620344 3.021907 27 H 2.147283 3.377895 3.985119 3.444453 2.597563 28 H 1.085284 2.172765 3.067864 3.458485 3.729886 29 H 1.085933 2.130168 3.474268 3.873907 3.125561 30 H 2.153280 1.084904 2.162981 3.477919 3.695414 31 H 2.140251 1.085765 2.145274 3.064228 2.360628 32 H 3.125208 2.175027 1.084984 2.156692 3.671064 33 H 3.454846 2.136322 1.086412 2.148602 2.860187 34 H 3.141929 3.126315 2.161045 1.088803 3.012423 35 H 3.975540 3.439872 2.157306 1.072787 2.599842 26 27 28 29 30 26 H 0.000000 27 H 1.730143 0.000000 28 H 2.285169 2.740419 0.000000 29 H 2.931213 2.256225 1.732644 0.000000 30 H 4.006388 4.233662 2.374614 2.557178 0.000000 31 H 3.872354 3.572218 3.010470 2.298588 1.729266 32 H 3.728150 4.687758 3.234372 4.070921 2.355171 33 H 4.312094 4.748445 4.039580 4.161526 2.626775 34 H 2.255576 3.572591 3.343978 4.179164 3.869697 35 H 3.562378 4.323788 4.523415 4.861267 4.280339 31 32 33 34 35 31 H 0.000000 32 H 2.993201 0.000000 33 H 2.276454 1.734406 0.000000 34 H 3.836432 2.313657 2.977725 0.000000 35 H 3.740963 2.669800 2.299384 1.737454 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.060826 -1.234094 -0.147392 2 6 0 3.442254 -1.691822 1.252173 3 8 0 2.505054 -2.271240 -0.904081 4 8 0 -0.541250 2.827697 0.193433 5 6 0 0.149688 1.859215 0.070641 6 7 0 1.519607 2.054824 -0.059610 7 6 0 2.514548 1.125907 -0.126361 8 8 0 3.675427 1.421456 -0.173755 9 7 0 2.063666 -0.166270 -0.111433 10 6 0 0.716315 -0.453950 -0.019896 11 6 0 -0.270822 0.445298 0.046008 12 1 0 3.918676 -0.817552 -0.648838 13 1 0 3.858290 -0.866887 1.817353 14 1 0 4.191875 -2.475964 1.199247 15 1 0 1.822859 3.005848 -0.043033 16 1 0 0.522351 -1.501507 -0.015983 17 6 0 -1.733093 0.010212 0.184443 18 1 0 2.575882 -2.081546 1.775130 19 1 0 3.147264 -2.963197 -1.013318 20 6 0 -2.011965 -1.395655 -0.404455 21 6 0 -3.434844 -1.907578 -0.076406 22 6 0 -4.351945 -0.859280 0.575837 23 6 0 -4.211296 0.573778 0.029912 24 6 0 -2.796150 0.934866 -0.464091 25 1 0 -1.959280 -0.023521 1.253279 26 1 0 -1.897257 -1.305998 -1.482288 27 1 0 -1.300866 -2.145722 -0.092117 28 1 0 -3.889220 -2.305856 -0.977937 29 1 0 -3.359169 -2.743602 0.612497 30 1 0 -5.383020 -1.185417 0.489023 31 1 0 -4.139527 -0.841547 1.640473 32 1 0 -4.923269 0.751651 -0.769241 33 1 0 -4.480954 1.257995 0.829551 34 1 0 -2.742410 0.784427 -1.541111 35 1 0 -2.600067 1.973856 -0.282642 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8019016 0.2833302 0.2210621 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1272.6456953634 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.87D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999996 0.002889 0.000356 -0.000155 Ang= 0.33 deg. 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) = -798.417315480 A.U. after 13 cycles NFock= 13 Conv=0.64D-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 0.000970645 -0.000607690 -0.000530333 2 6 -0.000290364 -0.000524030 -0.000197511 3 8 0.001347258 -0.000797916 0.001027020 4 8 -0.004100327 -0.000950870 0.001002721 5 6 0.000181455 0.000626333 -0.000237796 6 7 0.000636658 -0.000849099 -0.000006965 7 6 -0.000225737 -0.000499353 0.001377867 8 8 0.000812034 0.000987283 -0.000683765 9 7 -0.000540977 -0.000765413 -0.000598838 10 6 0.002169717 0.000033883 -0.000781823 11 6 0.000645635 -0.001180796 -0.002742310 12 1 0.000222066 0.000051440 0.000172355 13 1 -0.000003603 0.000122280 -0.000233208 14 1 0.000111723 -0.000133705 0.000102450 15 1 -0.000441185 -0.000101084 0.000021772 16 1 0.000469023 -0.000535904 -0.000851829 17 6 -0.007962078 -0.000862601 0.004341267 18 1 -0.000136638 -0.000138687 0.000216239 19 1 -0.002474047 0.002437565 -0.000203840 20 6 -0.000908593 0.004370196 -0.003923158 21 6 -0.000858400 0.000787474 0.001348143 22 6 0.000674325 0.000065299 0.000056437 23 6 -0.000541894 0.001537914 0.001442512 24 6 0.005818905 -0.007538657 -0.001394150 25 1 0.003543551 0.001543706 -0.001956093 26 1 0.001350461 -0.001039198 0.001327110 27 1 0.000670053 0.000624496 0.003384987 28 1 -0.000603122 0.001251397 -0.000957333 29 1 -0.000471277 -0.001394521 -0.000934868 30 1 -0.000790970 -0.000001338 0.000566268 31 1 0.000408163 0.000035190 0.000092393 32 1 0.000150124 -0.001029692 -0.000664986 33 1 -0.001507463 -0.000312723 -0.000817940 34 1 0.000754299 0.001912012 -0.000070055 35 1 0.000920581 0.002876809 0.001307259 ------------------------------------------------------------------- Cartesian Forces: Max 0.007962078 RMS 0.001803465 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009954268 RMS 0.001485264 Search for a local minimum. Step number 9 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 8 9 DE= -2.59D-03 DEPred=-2.17D-03 R= 1.19D+00 TightC=F SS= 1.41D+00 RLast= 8.56D-01 DXNew= 5.0454D+00 2.5690D+00 Trust test= 1.19D+00 RLast= 8.56D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00016 0.00256 0.00391 0.00442 0.00506 Eigenvalues --- 0.00804 0.01379 0.01457 0.01474 0.01723 Eigenvalues --- 0.01784 0.01865 0.01935 0.01940 0.02042 Eigenvalues --- 0.02338 0.02504 0.02968 0.03303 0.03374 Eigenvalues --- 0.03666 0.04430 0.04656 0.04762 0.04831 Eigenvalues --- 0.05068 0.05194 0.05215 0.05299 0.05649 Eigenvalues --- 0.05729 0.05995 0.06286 0.06721 0.08048 Eigenvalues --- 0.08203 0.08459 0.08592 0.08689 0.08761 Eigenvalues --- 0.09131 0.09912 0.12047 0.12458 0.15453 Eigenvalues --- 0.15790 0.15982 0.16004 0.16016 0.16083 Eigenvalues --- 0.16195 0.18356 0.18524 0.19922 0.20437 Eigenvalues --- 0.21143 0.22870 0.23829 0.24868 0.24976 Eigenvalues --- 0.25090 0.25541 0.26438 0.26859 0.27350 Eigenvalues --- 0.28290 0.28499 0.29340 0.29931 0.30369 Eigenvalues --- 0.33822 0.34437 0.34750 0.34782 0.34787 Eigenvalues --- 0.34795 0.34802 0.34811 0.34819 0.34826 Eigenvalues --- 0.34836 0.34854 0.34876 0.34884 0.34930 Eigenvalues --- 0.35037 0.35852 0.37013 0.38185 0.43235 Eigenvalues --- 0.44517 0.47556 0.48934 0.50512 0.55106 Eigenvalues --- 0.57103 0.70371 0.88564 0.96848 RFO step: Lambda=-2.93444291D-03 EMin= 1.60097129D-04 Quartic linear search produced a step of 0.64021. Iteration 1 RMS(Cart)= 0.14965524 RMS(Int)= 0.01092012 Iteration 2 RMS(Cart)= 0.03680911 RMS(Int)= 0.00095629 Iteration 3 RMS(Cart)= 0.00058304 RMS(Int)= 0.00088613 Iteration 4 RMS(Cart)= 0.00000025 RMS(Int)= 0.00088613 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87449 -0.00012 0.00038 0.00050 0.00088 2.87537 R2 2.64368 -0.00150 0.00198 0.00068 0.00266 2.64634 R3 2.76176 -0.00038 -0.00263 -0.00421 -0.00684 2.75492 R4 2.03605 0.00012 -0.00071 -0.00073 -0.00144 2.03462 R5 2.04670 0.00002 0.00021 0.00027 0.00048 2.04718 R6 2.05243 0.00019 -0.00039 -0.00034 -0.00073 2.05170 R7 2.04926 0.00026 -0.00015 0.00018 0.00004 2.04930 R8 1.79591 -0.00346 0.00638 0.00887 0.01526 1.81116 R9 2.26012 0.00193 -0.00033 0.00034 0.00002 2.26014 R10 2.62659 0.00022 -0.00191 -0.00283 -0.00471 2.62188 R11 2.78797 -0.00277 0.00162 0.00220 0.00381 2.79178 R12 2.57534 0.00094 0.00044 0.00128 0.00175 2.57709 R13 1.88659 -0.00019 0.00160 0.00356 0.00516 1.89175 R14 2.26549 0.00112 -0.00056 -0.00013 -0.00069 2.26480 R15 2.58640 0.00120 -0.00025 -0.00020 -0.00044 2.58596 R16 2.60925 -0.00038 0.00212 0.00267 0.00477 2.61402 R17 2.52646 0.00104 -0.00148 -0.00095 -0.00245 2.52401 R18 2.01326 0.00032 -0.00111 -0.00035 -0.00147 2.01179 R19 2.89486 -0.00147 -0.01231 -0.01399 -0.02629 2.86857 R20 2.92818 -0.00385 0.00843 0.00413 0.01355 2.94173 R21 2.93101 -0.00497 0.01409 0.01132 0.02577 2.95678 R22 2.06552 -0.00272 0.00351 0.00018 0.00369 2.06921 R23 2.92405 0.00135 0.00381 0.00938 0.01294 2.93699 R24 2.05531 -0.00089 0.00132 0.00001 0.00133 2.05663 R25 2.04039 0.00181 -0.00311 -0.00035 -0.00346 2.03693 R26 2.90639 -0.00070 -0.00603 -0.00657 -0.01375 2.89263 R27 2.05089 0.00017 -0.00027 -0.00041 -0.00068 2.05021 R28 2.05212 0.00006 0.00016 -0.00001 0.00015 2.05227 R29 2.91010 -0.00021 -0.00552 -0.00683 -0.01274 2.89736 R30 2.05017 0.00065 0.00003 0.00098 0.00101 2.05119 R31 2.05180 0.00013 0.00055 0.00075 0.00131 2.05311 R32 2.91353 0.00170 0.00265 0.00738 0.01043 2.92396 R33 2.05032 0.00054 -0.00062 -0.00025 -0.00087 2.04945 R34 2.05302 -0.00008 0.00036 0.00002 0.00037 2.05339 R35 2.05754 -0.00044 -0.00051 -0.00591 -0.00642 2.05112 R36 2.02727 0.00288 -0.00123 0.00499 0.00376 2.03104 A1 1.95433 -0.00008 0.00079 0.00014 0.00089 1.95522 A2 1.94800 0.00073 -0.00076 -0.00122 -0.00199 1.94600 A3 1.92293 -0.00024 0.00117 0.00385 0.00501 1.92794 A4 1.85868 -0.00126 -0.00066 -0.00876 -0.00942 1.84926 A5 1.92964 0.00055 0.00027 0.00392 0.00417 1.93381 A6 1.84650 0.00029 -0.00097 0.00184 0.00087 1.84737 A7 1.92544 -0.00043 0.00087 0.00017 0.00104 1.92649 A8 1.92356 0.00013 -0.00038 -0.00049 -0.00088 1.92268 A9 1.92999 0.00022 0.00110 0.00209 0.00319 1.93318 A10 1.88621 0.00011 -0.00016 -0.00012 -0.00028 1.88593 A11 1.90601 0.00010 -0.00118 -0.00116 -0.00234 1.90366 A12 1.89172 -0.00013 -0.00031 -0.00056 -0.00087 1.89086 A13 1.91081 -0.00058 0.00025 -0.00212 -0.00187 1.90894 A14 2.05448 0.00442 0.00019 0.00314 0.00320 2.05769 A15 2.23079 -0.00412 -0.00244 -0.00617 -0.00874 2.22205 A16 1.99790 -0.00030 0.00252 0.00306 0.00545 2.00334 A17 2.25006 -0.00004 -0.00228 -0.00204 -0.00438 2.24568 A18 2.01738 -0.00036 0.00261 0.00237 0.00486 2.02224 A19 2.01348 0.00040 -0.00101 -0.00090 -0.00203 2.01145 A20 2.14224 -0.00075 -0.00098 -0.00310 -0.00426 2.13797 A21 1.98503 -0.00021 -0.00003 -0.00075 -0.00093 1.98410 A22 2.15577 0.00097 0.00094 0.00372 0.00448 2.16025 A23 2.05418 0.00160 0.00115 0.00413 0.00527 2.05945 A24 2.11203 -0.00159 -0.00289 -0.00681 -0.00972 2.10231 A25 2.11635 -0.00000 0.00193 0.00291 0.00479 2.12114 A26 2.19397 -0.00112 -0.00187 -0.00274 -0.00468 2.18929 A27 1.96359 0.00011 -0.00132 -0.00208 -0.00338 1.96021 A28 2.12558 0.00100 0.00319 0.00475 0.00797 2.13355 A29 2.02082 0.00169 -0.00081 -0.00066 -0.00154 2.01929 A30 2.14452 -0.00995 -0.00874 -0.01761 -0.02632 2.11820 A31 2.11556 0.00827 0.00930 0.01851 0.02783 2.14339 A32 1.97701 0.00323 0.01943 0.02001 0.03931 2.01632 A33 2.03436 -0.00521 0.00974 -0.01020 -0.00145 2.03290 A34 1.86990 0.00005 -0.00020 -0.00711 -0.00664 1.86326 A35 1.83239 0.00026 -0.00407 0.01282 0.00859 1.84098 A36 1.88220 -0.00038 -0.01272 -0.01152 -0.02492 1.85728 A37 1.86027 0.00228 -0.01531 -0.00594 -0.02199 1.83828 A38 1.96610 0.00003 -0.00967 0.00189 -0.01093 1.95517 A39 1.85757 0.00059 0.00210 0.01165 0.01533 1.87290 A40 1.98429 -0.00128 0.00823 -0.01032 -0.00188 1.98240 A41 1.91172 -0.00073 -0.00423 -0.00369 -0.00742 1.90430 A42 1.89068 0.00118 0.00504 0.00210 0.00867 1.89935 A43 1.84884 0.00018 -0.00149 -0.00172 -0.00373 1.84511 A44 1.99626 0.00009 -0.01332 0.00200 -0.01685 1.97941 A45 1.90741 -0.00025 0.00621 0.00266 0.01100 1.91841 A46 1.90193 0.00059 0.00277 0.00152 0.00530 1.90723 A47 1.93132 -0.00051 0.00379 -0.00541 -0.00058 1.93074 A48 1.87262 0.00014 -0.00155 -0.00163 -0.00080 1.87182 A49 1.84796 -0.00004 0.00327 0.00080 0.00316 1.85111 A50 2.01472 -0.00080 -0.01106 -0.00320 -0.02035 1.99436 A51 1.90485 0.00032 0.00277 -0.00256 0.00263 1.90748 A52 1.88631 0.00025 0.00172 0.00429 0.00724 1.89356 A53 1.91578 0.00025 0.00288 -0.00547 -0.00120 1.91458 A54 1.89077 0.00023 0.00278 0.00790 0.01287 1.90364 A55 1.84347 -0.00020 0.00203 -0.00046 0.00064 1.84411 A56 1.99914 -0.00076 -0.01463 -0.00518 -0.02308 1.97606 A57 1.93236 0.00030 0.00185 -0.00857 -0.00603 1.92634 A58 1.87809 -0.00036 0.00172 0.00395 0.00692 1.88500 A59 1.90489 0.00017 0.00348 -0.00219 0.00139 1.90628 A60 1.89248 0.00095 0.00507 0.01169 0.01832 1.91079 A61 1.85043 -0.00026 0.00408 0.00141 0.00493 1.85537 A62 1.93425 0.00093 -0.00995 0.00798 -0.00335 1.93089 A63 1.87277 -0.00056 0.00096 0.01086 0.01208 1.88486 A64 1.96208 -0.00082 0.00175 -0.01781 -0.01581 1.94627 A65 1.90698 0.00087 -0.01125 -0.01294 -0.02438 1.88261 A66 1.91814 -0.00035 0.01224 0.00951 0.02280 1.94094 A67 1.86722 -0.00006 0.00619 0.00195 0.00815 1.87537 D1 -3.13015 0.00053 -0.00045 0.00643 0.00599 -3.12416 D2 1.07148 0.00059 -0.00056 0.00679 0.00623 1.07772 D3 -1.01979 0.00052 -0.00063 0.00647 0.00584 -1.01396 D4 -1.04820 -0.00062 -0.00127 -0.00548 -0.00675 -1.05495 D5 -3.12975 -0.00057 -0.00139 -0.00512 -0.00651 -3.13626 D6 1.06215 -0.00063 -0.00146 -0.00544 -0.00690 1.05525 D7 0.99781 0.00005 -0.00220 -0.00151 -0.00372 0.99408 D8 -1.08375 0.00010 -0.00232 -0.00115 -0.00348 -1.08723 D9 3.10816 0.00003 -0.00239 -0.00148 -0.00387 3.10429 D10 -1.08580 0.00001 -0.00067 -0.00484 -0.00551 -1.09130 D11 3.06361 -0.00002 0.00023 0.00240 0.00262 3.06624 D12 1.06566 0.00005 0.00160 0.00309 0.00470 1.07036 D13 1.61982 0.00023 0.01610 0.00878 0.02485 1.64467 D14 -1.48439 0.00023 0.01100 0.00185 0.01286 -1.47154 D15 -2.52560 -0.00025 0.01619 0.00245 0.01862 -2.50697 D16 0.65337 -0.00024 0.01108 -0.00449 0.00663 0.66001 D17 -0.47183 -0.00007 0.01571 0.00367 0.01935 -0.45248 D18 2.70714 -0.00007 0.01061 -0.00327 0.00736 2.71450 D19 3.06173 -0.00028 0.00029 -0.00244 -0.00202 3.05972 D20 -0.00348 -0.00033 0.01341 0.00719 0.02073 0.01725 D21 -0.07407 0.00020 -0.01497 -0.00722 -0.02222 -0.09629 D22 -3.13929 0.00015 -0.00185 0.00241 0.00053 -3.13876 D23 -3.07101 0.00027 -0.00402 -0.00293 -0.00685 -3.07786 D24 -0.00139 0.00069 -0.00777 0.00166 -0.00597 -0.00736 D25 0.06410 -0.00024 0.01316 0.00246 0.01565 0.07975 D26 3.13371 0.00019 0.00941 0.00706 0.01654 -3.13293 D27 -3.07604 -0.00036 0.02050 0.01153 0.03191 -3.04412 D28 0.04759 0.00009 0.00318 0.00358 0.00677 0.05436 D29 -0.01068 -0.00034 0.00750 0.00204 0.00953 -0.00114 D30 3.11295 0.00011 -0.00982 -0.00591 -0.01561 3.09734 D31 -3.11678 -0.00026 0.00519 -0.00206 0.00307 -3.11371 D32 -0.01266 -0.00030 0.01017 0.00467 0.01487 0.00221 D33 0.00669 0.00017 -0.01228 -0.01016 -0.02254 -0.01586 D34 3.11080 0.00013 -0.00729 -0.00343 -0.01074 3.10006 D35 3.11734 0.00022 -0.00603 -0.00238 -0.00849 3.10885 D36 -0.03471 -0.00015 -0.00553 -0.01001 -0.01554 -0.05025 D37 0.01446 0.00019 -0.01130 -0.00958 -0.02090 -0.00644 D38 -3.13759 -0.00018 -0.01080 -0.01721 -0.02795 3.11764 D39 -0.04101 0.00007 -0.00138 0.00554 0.00420 -0.03681 D40 -3.11192 0.00047 0.00303 0.00263 0.00574 -3.10618 D41 3.11195 0.00048 -0.00189 0.01388 0.01199 3.12394 D42 0.04104 0.00087 0.00252 0.01096 0.01353 0.05457 D43 2.74852 0.00064 0.11125 0.15795 0.26995 3.01847 D44 0.61940 0.00177 0.09322 0.13137 0.22384 0.84324 D45 -1.46131 0.00209 0.10681 0.15076 0.25762 -1.20368 D46 -0.46886 0.00076 0.10689 0.16191 0.26951 -0.19935 D47 -2.59799 0.00190 0.08886 0.13534 0.22341 -2.37458 D48 1.60450 0.00222 0.10245 0.15472 0.25719 1.86168 D49 2.99537 0.00362 -0.01551 0.03611 0.02030 3.01568 D50 -1.19252 0.00312 -0.02506 0.04028 0.01470 -1.17782 D51 0.83599 0.00302 -0.02114 0.03995 0.01888 0.85487 D52 -1.04949 -0.00067 0.00657 0.04635 0.05370 -0.99579 D53 1.04581 -0.00117 -0.00298 0.05051 0.04810 1.09390 D54 3.07431 -0.00127 0.00094 0.05018 0.05228 3.12659 D55 0.92913 0.00188 -0.01869 0.04062 0.02220 0.95132 D56 3.02442 0.00138 -0.02824 0.04479 0.01660 3.04102 D57 -1.23026 0.00128 -0.02432 0.04445 0.02078 -1.20948 D58 -2.90461 0.00133 0.04389 0.00774 0.05099 -2.85361 D59 1.29781 0.00009 0.06286 0.01225 0.07512 1.37292 D60 -0.75039 0.00097 0.05376 0.01313 0.06667 -0.68372 D61 1.17530 0.00049 0.01524 -0.02196 -0.00777 1.16753 D62 -0.90547 -0.00075 0.03421 -0.01746 0.01635 -0.88912 D63 -2.95367 0.00014 0.02511 -0.01658 0.00791 -2.94576 D64 -0.81872 -0.00017 0.03849 -0.01216 0.02572 -0.79299 D65 -2.89949 -0.00141 0.05745 -0.00765 0.04984 -2.84964 D66 1.33550 -0.00052 0.04835 -0.00678 0.04140 1.37690 D67 0.14964 0.00030 -0.06409 -0.05433 -0.11682 0.03282 D68 2.32559 -0.00050 -0.06392 -0.05789 -0.12140 2.20420 D69 -1.94578 -0.00036 -0.05522 -0.05466 -0.10853 -2.05432 D70 -1.91413 0.00004 -0.05768 -0.06765 -0.12426 -2.03839 D71 0.26182 -0.00077 -0.05751 -0.07121 -0.12884 0.13299 D72 2.27363 -0.00063 -0.04881 -0.06798 -0.11597 2.15766 D73 2.36004 -0.00044 -0.05644 -0.06479 -0.12058 2.23946 D74 -1.74719 -0.00124 -0.05627 -0.06836 -0.12516 -1.87235 D75 0.26462 -0.00111 -0.04757 -0.06512 -0.11230 0.15232 D76 0.67090 -0.00049 0.10935 0.05065 0.16022 0.83112 D77 2.83782 -0.00049 0.10722 0.03891 0.14588 2.98371 D78 -1.44865 -0.00043 0.11192 0.03932 0.15189 -1.29676 D79 -1.49232 0.00018 0.10810 0.04990 0.15876 -1.33356 D80 0.67461 0.00018 0.10597 0.03817 0.14443 0.81903 D81 2.67132 0.00024 0.11067 0.03858 0.15043 2.82175 D82 2.78260 0.00042 0.10312 0.05268 0.15576 2.93837 D83 -1.33366 0.00042 0.10099 0.04095 0.14143 -1.19223 D84 0.66305 0.00048 0.10569 0.04135 0.14744 0.81049 D85 -0.54620 -0.00008 -0.08877 -0.02855 -0.11587 -0.66206 D86 1.61668 -0.00019 -0.09387 -0.04233 -0.13580 1.48088 D87 -2.65165 -0.00054 -0.08706 -0.04294 -0.12920 -2.78085 D88 -2.70740 -0.00011 -0.08650 -0.01828 -0.10342 -2.81082 D89 -0.54452 -0.00022 -0.09160 -0.03205 -0.12335 -0.66787 D90 1.47033 -0.00057 -0.08479 -0.03267 -0.11675 1.35358 D91 1.57095 -0.00013 -0.09193 -0.01916 -0.11068 1.46027 D92 -2.54936 -0.00024 -0.09703 -0.03294 -0.13061 -2.67997 D93 -0.53450 -0.00059 -0.09022 -0.03356 -0.12401 -0.65851 D94 -0.38476 0.00035 0.02912 0.01709 0.04567 -0.33910 D95 1.67530 0.00075 0.01693 0.02720 0.04363 1.71893 D96 -2.56406 0.00099 0.02504 0.02749 0.05203 -2.51204 D97 -2.56222 0.00037 0.03477 0.03402 0.06911 -2.49312 D98 -0.50216 0.00078 0.02258 0.04413 0.06707 -0.43509 D99 1.54166 0.00101 0.03069 0.04441 0.07546 1.61713 D100 1.71271 0.00008 0.02547 0.02721 0.05240 1.76511 D101 -2.51041 0.00049 0.01328 0.03732 0.05037 -2.46004 D102 -0.46659 0.00072 0.02139 0.03760 0.05876 -0.40783 Item Value Threshold Converged? Maximum Force 0.009954 0.000450 NO RMS Force 0.001485 0.000300 NO Maximum Displacement 0.727626 0.001800 NO RMS Displacement 0.182381 0.001200 NO Predicted change in Energy=-3.588343D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.865000 -5.015795 1.864674 2 6 0 7.125290 -5.267403 3.342560 3 8 0 6.538181 -6.193459 1.181034 4 8 0 2.719831 -1.545710 1.351040 5 6 0 3.555098 -2.399123 1.417864 6 7 0 4.886041 -2.009611 1.374755 7 6 0 6.003701 -2.777490 1.519588 8 8 0 7.106083 -2.308960 1.559474 9 7 0 5.738457 -4.111858 1.666934 10 6 0 4.443007 -4.596875 1.661192 11 6 0 3.339579 -3.856755 1.524689 12 1 0 7.712978 -4.532595 1.410057 13 1 0 7.358037 -4.338025 3.848202 14 1 0 7.970472 -5.937846 3.464835 15 1 0 5.050795 -1.024663 1.304913 16 1 0 4.407522 -5.655995 1.763012 17 6 0 1.942024 -4.447424 1.571710 18 1 0 6.259775 -5.720044 3.813741 19 1 0 7.278251 -6.801035 1.222589 20 6 0 1.868087 -6.001224 1.512168 21 6 0 0.423668 -6.525308 1.745610 22 6 0 -0.605518 -5.408144 1.934854 23 6 0 -0.519586 -4.288660 0.890765 24 6 0 0.933239 -3.939524 0.488868 25 1 0 1.507260 -4.153562 2.532756 26 1 0 2.200918 -6.303489 0.521053 27 1 0 2.532225 -6.491440 2.205329 28 1 0 0.131818 -7.179786 0.931030 29 1 0 0.404624 -7.136122 2.643367 30 1 0 -1.603290 -5.835488 1.931770 31 1 0 -0.472451 -4.981103 2.924965 32 1 0 -1.081096 -4.556919 0.002547 33 1 0 -1.003334 -3.407248 1.302855 34 1 0 1.153755 -4.452716 -0.441783 35 1 0 1.044561 -2.885600 0.309983 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521580 0.000000 3 O 1.400382 2.423731 0.000000 4 O 5.430262 6.101248 6.017497 0.000000 5 C 4.242883 4.967671 4.832375 1.196015 0.000000 6 N 3.632278 4.415847 4.502408 2.215453 1.387438 7 C 2.422999 3.283421 3.474065 3.511339 2.479751 8 O 2.734634 3.454294 3.943990 4.457040 3.554951 9 N 1.457842 2.462989 2.282262 3.974545 2.786136 10 C 2.466364 3.235931 2.677571 3.517832 2.382793 11 C 3.726601 4.430145 3.976095 2.398994 1.477345 12 H 1.076673 2.149393 2.047210 5.818632 4.673299 13 H 2.153332 1.083322 3.350908 5.962030 4.912049 14 H 2.152385 1.085715 2.707867 7.164372 6.017323 15 H 4.419706 5.143576 5.379973 2.388935 2.034455 16 H 2.541533 3.167371 2.273164 4.462338 3.384223 17 C 4.964330 5.538459 4.932132 3.012246 2.611745 18 H 2.158964 1.084440 2.689383 6.001763 4.907546 19 H 1.941683 2.621012 0.958426 6.958027 5.768607 20 C 5.105338 5.614892 4.685763 4.539056 3.978697 21 C 6.616915 7.003164 6.149482 5.497676 5.190248 22 C 7.481143 7.859188 7.226160 5.130027 5.160641 23 C 7.483939 8.087853 7.316050 4.269596 4.522304 24 C 6.183607 6.946101 6.080681 3.108954 3.179625 25 H 5.467646 5.784348 5.594506 3.109288 2.917993 26 H 5.021667 5.769213 4.388568 4.857428 4.228729 27 H 4.589827 4.887515 4.145558 5.022474 4.291087 28 H 7.133743 7.640768 6.486665 6.214260 5.900050 29 H 6.843873 7.010587 6.375543 6.187325 5.819493 30 H 8.508133 8.860088 8.183843 6.117909 6.219459 31 H 7.413745 7.614593 7.325303 4.946699 5.015887 32 H 8.174261 8.888490 7.881654 5.033176 5.305988 33 H 8.050698 8.584585 8.040663 4.162884 4.669994 34 H 6.185073 7.116474 5.886914 3.757325 3.666331 35 H 6.390017 7.200332 6.471516 2.384457 2.786909 6 7 8 9 10 6 N 0.000000 7 C 1.363738 0.000000 8 O 2.247737 1.198481 0.000000 9 N 2.287231 1.368431 2.265478 0.000000 10 C 2.640504 2.401246 3.512389 1.383281 0.000000 11 C 2.413703 2.874436 4.072276 2.416594 1.335651 12 H 3.789230 2.452349 2.309805 2.035126 3.280230 13 H 4.201216 3.113187 3.069016 2.726191 3.653411 14 H 5.414165 4.200002 4.188840 3.398319 4.182623 15 H 1.001071 2.006619 2.436890 3.183506 3.641022 16 H 3.698085 3.300429 4.304219 2.040827 1.064594 17 C 3.827396 4.391881 5.589337 3.812424 2.507042 18 H 4.647914 3.739964 4.175338 2.732547 3.032428 19 H 5.357571 4.231028 4.507979 3.130508 3.617914 20 C 5.005986 5.243645 6.408717 4.309689 2.936769 21 C 6.359388 6.725622 7.903601 5.837628 4.458818 22 C 6.482357 7.125627 8.319534 6.480598 5.120610 23 C 5.886349 6.725498 7.906783 6.308470 5.031489 24 C 4.487092 5.303046 6.473711 4.950521 3.758314 25 H 4.165771 4.810204 5.974668 4.319075 3.094311 26 H 5.135765 5.281184 6.410556 4.316303 3.039640 27 H 5.130018 5.129796 6.231408 4.028920 2.745277 28 H 7.037772 7.362447 8.529962 6.433361 5.078475 29 H 6.926296 7.184025 8.329818 6.208813 4.870418 30 H 7.553742 8.208993 9.403626 7.546011 6.177789 31 H 6.320312 6.983663 8.151018 6.396374 5.089841 32 H 6.631626 7.460706 8.631758 7.033816 5.767878 33 H 6.053370 7.038616 8.187474 6.788282 5.586255 34 H 4.816485 5.493208 6.635581 5.057901 3.906720 35 H 4.081429 5.105674 6.215770 5.037627 4.037780 11 12 13 14 15 11 C 0.000000 12 H 4.426795 0.000000 13 H 4.666726 2.471516 0.000000 14 H 5.435096 2.502628 1.755413 0.000000 15 H 3.316218 4.404981 4.771798 6.109758 0.000000 16 H 2.105840 3.508938 3.845854 3.958567 4.698179 17 C 1.517980 5.773846 5.876017 6.492108 4.631515 18 H 4.152005 3.049513 1.765599 1.759448 5.459162 19 H 4.926782 2.317316 3.600920 2.500386 6.191511 20 C 2.600806 6.027441 6.193773 6.407497 5.910900 21 C 3.958853 7.564227 7.569053 7.762415 7.201500 22 C 4.258971 8.380893 8.259797 8.727487 7.183704 23 C 3.934661 8.252531 8.414619 9.023676 6.469492 24 C 2.621116 6.867691 7.260988 7.897614 5.110441 25 H 2.112271 6.317836 5.999668 6.769457 4.884081 26 H 2.879296 5.857406 6.444288 6.487473 6.049978 27 H 2.838425 5.595510 5.533957 5.609576 6.086016 28 H 4.656683 8.044319 8.294801 8.331091 7.888070 29 H 4.540886 7.855663 7.591503 7.704072 7.792835 30 H 5.339762 9.421388 9.285498 9.696271 8.234915 31 H 4.213847 8.336507 7.910907 8.514092 6.984571 32 H 4.727528 8.906032 9.276634 9.789039 7.195351 33 H 4.371746 8.789311 8.789633 9.571169 6.506088 34 H 3.000002 6.816091 7.543887 7.995930 5.476259 35 H 2.772321 6.956331 7.381633 8.199850 4.528010 16 17 18 19 20 16 H 0.000000 17 C 2.752439 0.000000 18 H 2.764133 5.028840 0.000000 19 H 3.137557 5.842661 2.986621 0.000000 20 C 2.575041 1.556697 4.966208 5.476625 0.000000 21 C 4.077634 2.579389 6.243857 6.880035 1.554190 22 C 5.022104 2.746784 7.124587 8.037492 2.578590 23 C 5.187177 2.558987 7.520132 8.199292 3.003331 24 C 4.079259 1.564658 6.526639 6.998983 2.484289 25 H 3.355790 1.094981 5.165383 6.483054 2.141413 26 H 2.613583 2.148461 5.258947 5.149662 1.088324 27 H 2.100083 2.219867 4.132392 4.856582 1.077898 28 H 4.614735 3.339628 6.927678 7.162399 2.177466 29 H 4.357636 3.277368 6.136598 7.026922 2.170099 30 H 6.015858 3.824345 8.085971 8.961974 3.500570 31 H 5.061595 2.818830 6.830726 8.141475 2.918007 32 H 5.867890 3.407861 8.352631 8.740895 3.614230 33 H 5.877582 3.135184 8.025355 8.950356 3.875252 34 H 4.110474 2.162302 6.766612 6.767140 2.593467 35 H 4.593026 2.199248 6.892666 7.417707 3.439558 21 22 23 24 25 21 C 0.000000 22 C 1.530716 0.000000 23 C 2.573535 1.533216 0.000000 24 C 2.919819 2.572060 1.547294 0.000000 25 H 2.723774 2.528891 2.611989 2.133726 0.000000 26 H 2.169645 3.267500 3.405490 2.682606 3.024945 27 H 2.158356 3.330483 3.986712 3.466305 2.573603 28 H 1.084923 2.165650 2.963875 3.367058 3.689904 29 H 1.086012 2.123272 3.468979 3.890956 3.181777 30 H 2.149201 1.085441 2.156568 3.480033 3.586862 31 H 2.139738 1.086458 2.149342 2.999237 2.181263 32 H 3.029380 2.164387 1.084522 2.162229 3.642011 33 H 3.457552 2.135712 1.086608 2.167074 2.893566 34 H 3.100540 3.107456 2.145383 1.085405 3.010372 35 H 3.961567 3.424354 2.180009 1.074778 2.600488 26 27 28 29 30 26 H 0.000000 27 H 1.726812 0.000000 28 H 2.284108 2.803500 0.000000 29 H 2.902441 2.265872 1.734482 0.000000 30 H 4.084255 4.196140 2.412305 2.495944 0.000000 31 H 3.830718 3.439051 3.029047 2.343644 1.730667 32 H 3.753794 4.653033 3.035238 3.979144 2.372621 33 H 4.389380 4.777748 3.957128 4.205213 2.579115 34 H 2.334301 3.614385 3.219608 4.156923 3.891929 35 H 3.614371 4.336769 4.433828 4.890924 4.282891 31 32 33 34 35 31 H 0.000000 32 H 3.015114 0.000000 33 H 2.321658 1.737410 0.000000 34 H 3.776073 2.280975 2.964759 0.000000 35 H 3.678395 2.721441 2.334906 1.741531 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.078924 -1.204973 -0.195937 2 6 0 3.429897 -1.735053 1.186465 3 8 0 2.533950 -2.199836 -1.017107 4 8 0 -0.575299 2.781167 0.299118 5 6 0 0.136515 1.833460 0.139041 6 7 0 1.499649 2.059318 0.013185 7 6 0 2.508693 1.147478 -0.087602 8 8 0 3.664517 1.464304 -0.094633 9 7 0 2.075318 -0.149988 -0.124640 10 6 0 0.729726 -0.465213 -0.065665 11 6 0 -0.268389 0.416328 0.037367 12 1 0 3.942639 -0.758345 -0.658264 13 1 0 3.832188 -0.941085 1.804011 14 1 0 4.181639 -2.514540 1.108599 15 1 0 1.792321 3.014168 0.082101 16 1 0 0.557114 -1.513811 -0.128984 17 6 0 -1.724721 0.001248 0.142580 18 1 0 2.554554 -2.152491 1.671780 19 1 0 3.183646 -2.891252 -1.152822 20 6 0 -2.017771 -1.498777 -0.152973 21 6 0 -3.494854 -1.874866 0.150814 22 6 0 -4.339146 -0.689346 0.624952 23 6 0 -4.190658 0.572995 -0.232484 24 6 0 -2.744182 0.805766 -0.730120 25 1 0 -2.029106 0.177517 1.179528 26 1 0 -1.817733 -1.665694 -1.209654 27 1 0 -1.369881 -2.177434 0.377617 28 1 0 -3.944395 -2.340099 -0.720123 29 1 0 -3.519771 -2.623036 0.937607 30 1 0 -5.382860 -0.984947 0.663204 31 1 0 -4.062389 -0.457088 1.649575 32 1 0 -4.859235 0.530847 -1.085371 33 1 0 -4.510014 1.423433 0.363741 34 1 0 -2.678844 0.435994 -1.748503 35 1 0 -2.504200 1.853191 -0.751518 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8084582 0.2824153 0.2222176 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1273.1222797953 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.91D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999978 0.006475 0.001079 -0.000259 Ang= 0.75 deg. 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) = -798.420937104 A.U. after 13 cycles NFock= 13 Conv=0.82D-08 -V/T= 2.0014 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 -0.000945660 -0.001557069 -0.000253912 2 6 0.000595463 -0.000567792 -0.000380355 3 8 0.010910285 -0.006817906 0.001665671 4 8 -0.005883633 -0.002014736 0.002235353 5 6 -0.001522156 0.000494267 -0.003879367 6 7 0.002115953 0.000922976 -0.000041343 7 6 -0.001955290 0.000113030 0.006371146 8 8 0.001967020 -0.000055114 -0.002554397 9 7 -0.002005070 0.000263832 -0.002418461 10 6 0.001776137 0.000351812 -0.001920231 11 6 0.005602407 -0.000098132 -0.002959777 12 1 0.001136674 -0.000252460 0.000131307 13 1 0.000029877 0.000154698 -0.000512530 14 1 0.000396968 -0.000329050 0.000298149 15 1 -0.001273515 -0.002751035 0.000052840 16 1 -0.001431433 -0.001977165 -0.000688121 17 6 -0.020702749 -0.002556509 0.005529137 18 1 -0.000263696 -0.000161056 -0.000260781 19 1 -0.009334887 0.007717523 -0.000424101 20 6 -0.000165377 0.007078551 -0.008396312 21 6 0.001937297 0.001710564 0.003528414 22 6 -0.002883799 -0.000909495 0.000268744 23 6 0.001866692 0.004853839 0.002150597 24 6 0.007944637 -0.009815345 0.004103147 25 1 0.006466931 0.002161145 -0.003299015 26 1 0.001104390 0.000057893 0.001209144 27 1 0.002772912 0.001760798 0.006085070 28 1 -0.000306020 0.001365731 -0.001520249 29 1 0.000560964 -0.001863420 -0.001220811 30 1 -0.000783483 -0.000130677 0.000326573 31 1 -0.000311696 -0.000216785 -0.000489591 32 1 -0.000197473 -0.000847595 -0.000748148 33 1 -0.000512123 -0.000140418 -0.001018692 34 1 0.004153341 0.001228568 -0.001866944 35 1 -0.000859888 0.002826531 0.000897846 ------------------------------------------------------------------- Cartesian Forces: Max 0.020702749 RMS 0.003768662 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.012118916 RMS 0.002241536 Search for a local minimum. Step number 10 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 10 DE= -3.62D-03 DEPred=-3.59D-03 R= 1.01D+00 TightC=F SS= 1.41D+00 RLast= 9.60D-01 DXNew= 5.0454D+00 2.8802D+00 Trust test= 1.01D+00 RLast= 9.60D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00107 0.00246 0.00311 0.00415 0.00442 Eigenvalues --- 0.00511 0.01387 0.01457 0.01480 0.01730 Eigenvalues --- 0.01848 0.01869 0.01938 0.01965 0.02043 Eigenvalues --- 0.02340 0.02497 0.03050 0.03359 0.03497 Eigenvalues --- 0.03724 0.03970 0.04510 0.04702 0.04874 Eigenvalues --- 0.04958 0.05111 0.05264 0.05316 0.05627 Eigenvalues --- 0.05727 0.05852 0.06108 0.06853 0.08004 Eigenvalues --- 0.08051 0.08226 0.08423 0.08546 0.08568 Eigenvalues --- 0.08627 0.10333 0.11768 0.12327 0.14786 Eigenvalues --- 0.15892 0.15955 0.16008 0.16024 0.16080 Eigenvalues --- 0.16229 0.18223 0.18977 0.20023 0.20220 Eigenvalues --- 0.20888 0.22898 0.23857 0.24677 0.24992 Eigenvalues --- 0.25046 0.25192 0.26143 0.26934 0.27249 Eigenvalues --- 0.28227 0.28502 0.29236 0.29933 0.30882 Eigenvalues --- 0.31765 0.34427 0.34715 0.34763 0.34785 Eigenvalues --- 0.34793 0.34801 0.34803 0.34813 0.34823 Eigenvalues --- 0.34837 0.34855 0.34863 0.34880 0.34918 Eigenvalues --- 0.35003 0.36006 0.37633 0.39290 0.42908 Eigenvalues --- 0.44441 0.47554 0.48568 0.50698 0.52698 Eigenvalues --- 0.56545 0.67627 0.87723 0.96655 RFO step: Lambda=-5.80182281D-03 EMin= 1.06543712D-03 Quartic linear search produced a step of 0.34494. Iteration 1 RMS(Cart)= 0.15883656 RMS(Int)= 0.00721913 Iteration 2 RMS(Cart)= 0.01156762 RMS(Int)= 0.00030417 Iteration 3 RMS(Cart)= 0.00005914 RMS(Int)= 0.00030183 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00030183 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87537 -0.00055 0.00030 0.00067 0.00097 2.87634 R2 2.64634 -0.00173 0.00092 -0.00312 -0.00220 2.64414 R3 2.75492 0.00311 -0.00236 -0.00563 -0.00799 2.74693 R4 2.03462 0.00073 -0.00050 -0.00014 -0.00064 2.03398 R5 2.04718 -0.00010 0.00017 0.00073 0.00090 2.04808 R6 2.05170 0.00055 -0.00025 0.00010 -0.00015 2.05156 R7 2.04930 0.00016 0.00001 0.00096 0.00097 2.05026 R8 1.81116 -0.01212 0.00526 0.00399 0.00925 1.82041 R9 2.26014 0.00255 0.00001 0.00233 0.00233 2.26247 R10 2.62188 0.00093 -0.00162 -0.00362 -0.00523 2.61665 R11 2.79178 -0.00580 0.00131 -0.00331 -0.00198 2.78980 R12 2.57709 0.00218 0.00060 0.00480 0.00540 2.58249 R13 1.89175 -0.00292 0.00178 0.00404 0.00582 1.89757 R14 2.26480 0.00170 -0.00024 0.00103 0.00080 2.26560 R15 2.58596 0.00130 -0.00015 0.00161 0.00144 2.58740 R16 2.61402 -0.00057 0.00164 0.00243 0.00407 2.61809 R17 2.52401 0.00019 -0.00085 -0.00102 -0.00186 2.52215 R18 2.01179 0.00195 -0.00051 0.00463 0.00413 2.01592 R19 2.86857 -0.00246 -0.00907 -0.02259 -0.03166 2.83691 R20 2.94173 -0.01034 0.00467 -0.02007 -0.01540 2.92633 R21 2.95678 -0.01090 0.00889 -0.01590 -0.00697 2.94981 R22 2.06921 -0.00488 0.00127 -0.01189 -0.01062 2.05860 R23 2.93699 0.00002 0.00446 0.01524 0.01977 2.95677 R24 2.05663 -0.00078 0.00046 -0.00278 -0.00232 2.05431 R25 2.03693 0.00482 -0.00119 0.01061 0.00942 2.04635 R26 2.89263 0.00180 -0.00474 -0.00013 -0.00481 2.88782 R27 2.05021 0.00040 -0.00023 0.00015 -0.00008 2.05013 R28 2.05227 0.00003 0.00005 -0.00018 -0.00013 2.05213 R29 2.89736 0.00136 -0.00440 -0.00128 -0.00576 2.89159 R30 2.05119 0.00077 0.00035 0.00370 0.00405 2.05524 R31 2.05311 -0.00057 0.00045 0.00057 0.00102 2.05413 R32 2.92396 -0.00016 0.00360 0.01263 0.01614 2.94010 R33 2.04945 0.00092 -0.00030 0.00163 0.00133 2.05078 R34 2.05339 -0.00027 0.00013 -0.00091 -0.00078 2.05261 R35 2.05112 0.00186 -0.00221 -0.01314 -0.01535 2.03576 R36 2.03104 0.00253 0.00130 0.02025 0.02154 2.05258 A1 1.95522 -0.00105 0.00031 -0.00061 -0.00049 1.95473 A2 1.94600 0.00035 -0.00069 -0.00046 -0.00127 1.94474 A3 1.92794 -0.00026 0.00173 0.00630 0.00797 1.93591 A4 1.84926 0.00106 -0.00325 -0.02204 -0.02532 1.82394 A5 1.93381 -0.00004 0.00144 0.00991 0.01135 1.94516 A6 1.84737 0.00007 0.00030 0.00633 0.00667 1.85405 A7 1.92649 -0.00072 0.00036 -0.00179 -0.00143 1.92506 A8 1.92268 0.00055 -0.00030 -0.00022 -0.00052 1.92216 A9 1.93318 -0.00044 0.00110 0.00359 0.00469 1.93787 A10 1.88593 0.00010 -0.00010 -0.00002 -0.00011 1.88582 A11 1.90366 0.00053 -0.00081 -0.00071 -0.00152 1.90214 A12 1.89086 0.00001 -0.00030 -0.00094 -0.00124 1.88962 A13 1.90894 -0.00016 -0.00065 -0.00646 -0.00710 1.90184 A14 2.05769 0.00780 0.00110 0.02053 0.02142 2.07910 A15 2.22205 -0.00517 -0.00301 -0.02025 -0.02344 2.19861 A16 2.00334 -0.00261 0.00188 -0.00060 0.00117 2.00451 A17 2.24568 -0.00018 -0.00151 -0.00208 -0.00358 2.24210 A18 2.02224 -0.00064 0.00167 0.00078 0.00238 2.02462 A19 2.01145 0.00084 -0.00070 0.00108 0.00033 2.01178 A20 2.13797 0.00005 -0.00147 -0.00721 -0.00878 2.12919 A21 1.98410 0.00109 -0.00032 -0.00019 -0.00059 1.98350 A22 2.16025 -0.00105 0.00155 0.00691 0.00835 2.16860 A23 2.05945 -0.00016 0.00182 0.01069 0.01248 2.07193 A24 2.10231 0.00172 -0.00335 -0.01370 -0.01709 2.08522 A25 2.12114 -0.00156 0.00165 0.00317 0.00480 2.12594 A26 2.18929 -0.00210 -0.00161 -0.00849 -0.01016 2.17914 A27 1.96021 0.00248 -0.00117 0.00483 0.00358 1.96378 A28 2.13355 -0.00038 0.00275 0.00336 0.00602 2.13957 A29 2.01929 0.00544 -0.00053 0.00781 0.00731 2.02660 A30 2.11820 -0.00992 -0.00908 -0.04467 -0.05379 2.06441 A31 2.14339 0.00451 0.00960 0.03745 0.04703 2.19041 A32 2.01632 -0.00094 0.01356 0.01123 0.02555 2.04187 A33 2.03290 -0.00482 -0.00050 -0.06212 -0.06306 1.96985 A34 1.86326 0.00051 -0.00229 -0.01298 -0.01526 1.84800 A35 1.84098 0.00241 0.00296 0.02002 0.02261 1.86359 A36 1.85728 0.00081 -0.00859 0.01771 0.00836 1.86564 A37 1.83828 0.00279 -0.00759 0.03500 0.02672 1.86500 A38 1.95517 -0.00052 -0.00377 0.00360 -0.00180 1.95336 A39 1.87290 -0.00001 0.00529 0.02945 0.03532 1.90822 A40 1.98240 -0.00214 -0.00065 -0.04424 -0.04430 1.93810 A41 1.90430 -0.00001 -0.00256 -0.00202 -0.00423 1.90007 A42 1.89935 0.00211 0.00299 0.01317 0.01611 1.91546 A43 1.84511 0.00063 -0.00129 0.00116 0.00002 1.84513 A44 1.97941 0.00012 -0.00581 0.02108 0.01381 1.99321 A45 1.91841 -0.00097 0.00379 -0.00745 -0.00302 1.91538 A46 1.90723 0.00048 0.00183 0.00205 0.00389 1.91112 A47 1.93074 -0.00018 -0.00020 -0.01977 -0.01952 1.91122 A48 1.87182 0.00059 -0.00028 0.00888 0.00892 1.88073 A49 1.85111 0.00001 0.00109 -0.00586 -0.00496 1.84615 A50 1.99436 -0.00217 -0.00702 0.00044 -0.00779 1.98657 A51 1.90748 0.00108 0.00091 -0.00296 -0.00165 1.90583 A52 1.89356 0.00041 0.00250 0.00822 0.01076 1.90431 A53 1.91458 0.00117 -0.00041 -0.01269 -0.01302 1.90156 A54 1.90364 0.00010 0.00444 0.01571 0.02065 1.92429 A55 1.84411 -0.00048 0.00022 -0.00918 -0.00903 1.83508 A56 1.97606 -0.00143 -0.00796 0.00418 -0.00491 1.97114 A57 1.92634 0.00057 -0.00208 -0.01940 -0.02163 1.90471 A58 1.88500 0.00034 0.00239 0.00928 0.01183 1.89684 A59 1.90628 -0.00008 0.00048 -0.01288 -0.01279 1.89349 A60 1.91079 0.00101 0.00632 0.02446 0.03116 1.94196 A61 1.85537 -0.00034 0.00170 -0.00550 -0.00374 1.85163 A62 1.93089 0.00135 -0.00116 0.02117 0.01978 1.95067 A63 1.88486 -0.00249 0.00417 0.02183 0.02606 1.91092 A64 1.94627 0.00038 -0.00545 -0.04084 -0.04624 1.90003 A65 1.88261 0.00238 -0.00841 -0.00018 -0.00942 1.87319 A66 1.94094 -0.00154 0.00787 0.00511 0.01359 1.95453 A67 1.87537 -0.00010 0.00281 -0.00603 -0.00293 1.87244 D1 -3.12416 -0.00059 0.00207 0.01572 0.01781 -3.10635 D2 1.07772 -0.00061 0.00215 0.01700 0.01917 1.09689 D3 -1.01396 -0.00070 0.00201 0.01601 0.01804 -0.99591 D4 -1.05495 0.00029 -0.00233 -0.01297 -0.01531 -1.07026 D5 -3.13626 0.00027 -0.00225 -0.01169 -0.01395 3.13298 D6 1.05525 0.00018 -0.00238 -0.01268 -0.01508 1.04018 D7 0.99408 0.00042 -0.00128 -0.00138 -0.00266 0.99142 D8 -1.08723 0.00040 -0.00120 -0.00009 -0.00130 -1.08852 D9 3.10429 0.00031 -0.00134 -0.00109 -0.00243 3.10186 D10 -1.09130 0.00058 -0.00190 -0.00962 -0.01148 -1.10278 D11 3.06624 0.00008 0.00090 0.00570 0.00651 3.07275 D12 1.07036 -0.00055 0.00162 0.00549 0.00717 1.07753 D13 1.64467 0.00011 0.00857 0.00685 0.01535 1.66002 D14 -1.47154 0.00038 0.00444 -0.00003 0.00436 -1.46718 D15 -2.50697 -0.00029 0.00642 -0.00838 -0.00190 -2.50887 D16 0.66001 -0.00002 0.00229 -0.01526 -0.01289 0.64711 D17 -0.45248 0.00019 0.00668 -0.00445 0.00221 -0.45027 D18 2.71450 0.00046 0.00254 -0.01133 -0.00879 2.70571 D19 3.05972 -0.00076 -0.00070 0.01779 0.01746 3.07718 D20 0.01725 -0.00107 0.00715 0.02062 0.02809 0.04534 D21 -0.09629 0.00070 -0.00766 -0.00458 -0.01234 -0.10863 D22 -3.13876 0.00040 0.00018 -0.00174 -0.00170 -3.14046 D23 -3.07786 0.00068 -0.00236 -0.01972 -0.02161 -3.09947 D24 -0.00736 0.00136 -0.00206 -0.00885 -0.01073 -0.01809 D25 0.07975 -0.00108 0.00540 0.00471 0.01010 0.08984 D26 -3.13293 -0.00040 0.00570 0.01558 0.02098 -3.11196 D27 -3.04412 -0.00156 0.01101 0.01186 0.02274 -3.02138 D28 0.05436 0.00062 0.00234 -0.00000 0.00247 0.05683 D29 -0.00114 -0.00133 0.00329 0.00902 0.01227 0.01113 D30 3.09734 0.00085 -0.00538 -0.00283 -0.00799 3.08935 D31 -3.11371 -0.00102 0.00106 -0.00177 -0.00085 -3.11456 D32 0.00221 -0.00123 0.00513 0.00493 0.01008 0.01229 D33 -0.01586 0.00123 -0.00778 -0.01421 -0.02214 -0.03799 D34 3.10006 0.00101 -0.00371 -0.00750 -0.01121 3.08886 D35 3.10885 0.00035 -0.00293 0.00203 -0.00108 3.10777 D36 -0.05025 0.00003 -0.00536 -0.01751 -0.02295 -0.07320 D37 -0.00644 0.00061 -0.00721 -0.00520 -0.01252 -0.01896 D38 3.11764 0.00028 -0.00964 -0.02473 -0.03439 3.08325 D39 -0.03681 0.00052 0.00145 -0.00005 0.00152 -0.03529 D40 -3.10618 0.00048 0.00198 -0.00739 -0.00557 -3.11174 D41 3.12394 0.00085 0.00414 0.02132 0.02555 -3.13370 D42 0.05457 0.00081 0.00467 0.01398 0.01846 0.07303 D43 3.01847 0.00083 0.09312 0.06438 0.15764 -3.10707 D44 0.84324 0.00268 0.07721 0.08227 0.16008 1.00331 D45 -1.20368 0.00166 0.08887 0.08425 0.17260 -1.03108 D46 -0.19935 0.00154 0.09297 0.07448 0.16745 -0.03189 D47 -2.37458 0.00339 0.07706 0.09238 0.16988 -2.20470 D48 1.86168 0.00236 0.08872 0.09436 0.18241 2.04409 D49 3.01568 0.00327 0.00700 0.09918 0.10588 3.12156 D50 -1.17782 0.00295 0.00507 0.11778 0.12281 -1.05501 D51 0.85487 0.00252 0.00651 0.11312 0.11942 0.97429 D52 -0.99579 -0.00188 0.01852 0.04129 0.05970 -0.93608 D53 1.09390 -0.00220 0.01659 0.05989 0.07663 1.17054 D54 3.12659 -0.00263 0.01803 0.05524 0.07324 -3.08335 D55 0.95132 0.00262 0.00766 0.09643 0.10373 1.05506 D56 3.04102 0.00230 0.00573 0.11502 0.12066 -3.12151 D57 -1.20948 0.00186 0.00717 0.11037 0.11727 -1.09221 D58 -2.85361 -0.00063 0.01759 -0.04468 -0.02731 -2.88092 D59 1.37292 -0.00279 0.02591 -0.06948 -0.04376 1.32917 D60 -0.68372 -0.00135 0.02300 -0.05211 -0.02910 -0.71281 D61 1.16753 0.00226 -0.00268 -0.02952 -0.03259 1.13494 D62 -0.88912 0.00010 0.00564 -0.05432 -0.04903 -0.93816 D63 -2.94576 0.00154 0.00273 -0.03695 -0.03437 -2.98013 D64 -0.79299 -0.00078 0.00887 -0.07191 -0.06364 -0.85664 D65 -2.84964 -0.00294 0.01719 -0.09671 -0.08009 -2.92974 D66 1.37690 -0.00150 0.01428 -0.07934 -0.06543 1.31147 D67 0.03282 0.00017 -0.04030 -0.01274 -0.05284 -0.02001 D68 2.20420 -0.00072 -0.04188 -0.02899 -0.07075 2.13344 D69 -2.05432 -0.00099 -0.03744 -0.03909 -0.07621 -2.13053 D70 -2.03839 0.00050 -0.04286 -0.05023 -0.09297 -2.13136 D71 0.13299 -0.00039 -0.04444 -0.06647 -0.11089 0.02210 D72 2.15766 -0.00066 -0.04000 -0.07657 -0.11635 2.04131 D73 2.23946 -0.00139 -0.04159 -0.05763 -0.09944 2.14002 D74 -1.87235 -0.00228 -0.04317 -0.07388 -0.11736 -1.98971 D75 0.15232 -0.00255 -0.03874 -0.08398 -0.12282 0.02950 D76 0.83112 -0.00183 0.05527 -0.02720 0.02825 0.85937 D77 2.98371 -0.00102 0.05032 -0.04580 0.00462 2.98832 D78 -1.29676 -0.00080 0.05239 -0.05380 -0.00117 -1.29793 D79 -1.33356 -0.00050 0.05476 -0.01774 0.03722 -1.29634 D80 0.81903 0.00032 0.04982 -0.03633 0.01358 0.83262 D81 2.82175 0.00054 0.05189 -0.04434 0.00780 2.82955 D82 2.93837 -0.00075 0.05373 -0.00548 0.04829 2.98666 D83 -1.19223 0.00007 0.04879 -0.02407 0.02466 -1.16757 D84 0.81049 0.00029 0.05086 -0.03208 0.01888 0.82937 D85 -0.66206 0.00124 -0.03997 0.03537 -0.00404 -0.66611 D86 1.48088 0.00054 -0.04684 0.00705 -0.03950 1.44138 D87 -2.78085 0.00064 -0.04457 -0.00473 -0.04903 -2.82988 D88 -2.81082 0.00048 -0.03567 0.04874 0.01340 -2.79742 D89 -0.66787 -0.00022 -0.04255 0.02042 -0.02206 -0.68994 D90 1.35358 -0.00012 -0.04027 0.00864 -0.03159 1.32199 D91 1.46027 0.00036 -0.03818 0.05795 0.02003 1.48031 D92 -2.67997 -0.00034 -0.04505 0.02962 -0.01542 -2.69539 D93 -0.65851 -0.00024 -0.04278 0.01784 -0.02495 -0.68346 D94 -0.33910 0.00074 0.01575 0.00060 0.01618 -0.32292 D95 1.71893 -0.00009 0.01505 0.03881 0.05351 1.77244 D96 -2.51204 0.00037 0.01795 0.03429 0.05186 -2.46018 D97 -2.49312 0.00107 0.02384 0.03236 0.05633 -2.43678 D98 -0.43509 0.00024 0.02314 0.07057 0.09367 -0.34142 D99 1.61713 0.00069 0.02603 0.06605 0.09202 1.70914 D100 1.76511 0.00095 0.01808 0.03250 0.05073 1.81584 D101 -2.46004 0.00012 0.01737 0.07071 0.08807 -2.37198 D102 -0.40783 0.00058 0.02027 0.06619 0.08641 -0.32141 Item Value Threshold Converged? Maximum Force 0.012119 0.000450 NO RMS Force 0.002242 0.000300 NO Maximum Displacement 0.760111 0.001800 NO RMS Displacement 0.158942 0.001200 NO Predicted change in Energy=-4.503679D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.894563 -4.972899 1.765621 2 6 0 7.209106 -5.298561 3.218817 3 8 0 6.531509 -6.112726 1.039813 4 8 0 2.609901 -1.646970 1.567291 5 6 0 3.498037 -2.449782 1.577857 6 7 0 4.807370 -2.007445 1.492445 7 6 0 5.958412 -2.741355 1.556176 8 8 0 7.039917 -2.225042 1.589858 9 7 0 5.744920 -4.090104 1.656134 10 6 0 4.468310 -4.628083 1.672713 11 6 0 3.340173 -3.917103 1.616602 12 1 0 7.716298 -4.455698 1.301125 13 1 0 7.451947 -4.393250 3.762928 14 1 0 8.064321 -5.964873 3.275749 15 1 0 4.934823 -1.011765 1.465987 16 1 0 4.474710 -5.694554 1.697528 17 6 0 1.950230 -4.481809 1.669940 18 1 0 6.366822 -5.784422 3.700087 19 1 0 7.278103 -6.721096 1.018159 20 6 0 1.820436 -6.022436 1.757241 21 6 0 0.325979 -6.479195 1.835396 22 6 0 -0.681109 -5.329817 1.837847 23 6 0 -0.446263 -4.299970 0.730747 24 6 0 1.062386 -4.022083 0.471184 25 1 0 1.497325 -4.074291 2.573000 26 1 0 2.280212 -6.472560 0.881015 27 1 0 2.366781 -6.411141 2.607563 28 1 0 0.105127 -7.152558 1.013950 29 1 0 0.170630 -7.057609 2.741251 30 1 0 -1.685604 -5.734290 1.736697 31 1 0 -0.666504 -4.845974 2.811114 32 1 0 -0.893387 -4.659712 -0.190330 33 1 0 -0.976678 -3.387224 0.986437 34 1 0 1.341818 -4.569382 -0.413639 35 1 0 1.254381 -2.971218 0.274695 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522094 0.000000 3 O 1.399218 2.422820 0.000000 4 O 5.427657 6.100355 5.966592 0.000000 5 C 4.235299 4.957854 4.786292 1.197249 0.000000 6 N 3.636608 4.424945 4.475585 2.228096 1.384669 7 C 2.428999 3.296652 3.458499 3.522829 2.477685 8 O 2.757306 3.482621 3.959181 4.467629 3.549022 9 N 1.453614 2.458899 2.256008 3.975568 2.783031 10 C 2.452393 3.217443 2.619449 3.514518 2.386508 11 C 3.710876 4.409553 3.916385 2.385212 1.476297 12 H 1.076337 2.155273 2.053716 5.833959 4.679102 13 H 2.153116 1.083797 3.349501 5.984002 4.917825 14 H 2.152402 1.085636 2.714918 7.163366 6.007466 15 H 4.429554 5.159593 5.361981 2.412262 2.035869 16 H 2.526086 3.154053 2.199518 4.458409 3.390687 17 C 4.969583 5.542732 4.903577 2.912391 2.556036 18 H 2.163155 1.084953 2.685509 5.981787 4.884015 19 H 1.939587 2.621309 0.963320 6.916676 5.731167 20 C 5.181541 5.630095 4.766242 4.450174 3.950998 21 C 6.739443 7.119353 6.267045 5.351503 5.134632 22 C 7.584419 8.010215 7.298744 4.946444 5.082072 23 C 7.443892 8.111249 7.216018 4.132597 4.438276 24 C 6.049290 6.852813 5.882639 3.039312 3.103103 25 H 5.530781 5.877105 5.643482 2.853273 2.762642 26 H 4.931911 5.580107 4.269453 4.885283 4.260449 27 H 4.824750 5.005954 4.460028 4.882479 4.246457 28 H 7.170241 7.665850 6.510016 6.073844 5.826313 29 H 7.106979 7.270658 6.651953 6.050062 5.801482 30 H 8.613931 9.027868 8.255289 5.931800 6.138677 31 H 7.634061 7.899132 7.520210 4.745056 4.960450 32 H 8.035919 8.813672 7.665089 4.943570 5.224451 33 H 8.067089 8.697344 7.987746 4.028577 4.609951 34 H 5.978711 6.939129 5.606008 3.751349 3.620503 35 H 6.167758 7.038688 6.188906 2.293878 2.646530 6 7 8 9 10 6 N 0.000000 7 C 1.366595 0.000000 8 O 2.245240 1.198902 0.000000 9 N 2.289817 1.369195 2.271534 0.000000 10 C 2.648623 2.407016 3.520601 1.385434 0.000000 11 C 2.411405 2.870750 4.068401 2.411286 1.334666 12 H 3.806890 2.468641 2.348762 2.036178 3.273716 13 H 4.223854 3.135149 3.097278 2.728447 3.650511 14 H 5.426706 4.216972 4.228235 3.393749 4.157887 15 H 1.004153 2.011803 2.432860 3.188822 3.652140 16 H 3.707762 3.307981 4.316178 2.046804 1.066779 17 C 3.783812 4.371229 5.568152 3.814878 2.522327 18 H 4.644473 3.744784 4.192291 2.726760 3.008606 19 H 5.343031 4.227220 4.538511 3.111235 3.564278 20 C 5.011192 5.284767 6.456872 4.375581 2.993761 21 C 6.340113 6.765627 7.952048 5.924932 4.540043 22 C 6.425018 7.131809 8.325585 6.547042 5.199636 23 C 5.782432 6.643077 7.815772 6.263476 5.014777 24 C 4.373402 5.175765 6.341266 4.830617 3.662135 25 H 4.049179 4.765705 5.925084 4.345452 3.153404 26 H 5.166975 5.282697 6.418618 4.275641 2.969285 27 H 5.156792 5.241427 6.355891 4.207642 2.910269 28 H 6.986575 7.349399 8.526628 6.449673 5.083730 29 H 6.968718 7.316616 8.477412 6.407517 5.051181 30 H 7.490510 8.211042 9.405907 7.610684 6.252875 31 H 6.305508 7.063554 8.231018 6.558328 5.264005 32 H 6.508831 7.326495 8.487285 6.913827 5.676243 33 H 5.967834 6.988363 8.122843 6.791348 5.626598 34 H 4.712402 5.341797 6.479064 4.888863 3.759158 35 H 3.877565 4.880875 5.979871 4.829619 3.876725 11 12 13 14 15 11 C 0.000000 12 H 4.420416 0.000000 13 H 4.662629 2.476743 0.000000 14 H 5.409593 2.509555 1.755661 0.000000 15 H 3.317617 4.429951 4.800656 6.132070 0.000000 16 H 2.110226 3.492820 3.850092 3.930542 4.711033 17 C 1.501226 5.777910 5.887047 6.493089 4.581550 18 H 4.121697 3.056405 1.765447 1.759013 5.460776 19 H 4.871119 2.324675 3.603172 2.507334 6.187728 20 C 2.600348 6.117508 6.196043 6.426140 5.906866 21 C 3.962014 7.680938 7.671113 7.888034 7.160356 22 C 4.267953 8.459822 8.410095 8.885573 7.093838 23 C 3.907484 8.183947 8.460765 9.037642 6.348933 24 C 2.551729 6.719477 7.197210 7.788910 5.004739 25 H 2.082185 6.359148 6.080722 6.869759 4.735075 26 H 2.862685 5.813369 6.275014 6.280797 6.099954 27 H 2.854772 5.843618 5.591571 5.753919 6.086978 28 H 4.614854 8.079941 8.315432 8.359132 7.825576 29 H 4.601480 8.110549 7.820499 7.986872 7.802312 30 H 5.345561 9.498435 9.455095 9.873342 8.136681 31 H 4.282887 8.526649 8.186583 8.814483 6.919927 32 H 4.662564 8.740294 9.238174 9.693177 7.072407 33 H 4.394665 8.764046 8.930997 9.675995 6.388945 34 H 2.922460 6.602071 7.403271 7.794295 5.394379 35 H 2.654420 6.709218 7.252570 8.021445 4.336391 16 17 18 19 20 16 H 0.000000 17 C 2.800805 0.000000 18 H 2.756521 5.032353 0.000000 19 H 3.061755 5.815965 2.983375 0.000000 20 C 2.675116 1.548548 4.949841 5.551621 0.000000 21 C 4.224529 2.579752 6.360155 7.004172 1.564653 22 C 5.170609 2.769703 7.303967 8.121367 2.596911 23 C 5.205335 2.580374 7.578833 8.100018 3.026302 24 C 3.993124 1.560972 6.455130 6.798455 2.495996 25 H 3.500932 1.089363 5.282696 6.545266 2.136617 26 H 2.467349 2.166651 5.012094 5.005946 1.087095 27 H 2.405208 2.185171 4.193652 5.171398 1.082881 28 H 4.656856 3.311741 6.949529 7.185941 2.184477 29 H 4.633830 3.308992 6.397904 7.321097 2.182136 30 H 6.160566 3.846095 8.288484 9.046442 3.517920 31 H 5.328437 2.877879 7.151128 8.357484 2.946113 32 H 5.783717 3.402707 8.313300 8.513695 3.607615 33 H 5.962135 3.198763 8.187640 8.902646 3.919481 34 H 3.941834 2.172358 6.606794 6.474519 2.655779 35 H 4.451015 2.170899 6.766423 7.134392 3.439229 21 22 23 24 25 21 C 0.000000 22 C 1.528170 0.000000 23 C 2.562348 1.530166 0.000000 24 C 2.905300 2.572491 1.555833 0.000000 25 H 2.774829 2.619612 2.687445 2.146981 0.000000 26 H 2.174836 3.315239 3.489469 2.766930 3.037666 27 H 2.183060 3.324359 3.986565 3.460226 2.493595 28 H 1.084881 2.149269 2.919160 3.318255 3.720830 29 H 1.085942 2.127643 3.468034 3.893951 3.269345 30 H 2.147344 1.087584 2.145967 3.476294 3.685923 31 H 2.145800 1.086999 2.162072 3.023761 2.309620 32 H 2.983444 2.146533 1.085227 2.160838 3.700570 33 H 3.460915 2.141477 1.086196 2.196887 3.018267 34 H 3.120492 3.120847 2.139962 1.077280 3.031388 35 H 3.950142 3.428199 2.205846 1.086179 2.560859 26 27 28 29 30 26 H 0.000000 27 H 1.729807 0.000000 28 H 2.282775 2.864329 0.000000 29 H 2.872820 2.293224 1.731149 0.000000 30 H 4.123703 4.199804 2.395948 2.491165 0.000000 31 H 3.879973 3.419357 3.024160 2.365798 1.726859 32 H 3.808665 4.639441 2.943060 3.933982 2.344303 33 H 4.487509 4.790704 3.917754 4.226986 2.564017 34 H 2.485719 3.683787 3.200033 4.185247 3.891817 35 H 3.698560 4.302648 4.398964 4.894590 4.291331 31 32 33 34 35 31 H 0.000000 32 H 3.015765 0.000000 33 H 2.356609 1.735207 0.000000 34 H 3.809054 2.248148 2.955188 0.000000 35 H 3.692957 2.771311 2.378500 1.742291 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.114460 -1.166838 -0.246372 2 6 0 3.495220 -1.723843 1.118010 3 8 0 2.538495 -2.141753 -1.068331 4 8 0 -0.663837 2.678338 0.384946 5 6 0 0.101007 1.774020 0.209939 6 7 0 1.448375 2.051807 0.052632 7 6 0 2.486583 1.174187 -0.086974 8 8 0 3.628976 1.537826 -0.095364 9 7 0 2.094845 -0.136938 -0.133737 10 6 0 0.760876 -0.503580 -0.059384 11 6 0 -0.257333 0.347537 0.082690 12 1 0 3.960850 -0.701523 -0.721352 13 1 0 3.905179 -0.939283 1.743323 14 1 0 4.250405 -2.496100 1.008826 15 1 0 1.711585 3.017184 0.136835 16 1 0 0.619714 -1.555491 -0.166969 17 6 0 -1.703964 -0.035765 0.201086 18 1 0 2.634281 -2.157997 1.615420 19 1 0 3.188329 -2.832488 -1.237406 20 6 0 -2.041000 -1.544444 0.110020 21 6 0 -3.573669 -1.811616 0.276407 22 6 0 -4.406300 -0.553291 0.518574 23 6 0 -4.118557 0.578063 -0.470693 24 6 0 -2.611427 0.692228 -0.839668 25 1 0 -2.021760 0.300630 1.187268 26 1 0 -1.720253 -1.927210 -0.855583 27 1 0 -1.488419 -2.111613 0.848671 28 1 0 -3.951553 -2.333606 -0.596345 29 1 0 -3.735751 -2.482462 1.114838 30 1 0 -5.462402 -0.807828 0.466623 31 1 0 -4.246406 -0.211518 1.537981 32 1 0 -4.683752 0.406754 -1.381146 33 1 0 -4.493708 1.508365 -0.054014 34 1 0 -2.482968 0.238343 -1.808182 35 1 0 -2.290356 1.726528 -0.922867 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8281281 0.2809696 0.2237713 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1275.6960595688 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.74D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999984 0.005079 0.002137 -0.001575 Ang= 0.66 deg. 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) = -798.423656635 A.U. after 13 cycles NFock= 13 Conv=0.76D-08 -V/T= 2.0014 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 -0.005628411 -0.001596166 0.000974605 2 6 0.002101514 -0.000046140 -0.000347039 3 8 0.021996188 -0.013420780 -0.000473415 4 8 0.000039629 0.000519919 0.005172685 5 6 -0.002294188 -0.001354906 -0.008047088 6 7 0.001144904 0.005556275 0.000340406 7 6 -0.003399743 0.000872665 0.011168972 8 8 0.001928804 -0.002951422 -0.004389884 9 7 -0.003107274 0.004149505 -0.002697192 10 6 -0.002272943 0.000711598 -0.003245828 11 6 0.013155087 0.003064427 0.001933539 12 1 0.001968629 -0.000610277 -0.000272820 13 1 0.000055779 -0.000054992 -0.000608936 14 1 0.000620831 -0.000384667 0.000426822 15 1 -0.000962500 -0.005711928 -0.000134223 16 1 -0.002726945 -0.000628047 0.001184618 17 6 -0.023130837 -0.005876070 -0.005492381 18 1 -0.000223778 0.000195207 -0.001141798 19 1 -0.013627398 0.009808427 -0.000170423 20 6 0.000079759 0.004083451 -0.001248194 21 6 0.005479506 -0.000278826 0.002422737 22 6 -0.004842515 -0.000095010 0.002446394 23 6 0.005444387 0.003088862 -0.001151730 24 6 -0.001088227 0.005522936 0.010333612 25 1 0.000988642 0.001582203 -0.001678044 26 1 0.000518530 0.001740243 -0.000572086 27 1 0.000320603 0.000574679 0.003605226 28 1 0.001016149 0.000726709 -0.001897986 29 1 0.001216192 -0.001241922 -0.000702751 30 1 0.000619985 -0.000673297 0.000818477 31 1 0.001747891 0.001267254 -0.000966835 32 1 -0.000385093 0.000068703 -0.000810411 33 1 0.002063513 0.000667225 -0.000264137 34 1 0.007794012 -0.003817167 -0.004060834 35 1 -0.006610683 -0.005458676 -0.000454059 ------------------------------------------------------------------- Cartesian Forces: Max 0.023130837 RMS 0.005018562 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.016752059 RMS 0.002934788 Search for a local minimum. Step number 11 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 10 11 DE= -2.72D-03 DEPred=-4.50D-03 R= 6.04D-01 TightC=F SS= 1.41D+00 RLast= 6.84D-01 DXNew= 5.0454D+00 2.0524D+00 Trust test= 6.04D-01 RLast= 6.84D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00079 0.00247 0.00415 0.00442 0.00510 Eigenvalues --- 0.00685 0.01429 0.01457 0.01495 0.01724 Eigenvalues --- 0.01863 0.01893 0.01940 0.01986 0.02045 Eigenvalues --- 0.02326 0.02543 0.03069 0.03303 0.03421 Eigenvalues --- 0.03571 0.03826 0.04569 0.04670 0.04880 Eigenvalues --- 0.05001 0.05030 0.05211 0.05296 0.05604 Eigenvalues --- 0.05730 0.05962 0.06332 0.06837 0.08164 Eigenvalues --- 0.08258 0.08335 0.08491 0.08521 0.08598 Eigenvalues --- 0.08828 0.10317 0.12316 0.12521 0.15411 Eigenvalues --- 0.15932 0.15963 0.16009 0.16033 0.16085 Eigenvalues --- 0.16332 0.18275 0.18980 0.19892 0.20655 Eigenvalues --- 0.20830 0.22881 0.23861 0.24933 0.25023 Eigenvalues --- 0.25151 0.26065 0.26393 0.27126 0.27701 Eigenvalues --- 0.28392 0.28505 0.29272 0.29933 0.30720 Eigenvalues --- 0.32861 0.34557 0.34687 0.34770 0.34791 Eigenvalues --- 0.34793 0.34802 0.34813 0.34820 0.34837 Eigenvalues --- 0.34850 0.34861 0.34878 0.34917 0.34945 Eigenvalues --- 0.35002 0.36191 0.37757 0.41641 0.42317 Eigenvalues --- 0.44795 0.45453 0.47765 0.49757 0.51202 Eigenvalues --- 0.56628 0.61148 0.87520 0.96579 RFO step: Lambda=-6.57346477D-03 EMin= 7.88040611D-04 Quartic linear search produced a step of -0.13873. Iteration 1 RMS(Cart)= 0.11755852 RMS(Int)= 0.00398092 Iteration 2 RMS(Cart)= 0.00611789 RMS(Int)= 0.00014886 Iteration 3 RMS(Cart)= 0.00001440 RMS(Int)= 0.00014861 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00014861 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87634 -0.00101 -0.00013 -0.00074 -0.00088 2.87546 R2 2.64414 0.00111 0.00031 -0.00097 -0.00066 2.64348 R3 2.74693 0.00933 0.00111 0.00711 0.00821 2.75515 R4 2.03398 0.00133 0.00009 0.00096 0.00105 2.03503 R5 2.04808 -0.00034 -0.00012 -0.00001 -0.00013 2.04795 R6 2.05156 0.00075 0.00002 0.00075 0.00077 2.05232 R7 2.05026 -0.00042 -0.00013 -0.00008 -0.00022 2.05005 R8 1.82041 -0.01675 -0.00128 -0.01889 -0.02017 1.80024 R9 2.26247 0.00027 -0.00032 0.00015 -0.00017 2.26230 R10 2.61665 0.00028 0.00073 -0.00140 -0.00065 2.61599 R11 2.78980 -0.00210 0.00027 -0.00457 -0.00427 2.78553 R12 2.58249 0.00127 -0.00075 0.00278 0.00204 2.58453 R13 1.89757 -0.00578 -0.00081 -0.00680 -0.00761 1.88996 R14 2.26560 0.00035 -0.00011 0.00001 -0.00010 2.26549 R15 2.58740 -0.00170 -0.00020 0.00010 -0.00012 2.58729 R16 2.61809 0.00063 -0.00056 0.00083 0.00024 2.61833 R17 2.52215 -0.00108 0.00026 -0.00122 -0.00097 2.52118 R18 2.01592 0.00064 -0.00057 0.00192 0.00135 2.01727 R19 2.83691 0.00742 0.00439 0.00553 0.00992 2.84683 R20 2.92633 -0.00903 0.00214 -0.02227 -0.01995 2.90638 R21 2.94981 -0.00800 0.00097 -0.02174 -0.02066 2.92915 R22 2.05860 -0.00121 0.00147 -0.00634 -0.00487 2.05373 R23 2.95677 -0.00607 -0.00274 -0.00857 -0.01131 2.94546 R24 2.05431 -0.00004 0.00032 -0.00102 -0.00070 2.05361 R25 2.04635 0.00279 -0.00131 0.00711 0.00580 2.05215 R26 2.88782 0.00364 0.00067 0.00218 0.00267 2.89050 R27 2.05013 0.00078 0.00001 0.00159 0.00161 2.05173 R28 2.05213 -0.00010 0.00002 -0.00016 -0.00015 2.05199 R29 2.89159 0.00245 0.00080 0.00260 0.00326 2.89485 R30 2.05524 -0.00040 -0.00056 0.00118 0.00062 2.05586 R31 2.05413 -0.00028 -0.00014 0.00061 0.00047 2.05460 R32 2.94010 -0.00689 -0.00224 -0.00756 -0.00978 2.93031 R33 2.05078 0.00082 -0.00018 0.00239 0.00220 2.05298 R34 2.05261 -0.00051 0.00011 -0.00127 -0.00116 2.05146 R35 2.03576 0.00730 0.00213 0.00859 0.01072 2.04648 R36 2.05258 -0.00637 -0.00299 -0.00219 -0.00518 2.04740 A1 1.95473 -0.00285 0.00007 -0.00193 -0.00197 1.95276 A2 1.94474 -0.00183 0.00018 0.00299 0.00313 1.94787 A3 1.93591 0.00042 -0.00111 -0.00714 -0.00828 1.92763 A4 1.82394 0.00761 0.00351 0.01603 0.01953 1.84346 A5 1.94516 -0.00194 -0.00157 -0.00717 -0.00879 1.93637 A6 1.85405 -0.00099 -0.00093 -0.00140 -0.00230 1.85175 A7 1.92506 -0.00051 0.00020 -0.00249 -0.00229 1.92277 A8 1.92216 0.00094 0.00007 0.00253 0.00261 1.92476 A9 1.93787 -0.00159 -0.00065 -0.00134 -0.00200 1.93588 A10 1.88582 -0.00007 0.00002 0.00017 0.00019 1.88601 A11 1.90214 0.00092 0.00021 0.00082 0.00103 1.90317 A12 1.88962 0.00036 0.00017 0.00039 0.00056 1.89018 A13 1.90184 0.00208 0.00099 0.00299 0.00397 1.90581 A14 2.07910 0.00134 -0.00297 0.01261 0.00948 2.08858 A15 2.19861 0.00166 0.00325 -0.00817 -0.00509 2.19353 A16 2.00451 -0.00285 -0.00016 -0.00329 -0.00352 2.00099 A17 2.24210 -0.00039 0.00050 -0.00233 -0.00179 2.24031 A18 2.02462 0.00007 -0.00033 0.00073 0.00038 2.02500 A19 2.01178 0.00033 -0.00005 0.00104 0.00096 2.01274 A20 2.12919 0.00224 0.00122 -0.00014 0.00107 2.13027 A21 1.98350 0.00292 0.00008 0.00451 0.00459 1.98809 A22 2.16860 -0.00496 -0.00116 -0.00398 -0.00515 2.16346 A23 2.07193 -0.00615 -0.00173 -0.00317 -0.00491 2.06702 A24 2.08522 0.00917 0.00237 0.00599 0.00834 2.09357 A25 2.12594 -0.00303 -0.00067 -0.00297 -0.00369 2.12225 A26 2.17914 -0.00019 0.00141 -0.00405 -0.00265 2.17649 A27 1.96378 0.00286 -0.00050 0.00865 0.00816 1.97195 A28 2.13957 -0.00265 -0.00084 -0.00455 -0.00537 2.13420 A29 2.02660 0.00366 -0.00101 0.00785 0.00682 2.03342 A30 2.06441 0.00497 0.00746 -0.01919 -0.01179 2.05262 A31 2.19041 -0.00863 -0.00652 0.01038 0.00378 2.19419 A32 2.04187 -0.00914 -0.00354 -0.02303 -0.02703 2.01484 A33 1.96985 0.00337 0.00875 -0.02134 -0.01325 1.95660 A34 1.84800 0.00212 0.00212 0.00893 0.01134 1.85934 A35 1.86359 0.00317 -0.00314 -0.00782 -0.01168 1.85191 A36 1.86564 0.00122 -0.00116 0.02178 0.02084 1.88648 A37 1.86500 -0.00026 -0.00371 0.02954 0.02598 1.89098 A38 1.95336 -0.00034 0.00025 -0.01196 -0.01191 1.94145 A39 1.90822 -0.00187 -0.00490 0.00011 -0.00472 1.90350 A40 1.93810 0.00042 0.00615 -0.00328 0.00288 1.94098 A41 1.90007 0.00227 0.00059 0.00494 0.00552 1.90558 A42 1.91546 -0.00117 -0.00224 0.00396 0.00188 1.91734 A43 1.84513 0.00080 -0.00000 0.00751 0.00741 1.85255 A44 1.99321 -0.00159 -0.00192 -0.01482 -0.01736 1.97585 A45 1.91538 -0.00001 0.00042 -0.00502 -0.00454 1.91084 A46 1.91112 -0.00059 -0.00054 0.00468 0.00446 1.91558 A47 1.91122 0.00106 0.00271 -0.00081 0.00191 1.91313 A48 1.88073 0.00124 -0.00124 0.01299 0.01198 1.89272 A49 1.84615 0.00001 0.00069 0.00481 0.00537 1.85153 A50 1.98657 -0.00174 0.00108 -0.02287 -0.02252 1.96406 A51 1.90583 0.00007 0.00023 0.00539 0.00598 1.91181 A52 1.90431 0.00070 -0.00149 0.00339 0.00189 1.90620 A53 1.90156 0.00125 0.00181 0.01032 0.01242 1.91398 A54 1.92429 -0.00034 -0.00286 -0.00062 -0.00345 1.92084 A55 1.83508 0.00021 0.00125 0.00683 0.00794 1.84303 A56 1.97114 -0.00106 0.00068 -0.01510 -0.01502 1.95612 A57 1.90471 -0.00018 0.00300 0.00494 0.00822 1.91293 A58 1.89684 0.00198 -0.00164 0.00448 0.00292 1.89976 A59 1.89349 0.00062 0.00177 0.00480 0.00679 1.90028 A60 1.94196 -0.00133 -0.00432 -0.00074 -0.00484 1.93712 A61 1.85163 0.00003 0.00052 0.00284 0.00322 1.85485 A62 1.95067 -0.00036 -0.00274 -0.01005 -0.01306 1.93761 A63 1.91092 -0.00428 -0.00362 -0.01894 -0.02237 1.88855 A64 1.90003 0.00429 0.00641 0.01820 0.02471 1.92474 A65 1.87319 0.00369 0.00131 0.02471 0.02607 1.89926 A66 1.95453 -0.00340 -0.00189 -0.01442 -0.01613 1.93839 A67 1.87244 -0.00009 0.00041 0.00031 0.00082 1.87326 D1 -3.10635 -0.00351 -0.00247 -0.01310 -0.01555 -3.12191 D2 1.09689 -0.00369 -0.00266 -0.01334 -0.01598 1.08091 D3 -0.99591 -0.00374 -0.00250 -0.01462 -0.01710 -1.01301 D4 -1.07026 0.00302 0.00212 0.00772 0.00983 -1.06043 D5 3.13298 0.00284 0.00193 0.00748 0.00940 -3.14080 D6 1.04018 0.00279 0.00209 0.00620 0.00829 1.04846 D7 0.99142 0.00088 0.00037 0.00324 0.00360 0.99502 D8 -1.08852 0.00069 0.00018 0.00300 0.00317 -1.08535 D9 3.10186 0.00064 0.00034 0.00173 0.00205 3.10391 D10 -1.10278 0.00141 0.00159 0.01131 0.01290 -1.08988 D11 3.07275 0.00042 -0.00090 -0.00125 -0.00218 3.07056 D12 1.07753 -0.00169 -0.00099 -0.00509 -0.00605 1.07148 D13 1.66002 -0.00027 -0.00213 0.01335 0.01117 1.67118 D14 -1.46718 0.00042 -0.00060 0.02546 0.02483 -1.44235 D15 -2.50887 -0.00001 0.00026 0.02249 0.02277 -2.48610 D16 0.64711 0.00068 0.00179 0.03460 0.03643 0.68355 D17 -0.45027 0.00090 -0.00031 0.02122 0.02090 -0.42937 D18 2.70571 0.00159 0.00122 0.03333 0.03457 2.74028 D19 3.07718 -0.00260 -0.00242 -0.02765 -0.03022 3.04696 D20 0.04534 -0.00274 -0.00390 -0.02118 -0.02522 0.02012 D21 -0.10863 0.00103 0.00171 -0.00116 0.00060 -0.10802 D22 -3.14046 0.00089 0.00024 0.00531 0.00560 -3.13487 D23 -3.09947 0.00243 0.00300 0.03870 0.04152 -3.05795 D24 -0.01809 0.00207 0.00149 0.02269 0.02408 0.00599 D25 0.08984 -0.00147 -0.00140 0.00948 0.00812 0.09797 D26 -3.11196 -0.00183 -0.00291 -0.00653 -0.00932 -3.12128 D27 -3.02138 -0.00241 -0.00315 -0.00660 -0.00980 -3.03119 D28 0.05683 0.00076 -0.00034 -0.00021 -0.00061 0.05622 D29 0.01113 -0.00228 -0.00170 -0.01305 -0.01479 -0.00366 D30 3.08935 0.00089 0.00111 -0.00666 -0.00561 3.08374 D31 -3.11456 -0.00116 0.00012 0.00619 0.00627 -3.10829 D32 0.01229 -0.00177 -0.00140 -0.00613 -0.00753 0.00476 D33 -0.03799 0.00240 0.00307 0.01292 0.01593 -0.02206 D34 3.08886 0.00180 0.00155 0.00059 0.00213 3.09099 D35 3.10777 0.00042 0.00015 0.00313 0.00325 3.11102 D36 -0.07320 0.00072 0.00318 0.00435 0.00752 -0.06568 D37 -0.01896 0.00115 0.00174 0.01562 0.01736 -0.00160 D38 3.08325 0.00145 0.00477 0.01685 0.02163 3.10488 D39 -0.03529 0.00050 -0.00021 -0.01670 -0.01701 -0.05230 D40 -3.11174 0.00031 0.00077 0.00178 0.00262 -3.10912 D41 -3.13370 0.00005 -0.00354 -0.01832 -0.02195 3.12753 D42 0.07303 -0.00014 -0.00256 0.00016 -0.00232 0.07070 D43 -3.10707 0.00331 -0.02187 0.16740 0.14567 -2.96140 D44 1.00331 0.00365 -0.02221 0.21767 0.19517 1.19849 D45 -1.03108 0.00089 -0.02395 0.18781 0.16390 -0.86718 D46 -0.03189 0.00345 -0.02323 0.14950 0.12648 0.09459 D47 -2.20470 0.00379 -0.02357 0.19977 0.17599 -2.02871 D48 2.04409 0.00102 -0.02531 0.16991 0.14472 2.18881 D49 3.12156 -0.00238 -0.01469 0.02721 0.01237 3.13392 D50 -1.05501 -0.00102 -0.01704 0.02576 0.00853 -1.04648 D51 0.97429 -0.00092 -0.01657 0.03308 0.01639 0.99068 D52 -0.93608 -0.00208 -0.00828 -0.02643 -0.03451 -0.97060 D53 1.17054 -0.00072 -0.01063 -0.02788 -0.03835 1.13218 D54 -3.08335 -0.00062 -0.01016 -0.02055 -0.03049 -3.11384 D55 1.05506 -0.00033 -0.01439 0.01387 -0.00044 1.05462 D56 -3.12151 0.00103 -0.01674 0.01242 -0.00428 -3.12578 D57 -1.09221 0.00113 -0.01627 0.01974 0.00359 -1.08862 D58 -2.88092 -0.00419 0.00379 -0.01816 -0.01430 -2.89523 D59 1.32917 -0.00577 0.00607 -0.03033 -0.02427 1.30489 D60 -0.71281 -0.00570 0.00404 -0.03042 -0.02638 -0.73920 D61 1.13494 0.00280 0.00452 0.03435 0.03884 1.17378 D62 -0.93816 0.00122 0.00680 0.02217 0.02887 -0.90929 D63 -2.98013 0.00129 0.00477 0.02209 0.02676 -2.95338 D64 -0.85664 0.00005 0.00883 -0.00068 0.00824 -0.84840 D65 -2.92974 -0.00153 0.01111 -0.01286 -0.00173 -2.93147 D66 1.31147 -0.00146 0.00908 -0.01294 -0.00384 1.30763 D67 -0.02001 -0.00093 0.00733 -0.02095 -0.01363 -0.03364 D68 2.13344 -0.00069 0.00982 -0.03668 -0.02690 2.10655 D69 -2.13053 -0.00102 0.01057 -0.03106 -0.02047 -2.15100 D70 -2.13136 0.00011 0.01290 -0.01678 -0.00383 -2.13519 D71 0.02210 0.00035 0.01538 -0.03250 -0.01710 0.00500 D72 2.04131 0.00002 0.01614 -0.02689 -0.01067 2.03064 D73 2.14002 -0.00148 0.01380 -0.03068 -0.01688 2.12315 D74 -1.98971 -0.00124 0.01628 -0.04640 -0.03015 -2.01985 D75 0.02950 -0.00156 0.01704 -0.04079 -0.02372 0.00578 D76 0.85937 0.00018 -0.00392 0.05974 0.05571 0.91507 D77 2.98832 0.00066 -0.00064 0.06134 0.06061 3.04894 D78 -1.29793 0.00132 0.00016 0.07419 0.07438 -1.22355 D79 -1.29634 0.00052 -0.00516 0.07767 0.07250 -1.22384 D80 0.83262 0.00099 -0.00188 0.07927 0.07740 0.91002 D81 2.82955 0.00166 -0.00108 0.09213 0.09117 2.92072 D82 2.98666 -0.00071 -0.00670 0.06545 0.05860 3.04526 D83 -1.16757 -0.00023 -0.00342 0.06705 0.06351 -1.10406 D84 0.82937 0.00043 -0.00262 0.07991 0.07727 0.90664 D85 -0.66611 -0.00012 0.00056 -0.05291 -0.05223 -0.71834 D86 1.44138 -0.00015 0.00548 -0.05326 -0.04782 1.39356 D87 -2.82988 0.00087 0.00680 -0.04480 -0.03789 -2.86777 D88 -2.79742 0.00005 -0.00186 -0.05185 -0.05356 -2.85098 D89 -0.68994 0.00002 0.00306 -0.05220 -0.04914 -0.73908 D90 1.32199 0.00104 0.00438 -0.04374 -0.03922 1.28277 D91 1.48031 -0.00072 -0.00278 -0.06555 -0.06829 1.41202 D92 -2.69539 -0.00075 0.00214 -0.06590 -0.06387 -2.75926 D93 -0.68346 0.00027 0.00346 -0.05744 -0.05394 -0.73741 D94 -0.32292 0.00105 -0.00224 0.01348 0.01136 -0.31156 D95 1.77244 -0.00206 -0.00742 0.00012 -0.00736 1.76508 D96 -2.46018 -0.00180 -0.00719 0.00766 0.00043 -2.45975 D97 -2.43678 0.00153 -0.00782 0.01365 0.00603 -2.43075 D98 -0.34142 -0.00158 -0.01300 0.00029 -0.01269 -0.35411 D99 1.70914 -0.00132 -0.01277 0.00783 -0.00490 1.70425 D100 1.81584 0.00187 -0.00704 0.00774 0.00081 1.81666 D101 -2.37198 -0.00124 -0.01222 -0.00561 -0.01791 -2.38989 D102 -0.32141 -0.00098 -0.01199 0.00192 -0.01012 -0.33153 Item Value Threshold Converged? Maximum Force 0.016752 0.000450 NO RMS Force 0.002935 0.000300 NO Maximum Displacement 0.490578 0.001800 NO RMS Displacement 0.118533 0.001200 NO Predicted change in Energy=-4.392902D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.875294 -4.959784 1.703559 2 6 0 7.192151 -5.382267 3.130606 3 8 0 6.551028 -6.054612 0.895454 4 8 0 2.580332 -1.629380 1.769049 5 6 0 3.471704 -2.424718 1.691088 6 7 0 4.781155 -1.981437 1.619041 7 6 0 5.930093 -2.723325 1.627594 8 8 0 7.015151 -2.215403 1.671211 9 7 0 5.717256 -4.075627 1.650041 10 6 0 4.438587 -4.609229 1.656829 11 6 0 3.315172 -3.889681 1.644501 12 1 0 7.696200 -4.402276 1.285238 13 1 0 7.419653 -4.512619 3.735936 14 1 0 8.057305 -6.038599 3.145593 15 1 0 4.911565 -0.990500 1.654943 16 1 0 4.432219 -5.676549 1.638747 17 6 0 1.915163 -4.443999 1.691183 18 1 0 6.355001 -5.912052 3.572628 19 1 0 7.301878 -6.638588 0.843157 20 6 0 1.813337 -5.965780 1.889237 21 6 0 0.326413 -6.431090 1.933838 22 6 0 -0.670205 -5.276403 1.819474 23 6 0 -0.397335 -4.383563 0.604950 24 6 0 1.117778 -4.123942 0.401082 25 1 0 1.419002 -3.960791 2.528702 26 1 0 2.319293 -6.465299 1.067372 27 1 0 2.325244 -6.279327 2.794184 28 1 0 0.147124 -7.147465 1.137929 29 1 0 0.134901 -6.959463 2.862950 30 1 0 -1.681626 -5.673042 1.762376 31 1 0 -0.639096 -4.685174 2.731387 32 1 0 -0.797031 -4.852900 -0.289597 33 1 0 -0.938766 -3.450564 0.726834 34 1 0 1.479636 -4.769775 -0.389323 35 1 0 1.299424 -3.101776 0.091209 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521629 0.000000 3 O 1.398868 2.420536 0.000000 4 O 5.435308 6.099744 6.009349 0.000000 5 C 4.243953 4.965988 4.826117 1.197157 0.000000 6 N 3.641855 4.434340 4.499642 2.233846 1.384323 7 C 2.429182 3.304816 3.466852 3.526701 2.477272 8 O 2.748132 3.491445 3.944203 4.474440 3.549679 9 N 1.457961 2.464690 2.276173 3.979771 2.787416 10 C 2.462238 3.217410 2.670437 3.513574 2.389168 11 C 3.717940 4.412176 3.964690 2.380012 1.474038 12 H 1.076891 2.149379 2.047819 5.839103 4.682074 13 H 2.151009 1.083729 3.346728 5.966635 4.911927 14 H 2.154172 1.086042 2.707813 7.164727 6.016931 15 H 4.428748 5.163939 5.376792 2.419883 2.032606 16 H 2.546874 3.151107 2.277009 4.452644 3.391125 17 C 4.986892 5.549675 4.971771 2.893198 2.549572 18 H 2.161235 1.084839 2.688123 5.986844 4.900519 19 H 1.934075 2.612051 0.952647 6.945677 5.757249 20 C 5.164291 5.550957 4.841612 4.405348 3.915170 21 C 6.716071 7.047740 6.321851 5.306951 5.099294 22 C 7.553029 7.971633 7.321587 4.885623 5.030309 23 C 7.377676 8.060810 7.152380 4.219852 4.470596 24 C 5.961885 6.777293 5.787236 3.198943 3.176861 25 H 5.608027 5.975963 5.778345 2.713160 2.697166 26 H 4.840295 5.401356 4.255091 4.893527 4.247749 27 H 4.861441 4.960311 4.638203 4.768436 4.170037 28 H 7.097476 7.531209 6.501008 6.063669 5.801996 29 H 7.125714 7.236295 6.771741 5.965445 5.750776 30 H 8.586797 8.983347 8.286962 5.874992 6.092085 31 H 7.589327 7.872340 7.546117 4.541882 4.805263 32 H 7.927715 8.706610 7.539392 5.102518 5.295402 33 H 8.018183 8.696057 7.931362 4.097191 4.629729 34 H 5.790456 6.737795 5.387066 3.966382 3.714261 35 H 6.094439 7.011619 6.078272 2.573678 2.781513 6 7 8 9 10 6 N 0.000000 7 C 1.367673 0.000000 8 O 2.246819 1.198848 0.000000 9 N 2.294096 1.369132 2.268349 0.000000 10 C 2.650296 2.404596 3.517000 1.385559 0.000000 11 C 2.406481 2.863300 4.061251 2.409277 1.334153 12 H 3.803862 2.460735 2.322761 2.038627 3.285263 13 H 4.224901 3.140934 3.115110 2.727649 3.635763 14 H 5.433606 4.221421 4.228086 3.400848 4.165890 15 H 1.000126 2.010181 2.434281 3.188600 3.649508 16 H 3.711602 3.311387 4.318810 2.052900 1.067492 17 C 3.779329 4.368573 5.565691 3.820118 2.529061 18 H 4.662963 3.759213 4.209084 2.734139 3.006705 19 H 5.352110 4.222134 4.509151 3.119432 3.602609 20 C 4.975533 5.246870 6.416519 4.344016 2.964149 21 C 6.304223 6.726257 7.910764 5.889816 4.506205 22 C 6.372935 7.079475 8.273838 6.501556 5.154739 23 C 5.797875 6.621068 7.796331 6.210899 4.954141 24 C 4.415211 5.159888 6.327302 4.766281 3.583319 25 H 4.006170 4.763744 5.924402 4.388646 3.209131 26 H 5.144912 5.230114 6.362178 4.194782 2.878170 27 H 5.087664 5.196251 6.306486 4.203702 2.923871 28 H 6.956548 7.297638 8.472273 6.381601 5.012839 29 H 6.922119 7.283902 8.441811 6.399246 5.049756 30 H 7.444195 8.164390 9.359354 7.570192 6.212877 31 H 6.158460 6.944167 8.112412 6.476424 5.190694 32 H 6.557771 7.311970 8.475337 6.841220 5.591032 33 H 5.972592 6.965735 8.104459 6.748751 5.578827 34 H 4.765332 5.297403 6.435258 4.753764 3.601098 35 H 3.963821 4.893546 5.995964 4.784933 3.818104 11 12 13 14 15 11 C 0.000000 12 H 4.425520 0.000000 13 H 4.648539 2.468719 0.000000 14 H 5.418391 2.503772 1.756052 0.000000 15 H 3.309657 4.419399 4.798578 6.131967 0.000000 16 H 2.107303 3.521691 3.831148 3.942451 4.710529 17 C 1.506477 5.795422 5.872404 6.510297 4.572351 18 H 4.128949 3.051293 1.765946 1.759605 5.475645 19 H 4.908408 2.313442 3.591905 2.496372 6.186557 20 C 2.574022 6.116978 6.078877 6.369526 5.865774 21 C 3.933847 7.671409 7.565853 7.835119 7.120492 22 C 4.223369 8.428893 8.348772 8.860529 7.039332 23 C 3.886810 8.122096 8.421699 8.981923 6.387471 24 C 2.535647 6.643405 7.140444 7.704238 5.077740 25 H 2.093400 6.414383 6.145708 6.983187 4.667341 26 H 2.821110 5.763215 6.078475 6.117668 6.085929 27 H 2.830572 5.886205 5.473678 5.747866 5.996550 28 H 4.572341 8.034072 8.159763 8.235974 7.802270 29 H 4.585008 8.136437 7.734129 7.980749 7.739788 30 H 5.306812 9.475554 9.384817 9.843460 8.087515 31 H 4.177363 8.464545 8.122950 8.810829 6.754197 32 H 4.645292 8.649747 9.156123 9.571085 7.161525 33 H 4.373890 8.705182 8.946832 9.668382 6.414021 34 H 2.877533 6.448634 7.236552 7.574383 5.499098 35 H 2.663972 6.635943 7.261660 7.976411 4.466576 16 17 18 19 20 16 H 0.000000 17 C 2.803123 0.000000 18 H 2.737234 5.040553 0.000000 19 H 3.129445 5.878100 2.979000 0.000000 20 C 2.646685 1.537989 4.843903 5.627702 0.000000 21 C 4.184979 2.555687 6.268883 7.063267 1.558668 22 C 5.121280 2.719096 7.268502 8.146339 2.578389 23 C 5.105403 2.555621 7.532425 8.026192 3.006638 24 C 3.863667 1.550038 6.378444 6.690438 2.467949 25 H 3.579849 1.086785 5.409370 6.679811 2.141120 26 H 2.326596 2.153629 4.782189 4.990636 1.086726 27 H 2.477442 2.180185 4.120656 5.357468 1.085951 28 H 4.558119 3.277313 6.781721 7.178882 2.176491 29 H 4.648815 3.296958 6.347468 7.453058 2.180063 30 H 6.115096 3.801645 8.241451 9.081882 3.509495 31 H 5.281564 2.768470 7.150546 8.392871 2.891988 32 H 5.634000 3.383295 8.196959 8.370432 3.577686 33 H 5.885071 3.172032 8.207100 8.836585 3.905325 34 H 3.695004 2.150423 6.385220 6.237785 2.594921 35 H 4.340360 2.177295 6.751057 7.007418 3.420457 21 22 23 24 25 21 C 0.000000 22 C 1.529585 0.000000 23 C 2.546001 1.531891 0.000000 24 C 2.880717 2.556733 1.550655 0.000000 25 H 2.765861 2.568779 2.679298 2.155022 0.000000 26 H 2.173363 3.303972 3.453625 2.714689 3.036210 27 H 2.181410 3.305848 3.974808 3.439563 2.503470 28 H 1.085730 2.152534 2.866994 3.259878 3.702272 29 H 1.085865 2.137692 3.466568 3.881626 3.279127 30 H 2.153197 1.087913 2.156801 3.476994 3.623942 31 H 2.148607 1.087246 2.161284 2.971852 2.191251 32 H 2.948979 2.154907 1.086393 2.162154 3.694519 33 H 3.455586 2.144686 1.085583 2.188361 3.011001 34 H 3.080092 3.123664 2.158879 1.082951 3.028696 35 H 3.927641 3.405194 2.187670 1.083439 2.587194 26 27 28 29 30 26 H 0.000000 27 H 1.736808 0.000000 28 H 2.277861 2.870723 0.000000 29 H 2.870517 2.294540 1.735279 0.000000 30 H 4.137397 4.181772 2.430676 2.483126 0.000000 31 H 3.832735 3.366389 3.036466 2.405986 1.732552 32 H 3.762004 4.614434 2.862566 3.904441 2.380280 33 H 4.451915 4.788486 3.874950 4.245954 2.561952 34 H 2.387841 3.623330 3.124339 4.144916 3.929284 35 H 3.647782 4.295953 4.334861 4.890850 4.276782 31 32 33 34 35 31 H 0.000000 32 H 3.029756 0.000000 33 H 2.373246 1.737748 0.000000 34 H 3.772931 2.280365 2.972338 0.000000 35 H 3.638069 2.758002 2.352694 1.745167 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.096916 -1.164857 -0.262503 2 6 0 3.459416 -1.756524 1.091706 3 8 0 2.560900 -2.126788 -1.125176 4 8 0 -0.668792 2.688507 0.454155 5 6 0 0.093154 1.791998 0.233037 6 7 0 1.442571 2.061258 0.081631 7 6 0 2.472899 1.175070 -0.072062 8 8 0 3.618770 1.527327 -0.083504 9 7 0 2.074189 -0.132903 -0.141055 10 6 0 0.737449 -0.489333 -0.064517 11 6 0 -0.271120 0.371757 0.081348 12 1 0 3.953678 -0.685517 -0.705092 13 1 0 3.852705 -0.985029 1.743310 14 1 0 4.222160 -2.521008 0.976503 15 1 0 1.713520 3.018263 0.186423 16 1 0 0.579551 -1.539917 -0.168825 17 6 0 -1.727494 0.007382 0.206552 18 1 0 2.592335 -2.208542 1.561520 19 1 0 3.215853 -2.798372 -1.291158 20 6 0 -2.027044 -1.498940 0.288253 21 6 0 -3.556842 -1.763696 0.426339 22 6 0 -4.386813 -0.480713 0.495116 23 6 0 -4.084736 0.476588 -0.662042 24 6 0 -2.568252 0.549419 -0.977484 25 1 0 -2.085144 0.472627 1.121284 26 1 0 -1.660823 -1.983042 -0.613135 27 1 0 -1.496634 -1.960681 1.115750 28 1 0 -3.895553 -2.372698 -0.406249 29 1 0 -3.749153 -2.345742 1.322633 30 1 0 -5.445367 -0.731747 0.495715 31 1 0 -4.203107 0.013819 1.445796 32 1 0 -4.613783 0.149919 -1.552910 33 1 0 -4.478524 1.458132 -0.417105 34 1 0 -2.362455 -0.062733 -1.846794 35 1 0 -2.268791 1.562503 -1.217951 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8231377 0.2820824 0.2263851 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.1916851569 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.76D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999959 0.008961 0.001309 -0.000291 Ang= 1.04 deg. 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) = -798.427873843 A.U. after 13 cycles NFock= 13 Conv=0.84D-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 -0.002007533 -0.000642993 0.000043074 2 6 0.000635061 0.000361306 0.000184280 3 8 0.007596425 -0.004058896 -0.000171345 4 8 -0.000308795 -0.000710211 0.001142512 5 6 -0.002160163 -0.001790444 -0.004240342 6 7 0.000655454 0.002566110 -0.000111942 7 6 -0.002004463 0.000452169 0.008553296 8 8 0.001155283 -0.001239065 -0.003527596 9 7 -0.001621436 0.000396620 -0.002532372 10 6 -0.001613916 0.000197426 -0.003270549 11 6 0.008392304 0.002790118 0.005935591 12 1 0.000827549 0.000039356 -0.000092980 13 1 0.000055159 -0.000130692 -0.000263534 14 1 0.000243126 -0.000141098 0.000016168 15 1 -0.000014917 -0.001797305 -0.000279386 16 1 -0.001064717 -0.000660208 0.000894271 17 6 -0.007210333 -0.004744275 -0.008062524 18 1 -0.000092785 0.000091474 -0.000582314 19 1 -0.004809225 0.003127376 0.000052090 20 6 -0.000571887 0.000445943 0.003297834 21 6 0.003012934 -0.001036811 0.001883874 22 6 -0.004239171 -0.001562096 0.000317725 23 6 0.002275007 0.001193319 -0.001118030 24 6 -0.002940315 0.004958819 0.006872572 25 1 0.002103311 0.001674039 -0.002033051 26 1 0.000163656 0.000505534 0.000002336 27 1 -0.000161772 0.001448978 0.001380393 28 1 -0.000446262 0.000608544 -0.000903668 29 1 0.000806281 -0.000996545 -0.000582015 30 1 0.000927369 -0.000083574 0.000184271 31 1 0.000208375 0.000038390 -0.001288674 32 1 -0.000642969 -0.000186227 0.000258206 33 1 0.001508191 0.000776037 -0.000289230 34 1 0.003821342 -0.000557319 -0.001636384 35 1 -0.002476166 -0.001333800 -0.000032558 ------------------------------------------------------------------- Cartesian Forces: Max 0.008553296 RMS 0.002594055 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005710443 RMS 0.001210959 Search for a local minimum. Step number 12 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 11 12 DE= -4.22D-03 DEPred=-4.39D-03 R= 9.60D-01 TightC=F SS= 1.41D+00 RLast= 5.09D-01 DXNew= 5.0454D+00 1.5262D+00 Trust test= 9.60D-01 RLast= 5.09D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00135 0.00249 0.00429 0.00442 0.00510 Eigenvalues --- 0.00754 0.01455 0.01457 0.01524 0.01743 Eigenvalues --- 0.01846 0.01918 0.01939 0.02007 0.02048 Eigenvalues --- 0.02291 0.02482 0.03072 0.03428 0.03553 Eigenvalues --- 0.03706 0.04053 0.04549 0.04697 0.04887 Eigenvalues --- 0.05040 0.05105 0.05231 0.05343 0.05620 Eigenvalues --- 0.05726 0.05988 0.06155 0.06504 0.08039 Eigenvalues --- 0.08149 0.08211 0.08292 0.08315 0.08446 Eigenvalues --- 0.08789 0.09715 0.11993 0.12206 0.15082 Eigenvalues --- 0.15861 0.15938 0.16003 0.16021 0.16050 Eigenvalues --- 0.16186 0.18301 0.18580 0.19588 0.20381 Eigenvalues --- 0.20660 0.22637 0.23812 0.23964 0.24949 Eigenvalues --- 0.25042 0.25171 0.26128 0.26772 0.27114 Eigenvalues --- 0.28268 0.28585 0.28805 0.29932 0.30187 Eigenvalues --- 0.32323 0.34380 0.34571 0.34743 0.34786 Eigenvalues --- 0.34793 0.34801 0.34810 0.34813 0.34822 Eigenvalues --- 0.34837 0.34851 0.34874 0.34915 0.34956 Eigenvalues --- 0.34968 0.35588 0.36240 0.37759 0.42423 Eigenvalues --- 0.43284 0.45023 0.47644 0.49592 0.51139 Eigenvalues --- 0.56579 0.58215 0.87518 0.96580 RFO step: Lambda=-4.02658312D-03 EMin= 1.34773243D-03 Quartic linear search produced a step of 0.29659. Iteration 1 RMS(Cart)= 0.07594960 RMS(Int)= 0.00232846 Iteration 2 RMS(Cart)= 0.00410927 RMS(Int)= 0.00033357 Iteration 3 RMS(Cart)= 0.00000820 RMS(Int)= 0.00033354 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00033354 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87546 -0.00048 -0.00026 -0.00154 -0.00180 2.87366 R2 2.64348 0.00015 -0.00020 -0.00037 -0.00057 2.64291 R3 2.75515 0.00274 0.00244 0.00709 0.00952 2.76467 R4 2.03503 0.00069 0.00031 0.00221 0.00252 2.03755 R5 2.04795 -0.00024 -0.00004 -0.00079 -0.00082 2.04713 R6 2.05232 0.00028 0.00023 0.00084 0.00106 2.05339 R7 2.05005 -0.00021 -0.00006 -0.00041 -0.00047 2.04958 R8 1.80024 -0.00571 -0.00598 -0.01414 -0.02012 1.78012 R9 2.26230 -0.00017 -0.00005 0.00009 0.00004 2.26233 R10 2.61599 0.00055 -0.00019 0.00066 0.00048 2.61648 R11 2.78553 -0.00281 -0.00127 -0.00766 -0.00899 2.77654 R12 2.58453 0.00053 0.00060 0.00125 0.00194 2.58647 R13 1.88996 -0.00179 -0.00226 -0.00377 -0.00603 1.88394 R14 2.26549 0.00039 -0.00003 0.00082 0.00079 2.26629 R15 2.58729 -0.00012 -0.00004 -0.00013 -0.00011 2.58718 R16 2.61833 -0.00042 0.00007 -0.00182 -0.00177 2.61656 R17 2.52118 -0.00163 -0.00029 -0.00334 -0.00372 2.51747 R18 2.01727 0.00065 0.00040 0.00176 0.00216 2.01942 R19 2.84683 0.00311 0.00294 0.02632 0.02927 2.87609 R20 2.90638 -0.00190 -0.00592 0.00164 -0.00438 2.90199 R21 2.92915 -0.00342 -0.00613 -0.01236 -0.01888 2.91027 R22 2.05373 -0.00178 -0.00144 -0.00466 -0.00610 2.04762 R23 2.94546 -0.00118 -0.00335 -0.01154 -0.01505 2.93040 R24 2.05361 -0.00016 -0.00021 -0.00129 -0.00150 2.05212 R25 2.05215 0.00066 0.00172 -0.00046 0.00126 2.05342 R26 2.89050 0.00257 0.00079 0.00695 0.00768 2.89818 R27 2.05173 0.00033 0.00048 0.00145 0.00192 2.05366 R28 2.05199 -0.00016 -0.00004 -0.00083 -0.00087 2.05112 R29 2.89485 0.00205 0.00097 0.00882 0.01028 2.90514 R30 2.05586 -0.00084 0.00018 -0.00356 -0.00337 2.05248 R31 2.05460 -0.00105 0.00014 -0.00277 -0.00263 2.05196 R32 2.93031 -0.00207 -0.00290 -0.00882 -0.01149 2.91883 R33 2.05298 0.00010 0.00065 0.00049 0.00114 2.05412 R34 2.05146 -0.00012 -0.00034 -0.00100 -0.00135 2.05011 R35 2.04648 0.00280 0.00318 0.01005 0.01323 2.05971 R36 2.04740 -0.00166 -0.00154 -0.00699 -0.00852 2.03888 A1 1.95276 -0.00089 -0.00058 -0.00292 -0.00369 1.94907 A2 1.94787 -0.00060 0.00093 0.00224 0.00311 1.95098 A3 1.92763 0.00008 -0.00246 -0.00632 -0.00884 1.91879 A4 1.84346 0.00239 0.00579 0.01557 0.02135 1.86481 A5 1.93637 -0.00057 -0.00261 -0.00548 -0.00816 1.92820 A6 1.85175 -0.00031 -0.00068 -0.00218 -0.00282 1.84893 A7 1.92277 -0.00004 -0.00068 -0.00011 -0.00079 1.92198 A8 1.92476 0.00016 0.00077 0.00005 0.00082 1.92558 A9 1.93588 -0.00078 -0.00059 -0.00481 -0.00541 1.93047 A10 1.88601 -0.00000 0.00006 0.00069 0.00075 1.88675 A11 1.90317 0.00041 0.00031 0.00297 0.00327 1.90645 A12 1.89018 0.00027 0.00017 0.00141 0.00157 1.89175 A13 1.90581 0.00098 0.00118 0.00594 0.00712 1.91293 A14 2.08858 0.00145 0.00281 0.00381 0.00653 2.09511 A15 2.19353 -0.00026 -0.00151 -0.00185 -0.00345 2.19008 A16 2.00099 -0.00117 -0.00104 -0.00189 -0.00300 1.99799 A17 2.24031 -0.00110 -0.00053 -0.00577 -0.00618 2.23414 A18 2.02500 0.00080 0.00011 0.00694 0.00692 2.03192 A19 2.01274 0.00033 0.00029 0.00083 0.00096 2.01370 A20 2.13027 0.00115 0.00032 0.00424 0.00352 2.13379 A21 1.98809 0.00140 0.00136 0.00714 0.00781 1.99590 A22 2.16346 -0.00240 -0.00153 -0.00765 -0.01019 2.15327 A23 2.06702 -0.00260 -0.00146 -0.00969 -0.01123 2.05578 A24 2.09357 0.00362 0.00247 0.01227 0.01463 2.10820 A25 2.12225 -0.00103 -0.00109 -0.00289 -0.00392 2.11833 A26 2.17649 -0.00106 -0.00078 -0.00545 -0.00631 2.17018 A27 1.97195 0.00161 0.00242 0.00819 0.01058 1.98253 A28 2.13420 -0.00055 -0.00159 -0.00225 -0.00387 2.13033 A29 2.03342 0.00305 0.00202 0.01148 0.01318 2.04660 A30 2.05262 -0.00009 -0.00350 -0.00172 -0.00543 2.04720 A31 2.19419 -0.00289 0.00112 -0.00649 -0.00558 2.18862 A32 2.01484 -0.00322 -0.00802 -0.02689 -0.03485 1.97999 A33 1.95660 0.00110 -0.00393 0.00416 0.00139 1.95799 A34 1.85934 0.00067 0.00336 -0.00281 0.00024 1.85958 A35 1.85191 0.00245 -0.00346 0.04731 0.04235 1.89427 A36 1.88648 0.00019 0.00618 -0.00019 0.00634 1.89282 A37 1.89098 -0.00122 0.00771 -0.02320 -0.01581 1.87517 A38 1.94145 0.00053 -0.00353 0.03270 0.02789 1.96934 A39 1.90350 -0.00103 -0.00140 -0.01681 -0.01764 1.88586 A40 1.94098 -0.00034 0.00086 -0.00643 -0.00547 1.93551 A41 1.90558 -0.00004 0.00164 -0.01505 -0.01331 1.89227 A42 1.91734 0.00030 0.00056 -0.00096 0.00032 1.91766 A43 1.85255 0.00057 0.00220 0.00461 0.00653 1.85908 A44 1.97585 -0.00096 -0.00515 0.00458 -0.00175 1.97411 A45 1.91084 0.00019 -0.00135 -0.00364 -0.00483 1.90601 A46 1.91558 0.00015 0.00132 -0.00222 -0.00044 1.91514 A47 1.91313 0.00016 0.00057 -0.00857 -0.00783 1.90530 A48 1.89272 0.00067 0.00355 0.00880 0.01281 1.90553 A49 1.85153 -0.00015 0.00159 0.00090 0.00234 1.85386 A50 1.96406 0.00038 -0.00668 0.01495 0.00799 1.97204 A51 1.91181 0.00005 0.00177 -0.00160 0.00027 1.91209 A52 1.90620 -0.00023 0.00056 -0.00658 -0.00614 1.90006 A53 1.91398 0.00059 0.00368 0.00535 0.00920 1.92317 A54 1.92084 -0.00101 -0.00102 -0.01811 -0.01921 1.90163 A55 1.84303 0.00020 0.00236 0.00531 0.00769 1.85071 A56 1.95612 -0.00028 -0.00446 0.01956 0.01439 1.97051 A57 1.91293 -0.00047 0.00244 -0.00233 0.00042 1.91334 A58 1.89976 0.00110 0.00087 -0.00128 -0.00046 1.89929 A59 1.90028 0.00043 0.00201 0.00733 0.00932 1.90960 A60 1.93712 -0.00086 -0.00144 -0.02546 -0.02654 1.91057 A61 1.85485 0.00009 0.00095 0.00131 0.00221 1.85705 A62 1.93761 0.00060 -0.00387 0.02411 0.01851 1.95612 A63 1.88855 -0.00189 -0.00663 -0.02481 -0.03130 1.85725 A64 1.92474 0.00135 0.00733 0.01387 0.02216 1.94690 A65 1.89926 0.00076 0.00773 0.01459 0.02313 1.92239 A66 1.93839 -0.00074 -0.00479 -0.01984 -0.02441 1.91398 A67 1.87326 -0.00016 0.00024 -0.00928 -0.00903 1.86423 D1 -3.12191 -0.00109 -0.00461 -0.01075 -0.01533 -3.13724 D2 1.08091 -0.00117 -0.00474 -0.01157 -0.01627 1.06463 D3 -1.01301 -0.00111 -0.00507 -0.01025 -0.01528 -1.02830 D4 -1.06043 0.00094 0.00292 0.00851 0.01141 -1.04902 D5 -3.14080 0.00087 0.00279 0.00770 0.01047 -3.13033 D6 1.04846 0.00093 0.00246 0.00902 0.01146 1.05992 D7 0.99502 0.00023 0.00107 0.00314 0.00418 0.99920 D8 -1.08535 0.00016 0.00094 0.00232 0.00324 -1.08211 D9 3.10391 0.00022 0.00061 0.00364 0.00423 3.10814 D10 -1.08988 0.00047 0.00383 0.01068 0.01450 -1.07538 D11 3.07056 0.00017 -0.00065 -0.00041 -0.00110 3.06946 D12 1.07148 -0.00050 -0.00179 -0.00375 -0.00548 1.06600 D13 1.67118 -0.00013 0.00331 -0.00350 -0.00029 1.67090 D14 -1.44235 0.00017 0.00736 0.00871 0.01605 -1.42630 D15 -2.48610 -0.00003 0.00675 0.00419 0.01096 -2.47515 D16 0.68355 0.00027 0.01081 0.01639 0.02730 0.71084 D17 -0.42937 0.00030 0.00620 0.00429 0.01046 -0.41891 D18 2.74028 0.00061 0.01025 0.01650 0.02680 2.76708 D19 3.04696 -0.00050 -0.00896 0.01435 0.00531 3.05227 D20 0.02012 -0.00086 -0.00748 -0.00805 -0.01572 0.00440 D21 -0.10802 0.00060 0.00018 0.01966 0.01977 -0.08825 D22 -3.13487 0.00024 0.00166 -0.00275 -0.00125 -3.13612 D23 -3.05795 -0.00000 0.01231 -0.02786 -0.01577 -3.07372 D24 0.00599 0.00082 0.00714 0.01478 0.02191 0.02790 D25 0.09797 -0.00120 0.00241 -0.03358 -0.03124 0.06673 D26 -3.12128 -0.00037 -0.00276 0.00906 0.00644 -3.11484 D27 -3.03119 -0.00196 -0.00291 -0.05694 -0.06024 -3.09142 D28 0.05622 0.00086 -0.00018 0.01648 0.01627 0.07249 D29 -0.00366 -0.00157 -0.00439 -0.03432 -0.03906 -0.04273 D30 3.08374 0.00125 -0.00166 0.03909 0.03744 3.12119 D31 -3.10829 -0.00125 0.00186 -0.02593 -0.02416 -3.13245 D32 0.00476 -0.00148 -0.00223 -0.03809 -0.04029 -0.03552 D33 -0.02206 0.00176 0.00472 0.04953 0.05381 0.03175 D34 3.09099 0.00153 0.00063 0.03737 0.03768 3.12867 D35 3.11102 0.00032 0.00096 0.01071 0.01141 3.12243 D36 -0.06568 0.00054 0.00223 0.02610 0.02820 -0.03748 D37 -0.00160 0.00066 0.00515 0.02341 0.02844 0.02684 D38 3.10488 0.00088 0.00642 0.03880 0.04524 -3.13307 D39 -0.05230 0.00070 -0.00504 0.01492 0.00989 -0.04240 D40 -3.10912 -0.00038 0.00078 -0.03196 -0.03129 -3.14042 D41 3.12753 0.00042 -0.00651 -0.00203 -0.00853 3.11900 D42 0.07070 -0.00065 -0.00069 -0.04892 -0.04972 0.02098 D43 -2.96140 0.00119 0.04320 -0.00489 0.03797 -2.92343 D44 1.19849 -0.00052 0.05789 -0.05136 0.00690 1.20539 D45 -0.86718 -0.00007 0.04861 -0.02376 0.02515 -0.84203 D46 0.09459 0.00241 0.03751 0.04303 0.07998 0.17457 D47 -2.02871 0.00069 0.05220 -0.00344 0.04892 -1.97979 D48 2.18881 0.00115 0.04292 0.02416 0.06716 2.25597 D49 3.13392 -0.00014 0.00367 0.06503 0.06933 -3.07993 D50 -1.04648 -0.00053 0.00253 0.05590 0.05843 -0.98805 D51 0.99068 -0.00066 0.00486 0.04756 0.05270 1.04338 D52 -0.97060 0.00101 -0.01024 0.08901 0.07954 -0.89106 D53 1.13218 0.00061 -0.01138 0.07988 0.06864 1.20083 D54 -3.11384 0.00048 -0.00904 0.07153 0.06291 -3.05093 D55 1.05462 0.00092 -0.00013 0.08595 0.08637 1.14099 D56 -3.12578 0.00053 -0.00127 0.07681 0.07547 -3.05031 D57 -1.08862 0.00039 0.00106 0.06847 0.06974 -1.01888 D58 -2.89523 -0.00233 -0.00424 -0.08895 -0.09316 -2.98838 D59 1.30489 -0.00244 -0.00720 -0.10561 -0.11247 1.19242 D60 -0.73920 -0.00190 -0.00783 -0.08771 -0.09534 -0.83454 D61 1.17378 -0.00076 0.01152 -0.09189 -0.08069 1.09309 D62 -0.90929 -0.00087 0.00856 -0.10854 -0.10001 -1.00929 D63 -2.95338 -0.00033 0.00794 -0.09064 -0.08287 -3.03625 D64 -0.84840 -0.00163 0.00244 -0.10454 -0.10190 -0.95030 D65 -2.93147 -0.00175 -0.00051 -0.12120 -0.12121 -3.05268 D66 1.30763 -0.00121 -0.00114 -0.10330 -0.10408 1.20355 D67 -0.03364 -0.00087 -0.00404 -0.04046 -0.04445 -0.07809 D68 2.10655 -0.00119 -0.00798 -0.05102 -0.05921 2.04734 D69 -2.15100 -0.00118 -0.00607 -0.05328 -0.05941 -2.21041 D70 -2.13519 0.00010 -0.00114 -0.03032 -0.03109 -2.16628 D71 0.00500 -0.00022 -0.00507 -0.04088 -0.04585 -0.04085 D72 2.03064 -0.00021 -0.00317 -0.04314 -0.04604 1.98459 D73 2.12315 -0.00072 -0.00501 -0.02673 -0.03154 2.09161 D74 -2.01985 -0.00105 -0.00894 -0.03729 -0.04630 -2.06615 D75 0.00578 -0.00103 -0.00704 -0.03955 -0.04649 -0.04071 D76 0.91507 -0.00109 0.01652 -0.02872 -0.01258 0.90249 D77 3.04894 -0.00003 0.01798 -0.01283 0.00497 3.05391 D78 -1.22355 0.00011 0.02206 -0.01102 0.01090 -1.21266 D79 -1.22384 -0.00078 0.02150 -0.02090 0.00050 -1.22334 D80 0.91002 0.00028 0.02296 -0.00501 0.01806 0.92809 D81 2.92072 0.00042 0.02704 -0.00320 0.02399 2.94470 D82 3.04526 -0.00106 0.01738 -0.02222 -0.00509 3.04017 D83 -1.10406 -0.00000 0.01884 -0.00633 0.01247 -1.09159 D84 0.90664 0.00014 0.02292 -0.00452 0.01839 0.92503 D85 -0.71834 0.00076 -0.01549 0.02826 0.01299 -0.70535 D86 1.39356 0.00080 -0.01418 0.04882 0.03485 1.42842 D87 -2.86777 0.00126 -0.01124 0.04839 0.03746 -2.83031 D88 -2.85098 0.00001 -0.01588 0.01627 0.00035 -2.85063 D89 -0.73908 0.00005 -0.01457 0.03683 0.02222 -0.71686 D90 1.28277 0.00051 -0.01163 0.03639 0.02483 1.30760 D91 1.41202 0.00000 -0.02025 0.01713 -0.00312 1.40891 D92 -2.75926 0.00004 -0.01894 0.03769 0.01875 -2.74051 D93 -0.73741 0.00051 -0.01600 0.03726 0.02136 -0.71605 D94 -0.31156 0.00066 0.00337 0.02612 0.02999 -0.28157 D95 1.76508 -0.00081 -0.00218 0.01932 0.01748 1.78256 D96 -2.45975 -0.00098 0.00013 0.00526 0.00594 -2.45381 D97 -2.43075 0.00114 0.00179 0.01136 0.01332 -2.41743 D98 -0.35411 -0.00034 -0.00376 0.00456 0.00080 -0.35330 D99 1.70425 -0.00050 -0.00145 -0.00951 -0.01074 1.69351 D100 1.81666 0.00127 0.00024 0.02000 0.02036 1.83702 D101 -2.38989 -0.00021 -0.00531 0.01320 0.00785 -2.38204 D102 -0.33153 -0.00037 -0.00300 -0.00086 -0.00369 -0.33523 Item Value Threshold Converged? Maximum Force 0.005710 0.000450 NO RMS Force 0.001211 0.000300 NO Maximum Displacement 0.351239 0.001800 NO RMS Displacement 0.075782 0.001200 NO Predicted change in Energy=-2.675471D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.858081 -4.979495 1.670169 2 6 0 7.198279 -5.430493 3.082018 3 8 0 6.550150 -6.063443 0.841785 4 8 0 2.597903 -1.588027 1.785891 5 6 0 3.481771 -2.392137 1.712315 6 7 0 4.798516 -1.970172 1.640272 7 6 0 5.931319 -2.738307 1.648476 8 8 0 7.030238 -2.258383 1.631409 9 7 0 5.698667 -4.087469 1.649730 10 6 0 4.411671 -4.596950 1.685095 11 6 0 3.307966 -3.850944 1.690725 12 1 0 7.676453 -4.410763 1.258616 13 1 0 7.427941 -4.572469 3.702157 14 1 0 8.068110 -6.081633 3.070999 15 1 0 4.950199 -0.984996 1.657629 16 1 0 4.374484 -5.664924 1.690161 17 6 0 1.883247 -4.384753 1.730704 18 1 0 6.368539 -5.975325 3.519079 19 1 0 7.297310 -6.633374 0.776239 20 6 0 1.803367 -5.892687 2.010052 21 6 0 0.352417 -6.437711 1.961347 22 6 0 -0.696784 -5.338539 1.753793 23 6 0 -0.386792 -4.431884 0.551598 24 6 0 1.113757 -4.086339 0.430479 25 1 0 1.379549 -3.860045 2.533862 26 1 0 2.388516 -6.406578 1.253239 27 1 0 2.256662 -6.134005 2.967670 28 1 0 0.270583 -7.165283 1.158251 29 1 0 0.131129 -6.973137 2.879201 30 1 0 -1.678216 -5.789634 1.639879 31 1 0 -0.749037 -4.729108 2.650977 32 1 0 -0.721934 -4.912334 -0.364048 33 1 0 -0.962063 -3.516925 0.645719 34 1 0 1.577006 -4.692881 -0.347659 35 1 0 1.225996 -3.055852 0.131171 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520675 0.000000 3 O 1.398566 2.416473 0.000000 4 O 5.446519 6.132533 6.044911 0.000000 5 C 4.253900 4.992007 4.863256 1.197176 0.000000 6 N 3.646742 4.450992 4.523348 2.238289 1.384580 7 C 2.425342 3.302742 3.477101 3.528978 2.474711 8 O 2.726828 3.492104 3.915670 4.485403 3.551908 9 N 1.463000 2.470628 2.298320 3.985033 2.791540 10 C 2.476184 3.226667 2.726696 3.514759 2.393043 11 C 3.725234 4.423258 4.015920 2.373613 1.469283 12 H 1.078223 2.143198 2.042953 5.834169 4.677184 13 H 2.149276 1.083292 3.342940 5.992349 4.928040 14 H 2.154346 1.086605 2.697023 7.194940 6.040936 15 H 4.426759 5.181236 5.386657 2.431747 2.034531 16 H 2.576522 3.156904 2.368983 4.448202 3.392428 17 C 5.010625 5.582938 5.038667 2.887119 2.554631 18 H 2.156339 1.084589 2.684893 6.039042 4.943386 19 H 1.930634 2.602565 0.942001 6.968454 5.781234 20 C 5.147774 5.519766 4.891417 4.383108 3.893525 21 C 6.673443 7.009723 6.309151 5.347189 5.120698 22 C 7.563854 8.006539 7.339979 4.992227 5.113055 23 C 7.351141 8.058136 7.132136 4.303418 4.524778 24 C 5.944058 6.771915 5.799352 3.206462 3.181339 25 H 5.658042 6.051810 5.869685 2.684384 2.692403 26 H 4.710351 5.237461 4.195978 4.852422 4.185893 27 H 4.918278 4.992753 4.791493 4.709455 4.132601 28 H 6.959516 7.396171 6.383351 6.075865 5.779415 29 H 7.119569 7.236401 6.795766 6.023264 5.794307 30 H 8.574708 9.000051 8.271514 5.996667 6.178487 31 H 7.674172 7.989842 7.637523 4.670843 4.923643 32 H 7.848515 8.652956 7.460717 5.166680 5.322952 33 H 8.021425 8.728601 7.934516 4.206423 4.706425 34 H 5.660700 6.626120 5.293900 3.903125 3.628367 35 H 6.147300 7.072099 6.156070 2.602832 2.833559 6 7 8 9 10 6 N 0.000000 7 C 1.368701 0.000000 8 O 2.250273 1.199267 0.000000 9 N 2.300720 1.369075 2.262514 0.000000 10 C 2.655489 2.401088 3.511221 1.384623 0.000000 11 C 2.400331 2.849865 4.049084 2.402723 1.332187 12 H 3.792713 2.448386 2.278005 2.041844 3.297780 13 H 4.235233 3.133949 3.130680 2.727283 3.628640 14 H 5.444386 4.215125 4.215072 3.407485 4.182650 15 H 0.996935 2.009174 2.439009 3.191490 3.651983 16 H 3.719340 3.315202 4.319838 2.059966 1.068634 17 C 3.786446 4.370862 5.569814 3.827841 2.537722 18 H 4.694267 3.764121 4.220995 2.739926 3.015419 19 H 5.360595 4.218800 4.465780 3.130540 3.646911 20 C 4.949119 5.207767 6.377438 4.308365 2.930492 21 C 6.311085 6.701315 7.884728 5.848344 4.465675 22 C 6.446480 7.120677 8.319207 6.517499 5.162459 23 C 5.842316 6.632486 7.804002 6.193330 4.933286 24 C 4.418056 5.148749 6.307806 4.744258 3.565252 25 H 4.007425 4.770829 5.942224 4.414543 3.233758 26 H 5.063556 5.115064 6.236675 4.061105 2.748528 27 H 5.055741 5.174374 6.292302 4.215765 2.941360 28 H 6.908234 7.202941 8.366270 6.259280 4.901276 29 H 6.953352 7.286335 8.448881 6.390318 5.039364 30 H 7.519066 8.198518 9.397179 7.570724 6.205744 31 H 6.277627 7.042404 8.225638 6.556454 5.251980 32 H 6.568789 7.283023 8.433355 6.779368 5.536457 33 H 6.046970 7.009313 8.150606 6.760095 5.578868 34 H 4.662954 5.173485 6.291361 4.619975 3.489500 35 H 4.027280 4.954100 6.047801 4.834774 3.864995 11 12 13 14 15 11 C 0.000000 12 H 4.425359 0.000000 13 H 4.641191 2.461463 0.000000 14 H 5.435081 2.495984 1.756630 0.000000 15 H 3.303284 4.396312 4.815524 6.139601 0.000000 16 H 2.104278 3.558392 3.816436 3.965253 4.715319 17 C 1.521964 5.812468 5.887742 6.551971 4.579289 18 H 4.150058 3.044370 1.767443 1.760857 5.511812 19 H 4.949048 2.305739 3.581255 2.482836 6.179802 20 C 2.556267 6.103597 6.020136 6.356754 5.840564 21 C 3.936987 7.631766 7.521475 7.803207 7.138903 22 C 4.272579 8.439020 8.390122 8.894414 7.130989 23 C 3.909775 8.094211 8.427090 8.975212 6.448862 24 C 2.541296 6.622692 7.128052 7.701726 5.083554 25 H 2.104697 6.448297 6.201250 7.068296 4.667251 26 H 2.751008 5.652042 5.895503 5.972238 6.009934 27 H 2.819254 5.938398 5.451605 5.812603 5.956815 28 H 4.527037 7.902175 8.026327 8.101502 7.768149 29 H 4.610082 8.131665 7.725538 7.989195 7.782898 30 H 5.350057 9.463429 9.415763 9.855164 8.186620 31 H 4.260578 8.545694 8.245756 8.930164 6.891038 32 H 4.646368 8.568402 9.114275 9.509558 7.189177 33 H 4.408713 8.706236 8.991560 9.695552 6.510719 34 H 2.803585 6.313712 7.116807 7.466611 5.398890 35 H 2.720106 6.686951 7.315476 8.038188 4.526390 16 17 18 19 20 16 H 0.000000 17 C 2.801204 0.000000 18 H 2.723517 5.083901 0.000000 19 H 3.211863 5.939645 2.969649 0.000000 20 C 2.600933 1.535669 4.808825 5.679290 0.000000 21 C 4.104603 2.571239 6.231697 7.048000 1.550702 22 C 5.082159 2.750782 7.310303 8.157068 2.573616 23 C 5.048412 2.558435 7.538081 7.996403 3.009622 24 C 3.835502 1.540049 6.381259 6.696512 2.496699 25 H 3.597090 1.083555 5.507729 6.767605 2.141408 26 H 2.164491 2.138001 4.600064 4.937127 1.085933 27 H 2.517387 2.174720 4.151718 5.519046 1.086621 28 H 4.401819 3.264925 6.646396 7.057178 2.166677 29 H 4.596879 3.329969 6.349044 7.476098 2.172366 30 H 6.054194 3.829616 8.265358 9.056371 3.502723 31 H 5.296167 2.809697 7.277812 8.478477 2.877406 32 H 5.546138 3.384272 8.153738 8.280732 3.602025 33 H 5.846665 3.166403 8.248494 8.828733 3.892717 34 H 3.594922 2.123280 6.289286 6.144147 2.655103 35 H 4.376150 2.180931 6.815203 7.076414 3.451258 21 22 23 24 25 21 C 0.000000 22 C 1.533650 0.000000 23 C 2.560696 1.537332 0.000000 24 C 2.907257 2.568506 1.544577 0.000000 25 H 2.833220 2.665635 2.715941 2.132153 0.000000 26 H 2.155942 3.303080 3.477651 2.772265 3.023713 27 H 2.175102 3.290761 3.965157 3.454925 2.475563 28 H 1.086748 2.151154 2.876045 3.274216 3.747894 29 H 1.085406 2.150324 3.484816 3.910934 3.371817 30 H 2.155648 1.086127 2.166937 3.486972 3.724573 31 H 2.146652 1.085852 2.151036 2.968798 2.302144 32 H 2.981354 2.160448 1.086996 2.164094 3.731143 33 H 3.462619 2.148599 1.084871 2.163235 3.027534 34 H 3.142541 3.162767 2.175612 1.089950 3.005955 35 H 3.943305 3.397152 2.161321 1.078928 2.538352 26 27 28 29 30 26 H 0.000000 27 H 1.740964 0.000000 28 H 2.251732 2.877853 0.000000 29 H 2.839109 2.286889 1.737250 0.000000 30 H 4.131395 4.167120 2.433556 2.492053 0.000000 31 H 3.822540 3.332905 3.033612 2.421248 1.735053 32 H 3.810943 4.633019 2.894523 3.936152 2.387437 33 H 4.466045 4.754025 3.884922 4.257806 2.581945 34 H 2.481568 3.678339 3.176048 4.207465 3.968583 35 H 3.719927 4.310803 4.342249 4.908719 4.264295 31 32 33 34 35 31 H 0.000000 32 H 3.020709 0.000000 33 H 2.352834 1.739097 0.000000 34 H 3.795208 2.309450 2.969267 0.000000 35 H 3.612473 2.736092 2.294547 1.741364 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.078345 -1.176504 -0.280813 2 6 0 3.453942 -1.792991 1.057590 3 8 0 2.563702 -2.131731 -1.163236 4 8 0 -0.649900 2.724505 0.458703 5 6 0 0.106064 1.820402 0.248122 6 7 0 1.459943 2.069263 0.099319 7 6 0 2.472688 1.160438 -0.048078 8 8 0 3.623458 1.490404 -0.119428 9 7 0 2.055636 -0.140763 -0.133580 10 6 0 0.716330 -0.476672 -0.030600 11 6 0 -0.269748 0.405223 0.126354 12 1 0 3.935799 -0.686483 -0.713497 13 1 0 3.844829 -1.031813 1.721923 14 1 0 4.221816 -2.549825 0.922378 15 1 0 1.747825 3.020190 0.181432 16 1 0 0.531657 -1.526482 -0.106567 17 6 0 -1.748122 0.063100 0.243556 18 1 0 2.590426 -2.260197 1.518448 19 1 0 3.217748 -2.787297 -1.335925 20 6 0 -2.016200 -1.439914 0.408975 21 6 0 -3.528459 -1.781708 0.439401 22 6 0 -4.427097 -0.539317 0.407831 23 6 0 -4.082069 0.422243 -0.740972 24 6 0 -2.560821 0.575747 -0.959966 25 1 0 -2.114581 0.575850 1.124967 26 1 0 -1.564436 -1.956905 -0.432380 27 1 0 -1.532672 -1.823739 1.303192 28 1 0 -3.768474 -2.417291 -0.408802 29 1 0 -3.754913 -2.363099 1.327550 30 1 0 -5.467311 -0.844645 0.341485 31 1 0 -4.329109 -0.011042 1.351441 32 1 0 -4.546097 0.074178 -1.660259 33 1 0 -4.516363 1.393126 -0.527143 34 1 0 -2.243863 -0.014676 -1.819576 35 1 0 -2.328532 1.604945 -1.185535 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8141754 0.2819043 0.2260374 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1275.9638516854 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.69D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000363 0.000602 0.000379 Ang= 0.09 deg. 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) = -798.429443615 A.U. after 13 cycles NFock= 13 Conv=0.55D-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 0.002511753 0.000063681 -0.000622113 2 6 -0.000832276 0.000205411 0.000392058 3 8 -0.008240784 0.005302594 0.000691706 4 8 0.000766784 0.000097366 -0.000052359 5 6 -0.001157831 -0.000373194 -0.000924612 6 7 0.001013432 -0.001637449 0.002699257 7 6 0.000810749 0.000978036 -0.006623248 8 8 -0.000684740 0.001233723 0.002630511 9 7 0.000509454 -0.003065743 0.001102514 10 6 0.000953311 -0.001059737 -0.001217198 11 6 -0.004473977 -0.000181445 0.002255767 12 1 -0.001059116 0.000170190 0.000175703 13 1 0.000043298 -0.000108973 0.000277784 14 1 -0.000253871 0.000173243 -0.000140860 15 1 0.000321332 0.001345653 -0.000005743 16 1 0.000837919 0.000251784 -0.000495898 17 6 0.000696747 0.001814262 0.001115096 18 1 0.000136126 -0.000141326 0.000380631 19 1 0.005075052 -0.003384532 -0.000128505 20 6 0.000372340 -0.000727772 -0.001685830 21 6 -0.000901503 0.001187416 -0.002030894 22 6 0.000749169 0.000359895 0.001296064 23 6 -0.000473065 -0.002344965 0.000554445 24 6 0.003418719 -0.006541202 -0.002844445 25 1 0.001447765 0.001840187 0.001849606 26 1 0.000362660 -0.001349011 0.000515117 27 1 0.000308500 0.002320314 0.000070814 28 1 -0.000604379 0.000404528 -0.000016693 29 1 -0.000463693 -0.000357739 -0.000452830 30 1 -0.000076839 0.000357908 -0.000331323 31 1 -0.000442098 -0.000095702 0.000719521 32 1 0.000266415 0.000248948 0.000311943 33 1 -0.000921089 -0.000178240 0.000040898 34 1 -0.001729971 0.001351313 -0.000897631 35 1 0.001713708 0.001840582 0.001390748 ------------------------------------------------------------------- Cartesian Forces: Max 0.008240784 RMS 0.001885160 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006082000 RMS 0.000988501 Search for a local minimum. Step number 13 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 12 13 DE= -1.57D-03 DEPred=-2.68D-03 R= 5.87D-01 TightC=F SS= 1.41D+00 RLast= 4.67D-01 DXNew= 5.0454D+00 1.3997D+00 Trust test= 5.87D-01 RLast= 4.67D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00118 0.00248 0.00430 0.00442 0.00511 Eigenvalues --- 0.00805 0.01451 0.01457 0.01485 0.01785 Eigenvalues --- 0.01879 0.01935 0.01951 0.02017 0.02073 Eigenvalues --- 0.02334 0.02499 0.03065 0.03366 0.03480 Eigenvalues --- 0.03660 0.04421 0.04617 0.04707 0.04837 Eigenvalues --- 0.05157 0.05196 0.05267 0.05349 0.05654 Eigenvalues --- 0.05729 0.05939 0.06308 0.06550 0.08187 Eigenvalues --- 0.08243 0.08316 0.08346 0.08414 0.08468 Eigenvalues --- 0.08836 0.09982 0.12214 0.12513 0.15345 Eigenvalues --- 0.15907 0.15964 0.16010 0.16027 0.16071 Eigenvalues --- 0.16239 0.18441 0.18996 0.19907 0.20574 Eigenvalues --- 0.20783 0.22844 0.23848 0.24715 0.24989 Eigenvalues --- 0.25084 0.25160 0.26264 0.27041 0.27527 Eigenvalues --- 0.28289 0.28628 0.29363 0.29949 0.30118 Eigenvalues --- 0.32268 0.34562 0.34664 0.34775 0.34789 Eigenvalues --- 0.34798 0.34800 0.34813 0.34820 0.34835 Eigenvalues --- 0.34843 0.34857 0.34899 0.34933 0.34962 Eigenvalues --- 0.35087 0.36065 0.36747 0.37797 0.42490 Eigenvalues --- 0.43680 0.45041 0.47665 0.49619 0.51205 Eigenvalues --- 0.56604 0.59051 0.87517 0.96579 RFO step: Lambda=-1.70290253D-03 EMin= 1.18484439D-03 Quartic linear search produced a step of -0.23290. Iteration 1 RMS(Cart)= 0.12805756 RMS(Int)= 0.00475108 Iteration 2 RMS(Cart)= 0.00821470 RMS(Int)= 0.00011749 Iteration 3 RMS(Cart)= 0.00003794 RMS(Int)= 0.00011590 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00011590 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87366 0.00060 0.00042 0.00102 0.00144 2.87510 R2 2.64291 -0.00112 0.00013 0.00017 0.00031 2.64321 R3 2.76467 -0.00345 -0.00222 -0.00628 -0.00850 2.75617 R4 2.03755 -0.00078 -0.00059 -0.00117 -0.00175 2.03579 R5 2.04713 0.00008 0.00019 0.00002 0.00021 2.04733 R6 2.05339 -0.00031 -0.00025 -0.00058 -0.00083 2.05256 R7 2.04958 0.00012 0.00011 -0.00016 -0.00005 2.04953 R8 1.78012 0.00608 0.00469 0.01064 0.01532 1.79544 R9 2.26233 -0.00050 -0.00001 -0.00072 -0.00072 2.26161 R10 2.61648 0.00070 -0.00011 -0.00141 -0.00153 2.61494 R11 2.77654 0.00020 0.00209 -0.00289 -0.00082 2.77572 R12 2.58647 -0.00102 -0.00045 0.00081 0.00037 2.58684 R13 1.88394 0.00138 0.00140 0.00212 0.00352 1.88746 R14 2.26629 -0.00017 -0.00018 -0.00033 -0.00051 2.26577 R15 2.58718 0.00159 0.00003 0.00187 0.00192 2.58910 R16 2.61656 -0.00094 0.00041 0.00121 0.00163 2.61819 R17 2.51747 0.00051 0.00087 -0.00360 -0.00274 2.51473 R18 2.01942 -0.00028 -0.00050 0.00009 -0.00041 2.01901 R19 2.87609 -0.00354 -0.00682 -0.01640 -0.02321 2.85288 R20 2.90199 -0.00020 0.00102 0.00415 0.00520 2.90720 R21 2.91027 -0.00020 0.00440 0.00450 0.00905 2.91932 R22 2.04762 0.00159 0.00142 0.00256 0.00398 2.05161 R23 2.93040 0.00135 0.00351 0.00462 0.00810 2.93850 R24 2.05212 0.00047 0.00035 0.00150 0.00185 2.05396 R25 2.05342 -0.00032 -0.00029 -0.00174 -0.00203 2.05138 R26 2.89818 -0.00185 -0.00179 -0.00560 -0.00742 2.89076 R27 2.05366 -0.00021 -0.00045 -0.00019 -0.00064 2.05301 R28 2.05112 -0.00011 0.00020 -0.00071 -0.00050 2.05062 R29 2.90514 -0.00136 -0.00239 -0.00219 -0.00471 2.90043 R30 2.05248 -0.00004 0.00079 -0.00141 -0.00062 2.05186 R31 2.05196 0.00056 0.00061 -0.00004 0.00057 2.05254 R32 2.91883 0.00160 0.00268 0.00551 0.00819 2.92701 R33 2.05412 -0.00045 -0.00027 -0.00139 -0.00166 2.05247 R34 2.05011 0.00034 0.00031 0.00021 0.00052 2.05063 R35 2.05971 -0.00085 -0.00308 -0.00011 -0.00319 2.05651 R36 2.03888 0.00155 0.00199 0.00235 0.00433 2.04321 A1 1.94907 0.00134 0.00086 0.00245 0.00326 1.95234 A2 1.95098 0.00075 -0.00072 -0.00135 -0.00208 1.94890 A3 1.91879 -0.00014 0.00206 0.00457 0.00661 1.92540 A4 1.86481 -0.00307 -0.00497 -0.01008 -0.01505 1.84977 A5 1.92820 0.00072 0.00190 0.00494 0.00680 1.93500 A6 1.84893 0.00031 0.00066 -0.00098 -0.00031 1.84862 A7 1.92198 0.00037 0.00018 0.00278 0.00296 1.92494 A8 1.92558 -0.00039 -0.00019 -0.00229 -0.00248 1.92311 A9 1.93047 0.00057 0.00126 0.00135 0.00261 1.93308 A10 1.88675 -0.00005 -0.00017 -0.00053 -0.00070 1.88605 A11 1.90645 -0.00037 -0.00076 -0.00070 -0.00146 1.90498 A12 1.89175 -0.00015 -0.00037 -0.00071 -0.00108 1.89067 A13 1.91293 -0.00087 -0.00166 -0.00035 -0.00201 1.91092 A14 2.09511 -0.00085 -0.00152 0.00481 0.00330 2.09841 A15 2.19008 0.00048 0.00080 -0.00674 -0.00593 2.18415 A16 1.99799 0.00037 0.00070 0.00192 0.00260 2.00059 A17 2.23414 0.00046 0.00144 -0.00396 -0.00250 2.23163 A18 2.03192 -0.00014 -0.00161 0.00639 0.00478 2.03670 A19 2.01370 -0.00030 -0.00022 -0.00162 -0.00185 2.01185 A20 2.13379 -0.00107 -0.00082 -0.00320 -0.00420 2.12959 A21 1.99590 -0.00099 -0.00182 0.00178 -0.00013 1.99576 A22 2.15327 0.00210 0.00237 0.00205 0.00424 2.15751 A23 2.05578 0.00232 0.00262 0.00266 0.00526 2.06104 A24 2.10820 -0.00308 -0.00341 -0.00515 -0.00857 2.09963 A25 2.11833 0.00077 0.00091 0.00249 0.00346 2.12178 A26 2.17018 0.00010 0.00147 -0.00671 -0.00522 2.16496 A27 1.98253 -0.00090 -0.00246 0.00140 -0.00106 1.98146 A28 2.13033 0.00079 0.00090 0.00543 0.00633 2.13666 A29 2.04660 -0.00066 -0.00307 0.00654 0.00340 2.05000 A30 2.04720 0.00008 0.00126 -0.01731 -0.01610 2.03110 A31 2.18862 0.00058 0.00130 0.01211 0.01337 2.20199 A32 1.97999 0.00146 0.00812 0.00897 0.01714 1.99713 A33 1.95799 -0.00052 -0.00032 -0.00210 -0.00307 1.95491 A34 1.85958 -0.00140 -0.00006 -0.01663 -0.01662 1.84296 A35 1.89427 -0.00152 -0.00986 0.02456 0.01472 1.90898 A36 1.89282 0.00053 -0.00148 -0.00610 -0.00759 1.88523 A37 1.87517 0.00157 0.00368 -0.01113 -0.00735 1.86782 A38 1.96934 0.00020 -0.00650 0.00256 -0.00430 1.96505 A39 1.88586 0.00080 0.00411 0.01176 0.01596 1.90182 A40 1.93551 -0.00161 0.00127 -0.02128 -0.01978 1.91573 A41 1.89227 -0.00060 0.00310 -0.01322 -0.00991 1.88237 A42 1.91766 0.00118 -0.00007 0.01777 0.01767 1.93533 A43 1.85908 0.00003 -0.00152 0.00235 0.00088 1.85995 A44 1.97411 0.00056 0.00041 -0.00509 -0.00517 1.96894 A45 1.90601 0.00007 0.00112 0.00542 0.00673 1.91275 A46 1.91514 0.00031 0.00010 0.00339 0.00359 1.91873 A47 1.90530 -0.00016 0.00182 -0.00822 -0.00623 1.89908 A48 1.90553 -0.00078 -0.00298 0.00460 0.00178 1.90730 A49 1.85386 -0.00003 -0.00054 0.00015 -0.00050 1.85337 A50 1.97204 -0.00113 -0.00186 -0.00828 -0.01057 1.96147 A51 1.91209 0.00056 -0.00006 0.00171 0.00181 1.91390 A52 1.90006 0.00028 0.00143 0.00401 0.00552 1.90558 A53 1.92317 -0.00012 -0.00214 -0.00229 -0.00437 1.91880 A54 1.90163 0.00077 0.00447 0.00461 0.00928 1.91091 A55 1.85071 -0.00030 -0.00179 0.00094 -0.00093 1.84978 A56 1.97051 0.00076 -0.00335 0.00013 -0.00333 1.96718 A57 1.91334 0.00021 -0.00010 -0.00424 -0.00435 1.90899 A58 1.89929 -0.00097 0.00011 0.00086 0.00107 1.90037 A59 1.90960 -0.00044 -0.00217 0.00142 -0.00078 1.90882 A60 1.91057 0.00040 0.00618 0.00040 0.00668 1.91725 A61 1.85705 0.00001 -0.00051 0.00151 0.00096 1.85802 A62 1.95612 -0.00024 -0.00431 0.00247 -0.00150 1.95462 A63 1.85725 0.00192 0.00729 0.01287 0.02022 1.87747 A64 1.94690 -0.00198 -0.00516 -0.01915 -0.02447 1.92243 A65 1.92239 -0.00079 -0.00539 -0.00478 -0.01048 1.91190 A66 1.91398 0.00122 0.00569 0.00810 0.01379 1.92777 A67 1.86423 -0.00014 0.00210 0.00040 0.00264 1.86687 D1 -3.13724 0.00134 0.00357 0.00651 0.01009 -3.12715 D2 1.06463 0.00142 0.00379 0.00685 0.01065 1.07528 D3 -1.02830 0.00149 0.00356 0.00834 0.01191 -1.01638 D4 -1.04902 -0.00115 -0.00266 -0.00560 -0.00826 -1.05728 D5 -3.13033 -0.00107 -0.00244 -0.00526 -0.00770 -3.13804 D6 1.05992 -0.00100 -0.00267 -0.00376 -0.00644 1.05349 D7 0.99920 -0.00040 -0.00097 -0.00473 -0.00571 0.99349 D8 -1.08211 -0.00032 -0.00075 -0.00439 -0.00515 -1.08727 D9 3.10814 -0.00025 -0.00099 -0.00290 -0.00389 3.10426 D10 -1.07538 -0.00052 -0.00338 -0.00403 -0.00742 -1.08280 D11 3.06946 -0.00022 0.00026 0.00284 0.00309 3.07255 D12 1.06600 0.00075 0.00128 0.00705 0.00835 1.07435 D13 1.67090 0.00001 0.00007 0.00938 0.00945 1.68034 D14 -1.42630 -0.00012 -0.00374 0.00929 0.00552 -1.42078 D15 -2.47515 0.00008 -0.00255 0.00487 0.00234 -2.47281 D16 0.71084 -0.00005 -0.00636 0.00478 -0.00159 0.70926 D17 -0.41891 -0.00043 -0.00244 0.00520 0.00279 -0.41612 D18 2.76708 -0.00056 -0.00624 0.00512 -0.00113 2.76595 D19 3.05227 0.00035 -0.00124 0.01690 0.01554 3.06781 D20 0.00440 0.00006 0.00366 0.00593 0.00952 0.01392 D21 -0.08825 0.00078 -0.00461 0.02762 0.02297 -0.06528 D22 -3.13612 0.00049 0.00029 0.01665 0.01695 -3.11917 D23 -3.07372 0.00008 0.00367 -0.01490 -0.01119 -3.08491 D24 0.02790 0.00030 -0.00510 0.01994 0.01461 0.04251 D25 0.06673 -0.00038 0.00728 -0.02629 -0.01903 0.04770 D26 -3.11484 -0.00016 -0.00150 0.00856 0.00677 -3.10806 D27 -3.09142 0.00104 0.01403 0.01349 0.02754 -3.06389 D28 0.07249 -0.00100 -0.00379 -0.01729 -0.02103 0.05146 D29 -0.04273 0.00133 0.00910 0.02473 0.03378 -0.00894 D30 3.12119 -0.00071 -0.00872 -0.00605 -0.01478 3.10640 D31 -3.13245 0.00068 0.00563 0.00597 0.01164 -3.12081 D32 -0.03552 0.00071 0.00938 0.00585 0.01529 -0.02023 D33 0.03175 -0.00133 -0.01253 -0.02513 -0.03769 -0.00594 D34 3.12867 -0.00131 -0.00878 -0.02525 -0.03403 3.09464 D35 3.12243 -0.00021 -0.00266 -0.00899 -0.01161 3.11082 D36 -0.03748 -0.00022 -0.00657 -0.00176 -0.00838 -0.04586 D37 0.02684 -0.00038 -0.00662 -0.00907 -0.01570 0.01114 D38 -3.13307 -0.00039 -0.01054 -0.00184 -0.01248 3.13764 D39 -0.04240 0.00021 -0.00230 0.01952 0.01719 -0.02521 D40 -3.14042 -0.00002 0.00729 -0.01771 -0.01066 3.13210 D41 3.11900 0.00024 0.00199 0.01175 0.01378 3.13277 D42 0.02098 0.00002 0.01158 -0.02548 -0.01408 0.00690 D43 -2.92343 -0.00019 -0.00884 0.19819 0.18945 -2.73398 D44 1.20539 0.00113 -0.00161 0.16005 0.15843 1.36382 D45 -0.84203 0.00037 -0.00586 0.18484 0.17884 -0.66318 D46 0.17457 0.00001 -0.01863 0.23597 0.21747 0.39204 D47 -1.97979 0.00134 -0.01139 0.19782 0.18645 -1.79334 D48 2.25597 0.00058 -0.01564 0.22262 0.20686 2.46284 D49 -3.07993 0.00036 -0.01615 0.04462 0.02817 -3.05176 D50 -0.98805 0.00028 -0.01361 0.03761 0.02384 -0.96420 D51 1.04338 -0.00011 -0.01227 0.03558 0.02313 1.06651 D52 -0.89106 -0.00045 -0.01852 0.06725 0.04865 -0.84241 D53 1.20083 -0.00054 -0.01599 0.06025 0.04432 1.24515 D54 -3.05093 -0.00092 -0.01465 0.05821 0.04360 -3.00733 D55 1.14099 0.00088 -0.02012 0.06401 0.04370 1.18469 D56 -3.05031 0.00079 -0.01758 0.05700 0.03937 -3.01094 D57 -1.01888 0.00040 -0.01624 0.05497 0.03865 -0.98023 D58 -2.98838 0.00079 0.02170 -0.00878 0.01272 -2.97566 D59 1.19242 0.00065 0.02619 -0.01264 0.01339 1.20581 D60 -0.83454 0.00073 0.02220 -0.01065 0.01154 -0.82299 D61 1.09309 0.00043 0.01879 -0.03731 -0.01871 1.07437 D62 -1.00929 0.00029 0.02329 -0.04117 -0.01804 -1.02734 D63 -3.03625 0.00037 0.01930 -0.03918 -0.01989 -3.05614 D64 -0.95030 -0.00024 0.02373 -0.03701 -0.01347 -0.96376 D65 -3.05268 -0.00038 0.02823 -0.04088 -0.01279 -3.06547 D66 1.20355 -0.00030 0.02424 -0.03888 -0.01464 1.18890 D67 -0.07809 -0.00008 0.01035 -0.07787 -0.06745 -0.14554 D68 2.04734 0.00014 0.01379 -0.08792 -0.07408 1.97325 D69 -2.21041 0.00031 0.01384 -0.08275 -0.06876 -2.27917 D70 -2.16628 -0.00080 0.00724 -0.08527 -0.07806 -2.24434 D71 -0.04085 -0.00058 0.01068 -0.09532 -0.08470 -0.12555 D72 1.98459 -0.00041 0.01072 -0.09015 -0.07938 1.90521 D73 2.09161 -0.00115 0.00735 -0.09033 -0.08309 2.00851 D74 -2.06615 -0.00093 0.01078 -0.10039 -0.08973 -2.15588 D75 -0.04071 -0.00075 0.01083 -0.09521 -0.08441 -0.12512 D76 0.90249 0.00033 0.00293 0.05755 0.06058 0.96307 D77 3.05391 -0.00021 -0.00116 0.05003 0.04892 3.10283 D78 -1.21266 -0.00010 -0.00254 0.05432 0.05191 -1.16075 D79 -1.22334 -0.00002 -0.00012 0.05994 0.05988 -1.16345 D80 0.92809 -0.00056 -0.00421 0.05242 0.04822 0.97631 D81 2.94470 -0.00045 -0.00559 0.05671 0.05121 2.99592 D82 3.04017 0.00054 0.00119 0.06176 0.06294 3.10311 D83 -1.09159 0.00000 -0.00290 0.05425 0.05128 -1.04031 D84 0.92503 0.00011 -0.00428 0.05854 0.05427 0.97929 D85 -0.70535 -0.00011 -0.00302 -0.02527 -0.02809 -0.73344 D86 1.42842 -0.00001 -0.00812 -0.02642 -0.03448 1.39394 D87 -2.83031 -0.00043 -0.00872 -0.02648 -0.03513 -2.86544 D88 -2.85063 0.00006 -0.00008 -0.01989 -0.01981 -2.87044 D89 -0.71686 0.00016 -0.00517 -0.02104 -0.02620 -0.74306 D90 1.30760 -0.00026 -0.00578 -0.02110 -0.02685 1.28075 D91 1.40891 0.00004 0.00073 -0.02239 -0.02157 1.38733 D92 -2.74051 0.00014 -0.00437 -0.02354 -0.02796 -2.76847 D93 -0.71605 -0.00028 -0.00497 -0.02360 -0.02861 -0.74466 D94 -0.28157 -0.00065 -0.00699 0.01954 0.01241 -0.26916 D95 1.78256 0.00109 -0.00407 0.03408 0.02983 1.81240 D96 -2.45381 0.00118 -0.00138 0.03658 0.03500 -2.41881 D97 -2.41743 -0.00111 -0.00310 0.02387 0.02080 -2.39663 D98 -0.35330 0.00063 -0.00019 0.03840 0.03823 -0.31508 D99 1.69351 0.00072 0.00250 0.04090 0.04339 1.73690 D100 1.83702 -0.00109 -0.00474 0.02102 0.01628 1.85329 D101 -2.38204 0.00065 -0.00183 0.03555 0.03370 -2.34833 D102 -0.33523 0.00074 0.00086 0.03805 0.03887 -0.29636 Item Value Threshold Converged? Maximum Force 0.006082 0.000450 NO RMS Force 0.000989 0.000300 NO Maximum Displacement 0.592281 0.001800 NO RMS Displacement 0.131745 0.001200 NO Predicted change in Energy=-1.366995D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.855647 -4.942684 1.594117 2 6 0 7.204607 -5.485003 2.972118 3 8 0 6.526030 -5.966315 0.699705 4 8 0 2.566135 -1.619722 1.966697 5 6 0 3.462925 -2.401353 1.835814 6 7 0 4.772356 -1.956977 1.783512 7 6 0 5.913355 -2.710462 1.718250 8 8 0 7.004863 -2.215701 1.755811 9 7 0 5.694896 -4.060797 1.640667 10 6 0 4.414730 -4.590465 1.654946 11 6 0 3.306275 -3.858034 1.730636 12 1 0 7.665853 -4.344714 1.211284 13 1 0 7.441190 -4.671368 3.647239 14 1 0 8.072863 -6.134677 2.910378 15 1 0 4.915978 -0.972543 1.872184 16 1 0 4.393313 -5.656317 1.584172 17 6 0 1.890670 -4.382570 1.738090 18 1 0 6.378760 -6.057333 3.380403 19 1 0 7.274730 -6.539783 0.584428 20 6 0 1.757375 -5.847476 2.188680 21 6 0 0.303002 -6.382268 2.059105 22 6 0 -0.703536 -5.284710 1.709388 23 6 0 -0.315201 -4.519411 0.436893 24 6 0 1.199439 -4.202748 0.368277 25 1 0 1.353380 -3.762393 2.448980 26 1 0 2.397220 -6.468013 1.566661 27 1 0 2.119165 -5.952739 3.206735 28 1 0 0.264319 -7.150421 1.291820 29 1 0 0.001828 -6.863121 2.984092 30 1 0 -1.691886 -5.719014 1.593189 31 1 0 -0.777850 -4.590385 2.541328 32 1 0 -0.601484 -5.100739 -0.434746 33 1 0 -0.886648 -3.597959 0.393081 34 1 0 1.681442 -4.879746 -0.334332 35 1 0 1.359257 -3.199040 -0.000598 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521438 0.000000 3 O 1.398728 2.419916 0.000000 4 O 5.438824 6.121005 6.014890 0.000000 5 C 4.245861 4.979987 4.835525 1.196792 0.000000 6 N 3.645602 4.446976 4.508303 2.239354 1.383768 7 C 2.426136 3.307203 3.466032 3.529210 2.472646 8 O 2.735845 3.493943 3.925780 4.483522 3.547702 9 N 1.458504 2.465838 2.281927 3.981744 2.788105 10 C 2.466948 3.212251 2.695002 3.512806 2.393920 11 C 3.713912 4.402874 3.984280 2.369298 1.468850 12 H 1.077294 2.147916 2.047071 5.831240 4.672397 13 H 2.152158 1.083403 3.346993 5.991905 4.925526 14 H 2.152906 1.086165 2.703352 7.183273 6.028591 15 H 4.427375 5.177835 5.376312 2.439167 2.038181 16 H 2.563681 3.139923 2.329563 4.447360 3.394663 17 C 4.998545 5.565619 5.007300 2.853392 2.531158 18 H 2.158861 1.084565 2.686283 6.018893 4.924838 19 H 1.935414 2.611234 0.950108 6.948995 5.763889 20 C 5.211960 5.515206 4.997123 4.310136 3.861240 21 C 6.725010 7.019318 6.383342 5.273723 5.087500 22 C 7.567795 8.010827 7.331485 4.918241 5.068445 23 C 7.275946 7.994202 6.997503 4.364699 4.551636 24 C 5.834627 6.669799 5.620728 3.330890 3.243772 25 H 5.691996 6.121922 5.888424 2.508867 2.584296 26 H 4.712213 5.104174 4.248575 4.867698 4.212587 27 H 5.104411 5.112294 5.070093 4.529074 4.037010 28 H 6.957808 7.332437 6.400136 6.028470 5.751579 29 H 7.252237 7.333443 6.970502 5.924863 5.762387 30 H 8.582715 9.005765 8.270043 5.922368 6.134967 31 H 7.700104 8.043976 7.657116 4.509687 4.824291 32 H 7.729816 8.525810 7.268951 5.283769 5.381594 33 H 7.949459 8.699470 7.787870 4.279183 4.736258 34 H 5.522252 6.465625 5.071479 4.087196 3.745083 35 H 5.982785 6.944839 5.902862 2.796614 2.904158 6 7 8 9 10 6 N 0.000000 7 C 1.368897 0.000000 8 O 2.247619 1.198995 0.000000 9 N 2.301639 1.370090 2.265756 0.000000 10 C 2.660767 2.405056 3.515461 1.385487 0.000000 11 C 2.401292 2.848498 4.046905 2.398899 1.330735 12 H 3.794873 2.449295 2.294802 2.037070 3.290445 13 H 4.238404 3.146494 3.130205 2.729225 3.624256 14 H 5.442090 4.220176 4.222798 3.401157 4.164449 15 H 0.998799 2.009681 2.433603 3.193372 3.658934 16 H 3.724047 3.317614 4.322903 2.059853 1.068414 17 C 3.766919 4.356413 5.554332 3.819053 2.533972 18 H 4.684390 3.765753 4.217753 2.735051 2.997719 19 H 5.357405 4.219312 4.488057 3.123602 3.622906 20 C 4.938648 5.228224 6.396350 4.358510 2.987722 21 C 6.295575 6.713747 7.897291 5.885306 4.503355 22 C 6.408174 7.100006 8.297011 6.514800 5.165423 23 C 5.853434 6.611285 7.786525 6.146598 4.884768 24 C 4.451080 5.125461 6.290990 4.674212 3.484815 25 H 3.923235 4.736444 5.900169 4.426192 3.269260 26 H 5.102718 5.148337 6.272823 4.083482 2.757413 27 H 5.003108 5.208054 6.319863 4.337956 3.087630 28 H 6.894637 7.197686 8.366701 6.257686 4.889903 29 H 6.947631 7.334377 8.494097 6.486049 5.138609 30 H 7.481682 8.179652 9.377264 7.570765 6.210330 31 H 6.189823 6.998842 8.174765 6.556530 5.267691 32 H 6.609241 7.265806 8.424873 6.710679 5.457984 33 H 6.053961 6.984538 8.126722 6.714716 5.539132 34 H 4.752009 5.179573 6.309092 4.547429 3.392901 35 H 4.046605 4.892132 5.993730 4.715309 3.743368 11 12 13 14 15 11 C 0.000000 12 H 4.417296 0.000000 13 H 4.629513 2.468006 0.000000 14 H 5.412509 2.501308 1.755918 0.000000 15 H 3.307149 4.401152 4.817553 6.139331 0.000000 16 H 2.106401 3.545260 3.809976 3.940398 4.721638 17 C 1.509680 5.799285 5.876778 6.531742 4.560565 18 H 4.122961 3.048729 1.766594 1.759798 5.501776 19 H 4.924856 2.316086 3.591587 2.492222 6.181924 20 C 2.562572 6.174440 5.984678 6.363075 5.817380 21 C 3.936915 7.686482 7.510197 7.820275 7.111934 22 C 4.256107 8.436728 8.394523 8.898877 7.085212 23 C 3.902087 8.020438 8.395892 8.893078 6.481170 24 C 2.532510 6.522678 7.066162 7.578825 5.148652 25 H 2.083018 6.458971 6.270844 7.140873 4.561585 26 H 2.768620 5.691501 5.744420 5.842056 6.052906 27 H 2.824161 6.110100 5.491803 5.963845 5.865623 28 H 4.503984 7.915882 7.949917 8.038957 7.755058 29 H 4.639081 8.259692 7.783807 8.104177 7.751394 30 H 5.335143 9.465825 9.419647 9.861951 8.140681 31 H 4.227723 8.551345 8.293504 8.992005 6.779101 32 H 4.637217 8.463442 9.029482 9.354313 7.266795 33 H 4.408775 8.623942 9.005256 9.645961 6.538427 34 H 2.819232 6.203899 7.005071 7.276899 5.531471 35 H 2.687438 6.523373 7.243229 7.884431 4.595091 16 17 18 19 20 16 H 0.000000 17 C 2.812356 0.000000 18 H 2.707260 5.064087 0.000000 19 H 3.175305 5.913764 2.975398 0.000000 20 C 2.711114 1.538423 4.777179 5.787410 0.000000 21 C 4.181292 2.573427 6.226255 7.127725 1.554990 22 C 5.111912 2.746741 7.317661 8.154353 2.569535 23 C 4.977842 2.564704 7.472521 7.855617 3.021272 24 C 3.713771 1.544838 6.271982 6.512880 2.516007 25 H 3.684567 1.085663 5.602566 6.800943 2.139752 26 H 2.154888 2.152916 4.394426 4.975945 1.086911 27 H 2.809328 2.162072 4.264417 5.813859 1.085545 28 H 4.400728 3.241168 6.553123 7.072421 2.175142 29 H 4.764587 3.357585 6.439847 7.665379 2.178569 30 H 6.085529 3.826458 8.273084 9.060433 3.502644 31 H 5.365938 2.794526 7.353438 8.513146 2.851667 32 H 5.415966 3.383462 8.012131 8.071202 3.606133 33 H 5.790814 3.184048 8.231571 8.677501 3.908370 34 H 3.411446 2.141469 6.103340 5.906328 2.703304 35 H 4.213692 2.169373 6.693013 6.818771 3.459139 21 22 23 24 25 21 C 0.000000 22 C 1.529724 0.000000 23 C 2.546366 1.534839 0.000000 24 C 2.900484 2.567204 1.548909 0.000000 25 H 2.849392 2.663709 2.721347 2.132354 0.000000 26 H 2.153044 3.321937 3.525713 2.828821 3.031248 27 H 2.190889 3.264346 3.956335 3.459076 2.440949 28 H 1.086408 2.142892 2.826474 3.227407 3.742166 29 H 1.085139 2.147973 3.475874 3.918462 3.424551 30 H 2.153268 1.085798 2.161325 3.487009 3.719460 31 H 2.147469 1.086155 2.155859 2.963458 2.288283 32 H 2.946134 2.154431 1.086119 2.166693 3.732095 33 H 3.455905 2.147399 1.085147 2.172129 3.044911 34 H 3.144233 3.166845 2.170533 1.088261 3.017105 35 H 3.935859 3.395465 2.176830 1.081221 2.513529 26 27 28 29 30 26 H 0.000000 27 H 1.741455 0.000000 28 H 2.256211 2.922635 0.000000 29 H 2.811250 2.315488 1.736441 0.000000 30 H 4.157221 4.145150 2.442639 2.472298 0.000000 31 H 3.815302 3.269781 3.033343 2.443208 1.734425 32 H 3.855813 4.624740 2.816353 3.893383 2.384064 33 H 4.516446 4.743053 3.840891 4.261925 2.566620 34 H 2.578507 3.725864 3.131864 4.215069 3.974801 35 H 3.770921 4.295032 4.299145 4.916957 4.266133 31 32 33 34 35 31 H 0.000000 32 H 3.024662 0.000000 33 H 2.368905 1.739242 0.000000 34 H 3.794899 2.295794 2.960944 0.000000 35 H 3.600618 2.765763 2.314780 1.743547 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.068732 -1.182647 -0.302570 2 6 0 3.427389 -1.823417 1.029928 3 8 0 2.531247 -2.111789 -1.199369 4 8 0 -0.647917 2.710402 0.479411 5 6 0 0.112657 1.812648 0.260606 6 7 0 1.466630 2.064020 0.125022 7 6 0 2.476806 1.156086 -0.045501 8 8 0 3.629344 1.485374 -0.074046 9 7 0 2.056728 -0.144171 -0.145563 10 6 0 0.716445 -0.482624 -0.052482 11 6 0 -0.264013 0.399365 0.125441 12 1 0 3.930156 -0.694040 -0.726568 13 1 0 3.827082 -1.079796 1.708924 14 1 0 4.184010 -2.589280 0.885935 15 1 0 1.759645 3.012958 0.231129 16 1 0 0.533221 -1.530489 -0.152064 17 6 0 -1.737644 0.085905 0.221816 18 1 0 2.556057 -2.285403 1.481183 19 1 0 3.177481 -2.782868 -1.385759 20 6 0 -2.054429 -1.360667 0.638735 21 6 0 -3.577207 -1.673273 0.601063 22 6 0 -4.432366 -0.428431 0.357900 23 6 0 -4.023424 0.321667 -0.917188 24 6 0 -2.486932 0.417639 -1.087780 25 1 0 -2.127610 0.749156 0.987772 26 1 0 -1.557242 -2.042636 -0.046172 27 1 0 -1.643280 -1.557108 1.624015 28 1 0 -3.781237 -2.397034 -0.183045 29 1 0 -3.881978 -2.141193 1.531489 30 1 0 -5.479584 -0.709837 0.302207 31 1 0 -4.346293 0.236204 1.212642 32 1 0 -4.451339 -0.177376 -1.781769 33 1 0 -4.454320 1.317287 -0.892423 34 1 0 -2.159333 -0.294089 -1.843050 35 1 0 -2.206422 1.401204 -1.438429 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8152043 0.2812008 0.2285966 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1276.8378448893 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.40D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999919 0.012280 0.001777 0.002827 Ang= 1.46 deg. 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) = -798.430220885 A.U. after 13 cycles NFock= 13 Conv=0.59D-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 -0.000226330 -0.000233431 -0.000053099 2 6 0.000354125 -0.000182595 -0.000233260 3 8 0.002901562 -0.001788192 -0.000174430 4 8 0.000458363 0.001315168 -0.000834451 5 6 -0.000049631 -0.000000806 -0.000231017 6 7 0.001019874 -0.000301864 0.000094076 7 6 -0.000595899 0.000380301 0.002955980 8 8 0.000359599 -0.000053255 -0.001343838 9 7 -0.000895449 0.000091424 -0.000965618 10 6 0.001550248 0.000425881 -0.000539750 11 6 -0.000181229 0.001160954 0.001287529 12 1 0.000370612 -0.000316468 -0.000025558 13 1 -0.000029484 0.000086886 -0.000171004 14 1 0.000117536 -0.000130532 0.000131501 15 1 -0.000297504 -0.000485005 -0.000251200 16 1 0.000091377 0.000124021 -0.000200758 17 6 -0.007876115 -0.000779570 0.000295014 18 1 -0.000054873 -0.000028840 -0.000051749 19 1 -0.002386151 0.001847906 0.000456035 20 6 0.000399216 -0.000795941 -0.004474035 21 6 0.001304285 0.001679465 0.000300278 22 6 -0.000587283 0.000637157 0.001186640 23 6 0.001038864 0.000783247 0.001050513 24 6 0.001594872 -0.005262287 0.001878034 25 1 0.001460694 -0.000306180 -0.000263425 26 1 0.000505254 -0.000294540 0.001188555 27 1 -0.000647023 0.000620033 0.000501487 28 1 0.000356176 0.000123417 -0.000355971 29 1 0.000283991 -0.000613204 0.000024946 30 1 -0.000360547 -0.000049799 -0.000354322 31 1 -0.000237839 0.000118489 0.000272444 32 1 0.000088533 0.000075821 -0.000273108 33 1 -0.000366364 -0.000003350 -0.000226749 34 1 0.000677701 0.001054154 -0.000459591 35 1 -0.000141162 0.001101536 -0.000140099 ------------------------------------------------------------------- Cartesian Forces: Max 0.007876115 RMS 0.001313454 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003311482 RMS 0.000658344 Search for a local minimum. Step number 14 out of a maximum of 210 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 13 14 DE= -7.77D-04 DEPred=-1.37D-03 R= 5.69D-01 TightC=F SS= 1.41D+00 RLast= 5.90D-01 DXNew= 5.0454D+00 1.7700D+00 Trust test= 5.69D-01 RLast= 5.90D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00201 0.00270 0.00442 0.00491 0.00512 Eigenvalues --- 0.00796 0.01421 0.01457 0.01460 0.01757 Eigenvalues --- 0.01864 0.01919 0.01937 0.02031 0.02162 Eigenvalues --- 0.02443 0.02609 0.03136 0.03392 0.03495 Eigenvalues --- 0.03558 0.04216 0.04608 0.04707 0.04831 Eigenvalues --- 0.05117 0.05203 0.05271 0.05368 0.05631 Eigenvalues --- 0.05676 0.05731 0.06207 0.06562 0.08190 Eigenvalues --- 0.08240 0.08258 0.08286 0.08404 0.08430 Eigenvalues --- 0.08753 0.09863 0.12169 0.12178 0.15491 Eigenvalues --- 0.15948 0.15970 0.16011 0.16062 0.16091 Eigenvalues --- 0.16224 0.18322 0.19205 0.19526 0.20532 Eigenvalues --- 0.20759 0.22679 0.23863 0.24968 0.25011 Eigenvalues --- 0.25174 0.25379 0.26350 0.27040 0.27171 Eigenvalues --- 0.28428 0.28483 0.29126 0.29950 0.30185 Eigenvalues --- 0.32380 0.34560 0.34691 0.34749 0.34788 Eigenvalues --- 0.34792 0.34799 0.34809 0.34816 0.34825 Eigenvalues --- 0.34837 0.34857 0.34891 0.34941 0.34963 Eigenvalues --- 0.35114 0.36200 0.36406 0.37795 0.42901 Eigenvalues --- 0.43393 0.45119 0.47659 0.49612 0.51218 Eigenvalues --- 0.56562 0.60620 0.87525 0.96581 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 RFO step: Lambda=-7.57141358D-04. DidBck=F Rises=F RFO-DIIS coefs: 0.94157 0.05843 Iteration 1 RMS(Cart)= 0.03529051 RMS(Int)= 0.00044294 Iteration 2 RMS(Cart)= 0.00065520 RMS(Int)= 0.00004121 Iteration 3 RMS(Cart)= 0.00000013 RMS(Int)= 0.00004121 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87510 -0.00011 -0.00008 0.00023 0.00015 2.87525 R2 2.64321 -0.00035 -0.00002 -0.00161 -0.00162 2.64159 R3 2.75617 0.00129 0.00050 0.00098 0.00147 2.75764 R4 2.03579 0.00011 0.00010 -0.00039 -0.00029 2.03551 R5 2.04733 -0.00005 -0.00001 -0.00012 -0.00014 2.04720 R6 2.05256 0.00016 0.00005 0.00021 0.00026 2.05281 R7 2.04953 0.00004 0.00000 0.00013 0.00013 2.04966 R8 1.79544 -0.00305 -0.00090 -0.00180 -0.00270 1.79275 R9 2.26161 0.00042 0.00004 0.00005 0.00009 2.26170 R10 2.61494 0.00061 0.00009 0.00203 0.00212 2.61706 R11 2.77572 0.00131 0.00005 0.00160 0.00164 2.77736 R12 2.58684 -0.00046 -0.00002 -0.00173 -0.00176 2.58508 R13 1.88746 -0.00054 -0.00021 -0.00069 -0.00089 1.88657 R14 2.26577 0.00026 0.00003 0.00009 0.00012 2.26589 R15 2.58910 -0.00036 -0.00011 0.00085 0.00074 2.58984 R16 2.61819 -0.00044 -0.00010 -0.00150 -0.00160 2.61660 R17 2.51473 0.00165 0.00016 0.00282 0.00298 2.51771 R18 2.01901 -0.00011 0.00002 -0.00118 -0.00116 2.01785 R19 2.85288 0.00302 0.00136 0.00659 0.00794 2.86083 R20 2.90720 -0.00139 -0.00030 -0.00639 -0.00668 2.90052 R21 2.91932 -0.00291 -0.00053 -0.01393 -0.01447 2.90486 R22 2.05161 -0.00107 -0.00023 -0.00124 -0.00147 2.05014 R23 2.93850 -0.00166 -0.00047 -0.00508 -0.00554 2.93296 R24 2.05396 -0.00021 -0.00011 -0.00034 -0.00044 2.05352 R25 2.05138 0.00019 0.00012 0.00010 0.00022 2.05160 R26 2.89076 0.00029 0.00043 -0.00028 0.00014 2.89090 R27 2.05301 0.00015 0.00004 0.00039 0.00043 2.05344 R28 2.05062 0.00021 0.00003 0.00030 0.00033 2.05095 R29 2.90043 -0.00019 0.00028 -0.00025 0.00001 2.90044 R30 2.05186 0.00039 0.00004 0.00062 0.00066 2.05252 R31 2.05254 0.00030 -0.00003 0.00140 0.00137 2.05390 R32 2.92701 -0.00058 -0.00048 -0.00198 -0.00247 2.92454 R33 2.05247 0.00016 0.00010 0.00010 0.00019 2.05266 R34 2.05063 0.00020 -0.00003 0.00064 0.00061 2.05124 R35 2.05651 -0.00006 0.00019 0.00138 0.00157 2.05808 R36 2.04321 0.00105 -0.00025 0.00293 0.00268 2.04589 A1 1.95234 -0.00032 -0.00019 -0.00064 -0.00082 1.95151 A2 1.94890 0.00014 0.00012 0.00099 0.00111 1.95001 A3 1.92540 -0.00017 -0.00039 -0.00058 -0.00096 1.92444 A4 1.84977 0.00034 0.00088 -0.00160 -0.00072 1.84905 A5 1.93500 -0.00007 -0.00040 0.00017 -0.00023 1.93477 A6 1.84862 0.00012 0.00002 0.00178 0.00179 1.85041 A7 1.92494 -0.00030 -0.00017 -0.00093 -0.00111 1.92384 A8 1.92311 0.00028 0.00014 0.00090 0.00105 1.92416 A9 1.93308 -0.00009 -0.00015 0.00060 0.00044 1.93352 A10 1.88605 0.00002 0.00004 -0.00022 -0.00018 1.88587 A11 1.90498 0.00015 0.00009 0.00015 0.00024 1.90522 A12 1.89067 -0.00006 0.00006 -0.00051 -0.00044 1.89023 A13 1.91092 -0.00012 0.00012 -0.00021 -0.00009 1.91083 A14 2.09841 -0.00126 -0.00019 -0.00342 -0.00360 2.09481 A15 2.18415 0.00163 0.00035 0.00415 0.00451 2.18865 A16 2.00059 -0.00037 -0.00015 -0.00073 -0.00091 1.99969 A17 2.23163 0.00092 0.00015 0.00377 0.00385 2.23548 A18 2.03670 -0.00065 -0.00028 -0.00220 -0.00252 2.03418 A19 2.01185 -0.00024 0.00011 -0.00015 -0.00008 2.01177 A20 2.12959 0.00037 0.00025 0.00047 0.00070 2.13029 A21 1.99576 -0.00009 0.00001 -0.00165 -0.00167 1.99409 A22 2.15751 -0.00026 -0.00025 0.00151 0.00125 2.15876 A23 2.06104 -0.00007 -0.00031 0.00208 0.00178 2.06282 A24 2.09963 0.00036 0.00050 -0.00091 -0.00041 2.09922 A25 2.12178 -0.00029 -0.00020 -0.00125 -0.00147 2.12032 A26 2.16496 0.00118 0.00031 0.00434 0.00463 2.16959 A27 1.98146 -0.00068 0.00006 -0.00466 -0.00459 1.97688 A28 2.13666 -0.00050 -0.00037 0.00031 -0.00006 2.13661 A29 2.05000 -0.00135 -0.00020 -0.00343 -0.00376 2.04624 A30 2.03110 0.00331 0.00094 0.00628 0.00713 2.03823 A31 2.20199 -0.00195 -0.00078 -0.00246 -0.00334 2.19865 A32 1.99713 -0.00060 -0.00100 -0.00430 -0.00546 1.99167 A33 1.95491 -0.00015 0.00018 -0.01127 -0.01115 1.94376 A34 1.84296 -0.00005 0.00097 -0.00202 -0.00098 1.84198 A35 1.90898 -0.00020 -0.00086 -0.00753 -0.00857 1.90042 A36 1.88523 0.00058 0.00044 0.01211 0.01258 1.89781 A37 1.86782 0.00055 0.00043 0.01596 0.01642 1.88424 A38 1.96505 -0.00021 0.00025 -0.00608 -0.00592 1.95913 A39 1.90182 0.00018 -0.00093 0.01240 0.01148 1.91331 A40 1.91573 0.00004 0.00116 -0.01133 -0.01024 1.90549 A41 1.88237 0.00055 0.00058 0.00873 0.00930 1.89166 A42 1.93533 -0.00041 -0.00103 -0.00339 -0.00450 1.93083 A43 1.85995 -0.00013 -0.00005 0.00082 0.00081 1.86077 A44 1.96894 0.00038 0.00030 -0.00063 -0.00036 1.96858 A45 1.91275 -0.00050 -0.00039 -0.00188 -0.00227 1.91047 A46 1.91873 -0.00011 -0.00021 0.00080 0.00061 1.91934 A47 1.89908 0.00029 0.00036 -0.00026 0.00011 1.89918 A48 1.90730 -0.00012 -0.00010 0.00297 0.00287 1.91017 A49 1.85337 0.00005 0.00003 -0.00103 -0.00100 1.85237 A50 1.96147 -0.00136 0.00062 -0.01309 -0.01253 1.94893 A51 1.91390 0.00058 -0.00011 0.00231 0.00217 1.91607 A52 1.90558 0.00040 -0.00032 0.00561 0.00532 1.91091 A53 1.91880 0.00017 0.00026 -0.00335 -0.00309 1.91571 A54 1.91091 0.00051 -0.00054 0.00743 0.00692 1.91783 A55 1.84978 -0.00023 0.00005 0.00208 0.00212 1.85190 A56 1.96718 0.00014 0.00019 -0.00122 -0.00113 1.96604 A57 1.90899 0.00018 0.00025 0.00209 0.00239 1.91138 A58 1.90037 -0.00016 -0.00006 -0.00004 -0.00009 1.90028 A59 1.90882 -0.00032 0.00005 -0.00217 -0.00210 1.90672 A60 1.91725 0.00024 -0.00039 0.00356 0.00320 1.92046 A61 1.85802 -0.00009 -0.00006 -0.00227 -0.00234 1.85568 A62 1.95462 -0.00011 0.00009 -0.00783 -0.00796 1.94665 A63 1.87747 0.00009 -0.00118 0.01341 0.01223 1.88970 A64 1.92243 -0.00005 0.00143 -0.01044 -0.00909 1.91334 A65 1.91190 0.00078 0.00061 0.01585 0.01650 1.92840 A66 1.92777 -0.00043 -0.00081 -0.00673 -0.00763 1.92014 A67 1.86687 -0.00027 -0.00015 -0.00326 -0.00336 1.86351 D1 -3.12715 -0.00022 -0.00059 0.00009 -0.00050 -3.12765 D2 1.07528 -0.00024 -0.00062 0.00038 -0.00024 1.07504 D3 -1.01638 -0.00029 -0.00070 0.00005 -0.00065 -1.01703 D4 -1.05728 0.00009 0.00048 -0.00170 -0.00122 -1.05850 D5 -3.13804 0.00008 0.00045 -0.00141 -0.00096 -3.13899 D6 1.05349 0.00002 0.00038 -0.00174 -0.00137 1.05212 D7 0.99349 0.00021 0.00033 0.00075 0.00108 0.99457 D8 -1.08727 0.00020 0.00030 0.00105 0.00135 -1.08592 D9 3.10426 0.00015 0.00023 0.00071 0.00094 3.10520 D10 -1.08280 0.00026 0.00043 0.00249 0.00292 -1.07988 D11 3.07255 0.00006 -0.00018 0.00269 0.00251 3.07506 D12 1.07435 -0.00023 -0.00049 0.00140 0.00091 1.07526 D13 1.68034 -0.00002 -0.00055 -0.01018 -0.01074 1.66960 D14 -1.42078 -0.00000 -0.00032 -0.00780 -0.00812 -1.42889 D15 -2.47281 -0.00011 -0.00014 -0.01142 -0.01156 -2.48437 D16 0.70926 -0.00009 0.00009 -0.00904 -0.00894 0.70032 D17 -0.41612 0.00003 -0.00016 -0.01114 -0.01131 -0.42744 D18 2.76595 0.00005 0.00007 -0.00876 -0.00869 2.75726 D19 3.06781 0.00042 -0.00091 0.02102 0.02018 3.08799 D20 0.01392 0.00010 -0.00056 0.00023 -0.00028 0.01365 D21 -0.06528 0.00007 -0.00134 0.02179 0.02049 -0.04479 D22 -3.11917 -0.00025 -0.00099 0.00100 0.00003 -3.11914 D23 -3.08491 -0.00083 0.00065 -0.02634 -0.02566 -3.11057 D24 0.04251 -0.00036 -0.00085 0.00128 0.00052 0.04303 D25 0.04770 -0.00047 0.00111 -0.02720 -0.02604 0.02166 D26 -3.10806 -0.00000 -0.00040 0.00042 0.00014 -3.10792 D27 -3.06389 -0.00074 -0.00161 -0.01695 -0.01857 -3.08246 D28 0.05146 0.00039 0.00123 -0.00332 -0.00209 0.04937 D29 -0.00894 -0.00044 -0.00197 0.00349 0.00155 -0.00739 D30 3.10640 0.00069 0.00086 0.01713 0.01803 3.12444 D31 -3.12081 -0.00048 -0.00068 -0.00784 -0.00852 -3.12933 D32 -0.02023 -0.00048 -0.00089 -0.01024 -0.01115 -0.03138 D33 -0.00594 0.00068 0.00220 0.00603 0.00825 0.00231 D34 3.09464 0.00068 0.00199 0.00363 0.00562 3.10026 D35 3.11082 0.00016 0.00068 0.00081 0.00149 3.11231 D36 -0.04586 0.00002 0.00049 0.00016 0.00068 -0.04518 D37 0.01114 0.00018 0.00092 0.00320 0.00412 0.01526 D38 3.13764 0.00003 0.00073 0.00255 0.00332 3.14096 D39 -0.02521 0.00032 -0.00100 0.01651 0.01551 -0.00970 D40 3.13210 -0.00025 0.00062 -0.01422 -0.01346 3.11864 D41 3.13277 0.00048 -0.00080 0.01726 0.01642 -3.13399 D42 0.00690 -0.00009 0.00082 -0.01348 -0.01255 -0.00565 D43 -2.73398 -0.00089 -0.01107 -0.05608 -0.06716 -2.80114 D44 1.36382 -0.00000 -0.00926 -0.03280 -0.04209 1.32174 D45 -0.66318 -0.00055 -0.01045 -0.04491 -0.05538 -0.71857 D46 0.39204 -0.00037 -0.01271 -0.02572 -0.03840 0.35364 D47 -1.79334 0.00053 -0.01089 -0.00244 -0.01332 -1.80666 D48 2.46284 -0.00002 -0.01209 -0.01455 -0.02662 2.43622 D49 -3.05176 -0.00018 -0.00165 0.02094 0.01933 -3.03243 D50 -0.96420 0.00050 -0.00139 0.03641 0.03502 -0.92918 D51 1.06651 0.00048 -0.00135 0.03811 0.03672 1.10323 D52 -0.84241 -0.00101 -0.00284 -0.00377 -0.00655 -0.84896 D53 1.24515 -0.00033 -0.00259 0.01170 0.00914 1.25429 D54 -3.00733 -0.00035 -0.00255 0.01340 0.01085 -2.99648 D55 1.18469 -0.00015 -0.00255 0.01783 0.01532 1.20001 D56 -3.01094 0.00054 -0.00230 0.03330 0.03102 -2.97993 D57 -0.98023 0.00051 -0.00226 0.03501 0.03272 -0.94751 D58 -2.97566 0.00012 -0.00074 0.01224 0.01153 -2.96413 D59 1.20581 -0.00084 -0.00078 -0.01139 -0.01212 1.19369 D60 -0.82299 -0.00054 -0.00067 -0.00951 -0.01010 -0.83310 D61 1.07437 0.00119 0.00109 0.03242 0.03346 1.10784 D62 -1.02734 0.00022 0.00105 0.00879 0.00981 -1.01753 D63 -3.05614 0.00052 0.00116 0.01067 0.01183 -3.04432 D64 -0.96376 0.00030 0.00079 0.01329 0.01404 -0.94972 D65 -3.06547 -0.00066 0.00075 -0.01035 -0.00961 -3.07509 D66 1.18890 -0.00036 0.00086 -0.00847 -0.00760 1.18131 D67 -0.14554 -0.00017 0.00394 -0.02343 -0.01950 -0.16503 D68 1.97325 0.00010 0.00433 -0.02552 -0.02121 1.95204 D69 -2.27917 -0.00020 0.00402 -0.02739 -0.02339 -2.30256 D70 -2.24434 -0.00064 0.00456 -0.04098 -0.03642 -2.28076 D71 -0.12555 -0.00037 0.00495 -0.04308 -0.03813 -0.16368 D72 1.90521 -0.00067 0.00464 -0.04495 -0.04031 1.86490 D73 2.00851 -0.00058 0.00485 -0.04522 -0.04035 1.96817 D74 -2.15588 -0.00031 0.00524 -0.04732 -0.04206 -2.19795 D75 -0.12512 -0.00061 0.00493 -0.04919 -0.04424 -0.16936 D76 0.96307 -0.00000 -0.00354 0.02026 0.01669 0.97976 D77 3.10283 -0.00031 -0.00286 0.00864 0.00575 3.10858 D78 -1.16075 -0.00002 -0.00303 0.01559 0.01255 -1.14820 D79 -1.16345 0.00018 -0.00350 0.02325 0.01974 -1.14372 D80 0.97631 -0.00013 -0.00282 0.01162 0.00880 0.98511 D81 2.99592 0.00016 -0.00299 0.01858 0.01560 3.01152 D82 3.10311 0.00003 -0.00368 0.02301 0.01931 3.12241 D83 -1.04031 -0.00028 -0.00300 0.01138 0.00837 -1.03194 D84 0.97929 0.00000 -0.00317 0.01833 0.01517 0.99446 D85 -0.73344 0.00019 0.00164 0.00839 0.01006 -0.72339 D86 1.39394 -0.00000 0.00201 0.00628 0.00832 1.40225 D87 -2.86544 -0.00010 0.00205 0.00470 0.00679 -2.85864 D88 -2.87044 0.00026 0.00116 0.01688 0.01802 -2.85242 D89 -0.74306 0.00007 0.00153 0.01477 0.01628 -0.72679 D90 1.28075 -0.00003 0.00157 0.01319 0.01476 1.29550 D91 1.38733 0.00014 0.00126 0.01199 0.01324 1.40057 D92 -2.76847 -0.00005 0.00163 0.00988 0.01150 -2.75698 D93 -0.74466 -0.00015 0.00167 0.00830 0.00997 -0.73469 D94 -0.26916 -0.00028 -0.00072 -0.02879 -0.02947 -0.29863 D95 1.81240 0.00028 -0.00174 -0.00649 -0.00821 1.80419 D96 -2.41881 0.00017 -0.00204 -0.00487 -0.00693 -2.42574 D97 -2.39663 -0.00038 -0.00122 -0.02909 -0.03027 -2.42691 D98 -0.31508 0.00018 -0.00223 -0.00679 -0.00901 -0.32409 D99 1.73690 0.00007 -0.00254 -0.00517 -0.00772 1.72917 D100 1.85329 -0.00022 -0.00095 -0.02714 -0.02807 1.82523 D101 -2.34833 0.00034 -0.00197 -0.00484 -0.00680 -2.35514 D102 -0.29636 0.00023 -0.00227 -0.00322 -0.00552 -0.30188 Item Value Threshold Converged? Maximum Force 0.003311 0.000450 NO RMS Force 0.000658 0.000300 NO Maximum Displacement 0.155256 0.001800 NO RMS Displacement 0.035268 0.001200 NO Predicted change in Energy=-3.937649D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.845339 -4.954389 1.602696 2 6 0 7.211041 -5.467826 2.987491 3 8 0 6.498444 -5.996002 0.737395 4 8 0 2.568668 -1.601715 1.902559 5 6 0 3.459739 -2.394913 1.806359 6 7 0 4.772987 -1.958611 1.752132 7 6 0 5.911882 -2.714687 1.701113 8 8 0 7.004582 -2.221225 1.716565 9 7 0 5.688638 -4.065664 1.644123 10 6 0 4.407091 -4.588899 1.677229 11 6 0 3.297723 -3.854514 1.748197 12 1 0 7.654087 -4.370926 1.195588 13 1 0 7.461435 -4.639975 3.639850 14 1 0 8.075021 -6.123714 2.929178 15 1 0 4.918337 -0.972588 1.809498 16 1 0 4.385347 -5.655175 1.624494 17 6 0 1.879634 -4.384385 1.758426 18 1 0 6.388181 -6.026141 3.420644 19 1 0 7.240837 -6.576251 0.627119 20 6 0 1.764283 -5.859430 2.166869 21 6 0 0.317536 -6.400174 2.013900 22 6 0 -0.699346 -5.296473 1.717113 23 6 0 -0.316161 -4.494491 0.465814 24 6 0 1.199751 -4.191467 0.393335 25 1 0 1.348423 -3.778965 2.485239 26 1 0 2.422777 -6.462254 1.547310 27 1 0 2.109361 -5.974250 3.189805 28 1 0 0.287054 -7.130274 1.209662 29 1 0 0.022911 -6.930403 2.913877 30 1 0 -1.686144 -5.731165 1.586782 31 1 0 -0.773420 -4.631792 2.573859 32 1 0 -0.614402 -5.043726 -0.422596 33 1 0 -0.881493 -3.567913 0.455760 34 1 0 1.685925 -4.848755 -0.326198 35 1 0 1.358931 -3.177866 0.047814 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521517 0.000000 3 O 1.397869 2.418615 0.000000 4 O 5.442450 6.138038 6.009202 0.000000 5 C 4.249081 4.991005 4.831590 1.196840 0.000000 6 N 3.645774 4.448012 4.506376 2.238085 1.384890 7 C 2.428435 3.304899 3.469847 3.529358 2.475144 8 O 2.740166 3.492606 3.932416 4.482824 3.550231 9 N 1.459283 2.467469 2.281260 3.983974 2.790290 10 C 2.466616 3.217365 2.690165 3.514804 2.393267 11 C 3.717053 4.410520 3.981496 2.372858 1.469717 12 H 1.077143 2.147183 2.046050 5.833509 4.676561 13 H 2.151378 1.083331 3.345206 6.015677 4.941210 14 H 2.153832 1.086302 2.702927 7.198774 6.038668 15 H 4.428414 5.181826 5.374089 2.434215 2.037284 16 H 2.557956 3.142834 2.316957 4.450639 3.393985 17 C 5.000739 5.577486 4.997322 2.870331 2.541069 18 H 2.159301 1.084636 2.685682 6.038941 4.936345 19 H 1.933547 2.607844 0.948681 6.942760 5.759418 20 C 5.191775 5.522132 4.947154 4.341087 3.873941 21 C 6.698627 7.024070 6.324275 5.301435 5.094962 22 C 7.553304 8.013579 7.297765 4.936148 5.071983 23 C 7.265748 7.997812 6.983347 4.330662 4.523573 24 C 5.823853 6.670408 5.608108 3.295225 3.214311 25 H 5.690044 6.121666 5.873069 2.562993 2.614218 26 H 4.672877 5.098086 4.181437 4.875687 4.205432 27 H 5.097894 5.130744 5.027807 4.581160 4.068058 28 H 6.920987 7.339346 6.331743 6.020867 5.731110 29 H 7.222836 7.335787 6.895122 5.991542 5.797332 30 H 8.566787 9.010618 8.232805 5.937634 6.136685 31 H 7.687179 8.038760 7.623233 4.560874 4.848951 32 H 7.730299 8.546702 7.269456 5.233137 5.346315 33 H 7.933581 8.689559 7.774214 4.226438 4.695354 34 H 5.509206 6.472302 5.060410 4.036070 3.703453 35 H 5.972802 6.937781 5.901865 2.718050 2.849367 6 7 8 9 10 6 N 0.000000 7 C 1.367968 0.000000 8 O 2.247275 1.199056 0.000000 9 N 2.299947 1.370483 2.266917 0.000000 10 C 2.656673 2.403672 3.514881 1.384643 0.000000 11 C 2.402263 2.852236 4.050856 2.402476 1.332312 12 H 3.798651 2.456413 2.305318 2.038960 3.289753 13 H 4.240395 3.141107 3.123795 2.730489 3.630910 14 H 5.443983 4.220045 4.224416 3.403198 4.168542 15 H 0.998328 2.008429 2.433135 3.191839 3.654665 16 H 3.719025 3.314008 4.319824 2.055602 1.067800 17 C 3.775700 4.364654 5.562922 3.824025 2.537018 18 H 4.683758 3.761566 4.214406 2.736577 3.004975 19 H 5.355235 4.222708 4.495438 3.121965 3.616962 20 C 4.943753 5.225793 6.395314 4.346427 2.972949 21 C 6.296591 6.706516 7.891046 5.868170 4.485368 22 C 6.410069 7.097480 8.295038 6.505887 5.155381 23 C 5.829643 6.594102 7.766942 6.134323 4.877043 24 C 4.427188 5.108360 6.271272 4.661588 3.477551 25 H 3.946995 4.751074 5.916887 4.430253 3.265628 26 H 5.084116 5.122672 6.245631 4.052020 2.732002 27 H 5.028634 5.224952 6.341831 4.340859 3.080040 28 H 6.867603 7.167818 8.335520 6.225568 4.863322 29 H 6.973636 7.343231 8.506095 6.474525 5.121814 30 H 7.481970 8.175708 9.373646 7.560727 6.200037 31 H 6.211583 7.009297 8.187985 6.553099 5.257706 32 H 6.578095 7.247547 8.401871 6.704942 5.461824 33 H 6.020264 6.959083 8.098973 6.695266 5.522999 34 H 4.711936 5.150044 6.274146 4.529582 3.389099 35 H 4.005878 4.865932 5.964333 4.699229 3.733267 11 12 13 14 15 11 C 0.000000 12 H 4.421534 0.000000 13 H 4.640237 2.466561 0.000000 14 H 5.419093 2.500957 1.755854 0.000000 15 H 3.306909 4.405669 4.823616 6.144301 0.000000 16 H 2.107275 3.538066 3.815050 3.941500 4.716453 17 C 1.513884 5.801834 5.895896 6.540546 4.569101 18 H 4.130856 3.048463 1.766743 1.759684 5.504056 19 H 4.920652 2.314604 3.588088 2.490005 6.180054 20 C 2.558596 6.152139 6.009516 6.362104 5.827263 21 C 3.928422 7.655877 7.535072 7.816184 7.118135 22 C 4.249326 8.420717 8.409891 8.896233 7.089633 23 C 3.887703 8.004542 8.401587 8.895755 6.450524 24 C 2.520054 6.506478 7.067510 7.578483 5.118064 25 H 2.085356 6.463360 6.280397 7.137370 4.590933 26 H 2.757932 5.644817 5.752173 5.828553 6.035975 27 H 2.825547 6.106679 5.534214 5.973221 5.900188 28 H 4.481601 7.866852 7.973653 8.038801 7.728239 29 H 4.641584 8.230327 7.816952 8.092432 7.789764 30 H 5.327926 9.446861 9.438431 9.860855 8.143269 31 H 4.226119 8.543451 8.303568 8.980367 6.809561 32 H 4.629394 8.452164 9.049068 9.375864 7.222715 33 H 4.383877 8.605132 8.994009 9.636859 6.496641 34 H 2.808829 6.177630 7.009254 7.283100 5.480361 35 H 2.666096 6.509206 7.230563 7.879476 4.542703 16 17 18 19 20 16 H 0.000000 17 C 2.812729 0.000000 18 H 2.715716 5.077925 0.000000 19 H 3.161797 5.901409 2.972107 0.000000 20 C 2.684375 1.534891 4.793764 5.733873 0.000000 21 C 4.153763 2.562971 6.242721 7.063021 1.552057 22 C 5.098172 2.735827 7.325809 8.116183 2.566841 23 C 4.979348 2.550389 7.484996 7.840151 3.014116 24 C 3.715671 1.537183 6.280958 6.498966 2.499244 25 H 3.672051 1.084885 5.596780 6.782180 2.145375 26 H 2.123444 2.158034 4.407267 4.906470 1.086676 27 H 2.780669 2.151578 4.285356 5.767305 1.085661 28 H 4.375386 3.221391 6.582651 7.000099 2.171059 29 H 4.724359 3.356292 6.449121 7.579785 2.176553 30 H 6.072084 3.815501 8.285215 9.018099 3.501200 31 H 5.344294 2.786545 7.345051 8.473431 2.848275 32 H 5.437089 3.378136 8.048093 8.071884 3.609550 33 H 5.784652 3.160283 8.226881 8.663238 3.896033 34 H 3.426718 2.144487 6.126686 5.894922 2.691281 35 H 4.216891 2.157084 6.691936 6.817729 3.441728 21 22 23 24 25 21 C 0.000000 22 C 1.529800 0.000000 23 C 2.535699 1.534847 0.000000 24 C 2.878007 2.565151 1.547600 0.000000 25 H 2.855806 2.661994 2.713097 2.137364 0.000000 26 H 2.157221 3.336994 3.541681 2.825583 3.038748 27 H 2.185132 3.242999 3.936111 3.438888 2.427904 28 H 1.086634 2.143203 2.804377 3.183707 3.739636 29 H 1.085314 2.150262 3.470108 3.903826 3.445617 30 H 2.155165 1.086145 2.159348 3.481864 3.718455 31 H 2.151956 1.086877 2.161433 2.973546 2.288533 32 H 2.940234 2.156259 1.086222 2.164079 3.729317 33 H 3.447778 2.147582 1.085471 2.173544 3.022557 34 H 3.123372 3.172553 2.182002 1.089091 3.026969 35 H 3.915771 3.392869 2.171211 1.082640 2.510472 26 27 28 29 30 26 H 0.000000 27 H 1.741887 0.000000 28 H 2.263088 2.928850 0.000000 29 H 2.801077 2.311632 1.736108 0.000000 30 H 4.173641 4.127303 2.448109 2.473908 0.000000 31 H 3.823620 3.239137 3.037771 2.456291 1.736665 32 H 3.888085 4.618896 2.798316 3.885586 2.378824 33 H 4.526244 4.712819 3.824171 4.262232 2.570278 34 H 2.579993 3.715955 3.085618 4.194874 3.976052 35 H 3.763968 4.272589 4.256799 4.907219 4.261483 31 32 33 34 35 31 H 0.000000 32 H 3.028815 0.000000 33 H 2.372733 1.738064 0.000000 34 H 3.808646 2.310586 2.973827 0.000000 35 H 3.611333 2.756222 2.310423 1.743181 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.060335 -1.187196 -0.306380 2 6 0 3.441043 -1.818904 1.024416 3 8 0 2.505272 -2.121914 -1.185157 4 8 0 -0.645876 2.725052 0.454265 5 6 0 0.110095 1.818120 0.258282 6 7 0 1.466340 2.063434 0.122860 7 6 0 2.475416 1.155243 -0.045336 8 8 0 3.627246 1.485123 -0.092290 9 7 0 2.052536 -0.144857 -0.140923 10 6 0 0.713331 -0.479544 -0.032528 11 6 0 -0.268427 0.401935 0.152413 12 1 0 3.916115 -0.705680 -0.749121 13 1 0 3.854785 -1.070543 1.689533 14 1 0 4.193085 -2.588207 0.873890 15 1 0 1.758717 3.014034 0.209669 16 1 0 0.531437 -1.527454 -0.127387 17 6 0 -1.744912 0.081493 0.248077 18 1 0 2.576829 -2.274890 1.495210 19 1 0 3.144885 -2.796303 -1.375132 20 6 0 -2.047524 -1.380837 0.602909 21 6 0 -3.565126 -1.699452 0.537702 22 6 0 -4.426639 -0.447222 0.364485 23 6 0 -4.016774 0.355133 -0.878089 24 6 0 -2.481410 0.440561 -1.052528 25 1 0 -2.129985 0.718471 1.037350 26 1 0 -1.529089 -2.039094 -0.089036 27 1 0 -1.653464 -1.596892 1.591190 28 1 0 -3.757957 -2.374935 -0.291341 29 1 0 -3.871837 -2.227762 1.434765 30 1 0 -5.473240 -0.728284 0.291397 31 1 0 -4.342979 0.175911 1.251056 32 1 0 -4.453010 -0.098775 -1.763270 33 1 0 -4.439031 1.352584 -0.807116 34 1 0 -2.147904 -0.241583 -1.833279 35 1 0 -2.199078 1.437303 -1.367016 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8146402 0.2827640 0.2286422 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.8066778105 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.40D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.002590 -0.000442 0.000052 Ang= -0.30 deg. 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) = -798.430544014 A.U. after 12 cycles NFock= 12 Conv=0.70D-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 -0.000344723 -0.000081782 0.000430210 2 6 0.000253939 0.000010225 -0.000042135 3 8 0.001636405 -0.001244928 -0.000489152 4 8 -0.000080269 0.000478927 -0.000503050 5 6 0.000452133 -0.000411493 0.000775819 6 7 0.000158724 -0.000302661 0.000532965 7 6 -0.000322656 -0.000015130 0.000006795 8 8 0.000349106 -0.000514825 -0.000176491 9 7 -0.000405541 0.000808353 0.000063179 10 6 0.000192797 0.000526504 0.000074338 11 6 0.001016444 0.000720363 0.000016034 12 1 0.000331359 0.000091542 -0.000126369 13 1 -0.000013246 0.000059066 -0.000034035 14 1 0.000070507 -0.000021782 -0.000005739 15 1 -0.000200946 -0.000022810 -0.000150732 16 1 -0.000224660 -0.000138493 0.000009179 17 6 0.001356054 -0.001440606 -0.001885157 18 1 -0.000074000 0.000046937 -0.000112771 19 1 -0.001135244 0.000864811 0.000214149 20 6 -0.000250218 0.000192014 0.001266725 21 6 0.000169771 -0.000199127 0.000674695 22 6 -0.000327660 -0.000636225 -0.000295311 23 6 0.000107158 0.000641444 -0.000365375 24 6 -0.001281854 0.001964473 0.000090309 25 1 -0.000100901 -0.000541329 -0.000525402 26 1 -0.000334608 0.000316488 0.000573226 27 1 -0.000240396 -0.000590772 0.000607520 28 1 -0.000185617 0.000321824 -0.000406690 29 1 0.000416313 -0.000609945 -0.000036417 30 1 -0.000092695 -0.000062444 0.000197868 31 1 0.000038733 -0.000213546 -0.000330293 32 1 -0.000331124 -0.000320497 0.000086189 33 1 0.000324564 0.000197971 -0.000300885 34 1 -0.000439173 0.000239311 0.001027738 35 1 -0.000488477 -0.000111857 -0.000860935 ------------------------------------------------------------------- Cartesian Forces: Max 0.001964473 RMS 0.000572181 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001850318 RMS 0.000384935 Search for a local minimum. Step number 15 out of a maximum of 210 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 DE= -3.23D-04 DEPred=-3.94D-04 R= 8.21D-01 TightC=F SS= 1.41D+00 RLast= 2.09D-01 DXNew= 5.0454D+00 6.2776D-01 Trust test= 8.21D-01 RLast= 2.09D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00178 0.00267 0.00442 0.00498 0.00513 Eigenvalues --- 0.00766 0.01454 0.01456 0.01497 0.01679 Eigenvalues --- 0.01854 0.01928 0.01936 0.02030 0.02098 Eigenvalues --- 0.02410 0.02597 0.03217 0.03422 0.03568 Eigenvalues --- 0.03953 0.04552 0.04707 0.04794 0.04926 Eigenvalues --- 0.05140 0.05219 0.05312 0.05376 0.05631 Eigenvalues --- 0.05729 0.06186 0.06357 0.06660 0.08129 Eigenvalues --- 0.08180 0.08215 0.08281 0.08371 0.08469 Eigenvalues --- 0.08766 0.09803 0.12121 0.12404 0.15409 Eigenvalues --- 0.15955 0.15971 0.16010 0.16041 0.16082 Eigenvalues --- 0.16228 0.18407 0.19206 0.19511 0.20495 Eigenvalues --- 0.20712 0.22623 0.23854 0.24971 0.25003 Eigenvalues --- 0.25084 0.25269 0.26294 0.26944 0.27286 Eigenvalues --- 0.28278 0.28882 0.29466 0.29937 0.30350 Eigenvalues --- 0.32183 0.34557 0.34658 0.34729 0.34788 Eigenvalues --- 0.34793 0.34803 0.34808 0.34824 0.34835 Eigenvalues --- 0.34844 0.34874 0.34902 0.34953 0.34968 Eigenvalues --- 0.35096 0.35949 0.36478 0.37771 0.41696 Eigenvalues --- 0.43333 0.44960 0.47663 0.49614 0.51143 Eigenvalues --- 0.56588 0.58790 0.87514 0.96578 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 15 14 13 RFO step: Lambda=-3.92036546D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.06042 -0.77128 -0.28915 Iteration 1 RMS(Cart)= 0.02871008 RMS(Int)= 0.00069916 Iteration 2 RMS(Cart)= 0.00089411 RMS(Int)= 0.00020629 Iteration 3 RMS(Cart)= 0.00000044 RMS(Int)= 0.00020629 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87525 -0.00015 0.00058 -0.00117 -0.00060 2.87465 R2 2.64159 0.00033 -0.00163 0.00245 0.00082 2.64241 R3 2.75764 0.00075 -0.00090 0.00470 0.00381 2.76145 R4 2.03551 0.00035 -0.00081 0.00176 0.00095 2.03646 R5 2.04720 0.00002 -0.00008 0.00005 -0.00003 2.04716 R6 2.05281 0.00007 0.00003 0.00037 0.00040 2.05322 R7 2.04966 -0.00001 0.00013 -0.00013 -0.00000 2.04966 R8 1.79275 -0.00144 0.00157 -0.00637 -0.00480 1.78795 R9 2.26170 0.00034 -0.00011 0.00083 0.00072 2.26242 R10 2.61706 0.00001 0.00180 -0.00122 0.00060 2.61766 R11 2.77736 0.00011 0.00150 -0.00092 0.00058 2.77794 R12 2.58508 -0.00011 -0.00175 0.00118 -0.00057 2.58452 R13 1.88657 -0.00006 0.00007 -0.00025 -0.00018 1.88639 R14 2.26589 0.00010 -0.00003 0.00025 0.00023 2.26611 R15 2.58984 -0.00083 0.00134 -0.00271 -0.00137 2.58847 R16 2.61660 0.00015 -0.00122 0.00148 0.00025 2.61685 R17 2.51771 0.00017 0.00237 -0.00119 0.00117 2.51888 R18 2.01785 0.00014 -0.00135 0.00133 -0.00002 2.01783 R19 2.86083 0.00185 0.00171 0.00542 0.00713 2.86795 R20 2.90052 0.00095 -0.00557 0.00926 0.00361 2.90414 R21 2.90486 0.00125 -0.01272 0.01438 0.00173 2.90658 R22 2.05014 -0.00060 -0.00041 -0.00108 -0.00149 2.04865 R23 2.93296 0.00010 -0.00353 0.00042 -0.00327 2.92970 R24 2.05352 -0.00071 0.00006 -0.00183 -0.00176 2.05176 R25 2.05160 0.00056 -0.00036 0.00110 0.00075 2.05235 R26 2.89090 0.00052 -0.00199 0.00126 -0.00077 2.89013 R27 2.05344 0.00009 0.00027 0.00017 0.00043 2.05388 R28 2.05095 0.00015 0.00020 0.00047 0.00068 2.05162 R29 2.90044 0.00074 -0.00135 0.00209 0.00080 2.90124 R30 2.05252 0.00009 0.00052 -0.00007 0.00045 2.05296 R31 2.05390 -0.00039 0.00161 -0.00213 -0.00052 2.05338 R32 2.92454 0.00001 -0.00026 -0.00002 -0.00013 2.92441 R33 2.05266 0.00018 -0.00027 0.00069 0.00041 2.05308 R34 2.05124 0.00000 0.00080 -0.00043 0.00037 2.05161 R35 2.05808 -0.00102 0.00074 -0.00221 -0.00147 2.05662 R36 2.04589 0.00010 0.00410 -0.00325 0.00084 2.04673 A1 1.95151 -0.00016 0.00007 -0.00140 -0.00137 1.95015 A2 1.95001 -0.00016 0.00057 0.00111 0.00167 1.95168 A3 1.92444 -0.00000 0.00089 -0.00456 -0.00369 1.92075 A4 1.84905 0.00056 -0.00511 0.01261 0.00749 1.85654 A5 1.93477 -0.00016 0.00172 -0.00567 -0.00397 1.93081 A6 1.85041 -0.00006 0.00181 -0.00156 0.00027 1.85067 A7 1.92384 -0.00007 -0.00032 -0.00103 -0.00135 1.92249 A8 1.92416 0.00005 0.00039 0.00099 0.00138 1.92554 A9 1.93352 -0.00019 0.00122 -0.00256 -0.00134 1.93218 A10 1.88587 0.00003 -0.00040 0.00079 0.00040 1.88627 A11 1.90522 0.00010 -0.00017 0.00058 0.00040 1.90562 A12 1.89023 0.00009 -0.00078 0.00136 0.00058 1.89080 A13 1.91083 -0.00003 -0.00068 0.00111 0.00043 1.91125 A14 2.09481 -0.00035 -0.00286 0.00170 -0.00129 2.09352 A15 2.18865 0.00034 0.00306 -0.00136 0.00157 2.19023 A16 1.99969 0.00001 -0.00021 -0.00008 -0.00041 1.99928 A17 2.23548 0.00016 0.00336 -0.00170 0.00155 2.23703 A18 2.03418 -0.00025 -0.00130 -0.00024 -0.00166 2.03251 A19 2.01177 0.00011 -0.00062 0.00174 0.00099 2.01276 A20 2.13029 0.00071 -0.00047 0.00379 0.00322 2.13351 A21 1.99409 -0.00001 -0.00181 0.00157 -0.00032 1.99377 A22 2.15876 -0.00070 0.00255 -0.00531 -0.00285 2.15590 A23 2.06282 -0.00094 0.00340 -0.00674 -0.00334 2.05948 A24 2.09922 0.00091 -0.00291 0.00701 0.00410 2.10333 A25 2.12032 0.00002 -0.00056 -0.00027 -0.00084 2.11948 A26 2.16959 0.00024 0.00340 -0.00134 0.00205 2.17164 A27 1.97688 0.00010 -0.00517 0.00452 -0.00064 1.97623 A28 2.13661 -0.00035 0.00177 -0.00317 -0.00140 2.13521 A29 2.04624 -0.00043 -0.00300 0.00134 -0.00189 2.04435 A30 2.03823 0.00091 0.00290 0.00019 0.00287 2.04110 A31 2.19865 -0.00049 0.00033 -0.00118 -0.00107 2.19757 A32 1.99167 -0.00046 -0.00084 0.00143 0.00075 1.99241 A33 1.94376 0.00099 -0.01272 0.02038 0.00770 1.95146 A34 1.84198 0.00012 -0.00584 0.00520 -0.00068 1.84129 A35 1.90042 0.00020 -0.00483 0.01591 0.01032 1.91074 A36 1.89781 -0.00026 0.01114 -0.02007 -0.00890 1.88891 A37 1.88424 -0.00067 0.01529 -0.02661 -0.01115 1.87309 A38 1.95913 0.00016 -0.00752 0.00939 0.00040 1.95953 A39 1.91331 -0.00030 0.01679 -0.01464 0.00259 1.91590 A40 1.90549 0.00064 -0.01658 0.01887 0.00270 1.90819 A41 1.89166 -0.00008 0.00699 -0.00916 -0.00175 1.88991 A42 1.93083 -0.00041 0.00033 -0.00329 -0.00275 1.92807 A43 1.86077 -0.00003 0.00111 -0.00226 -0.00128 1.85949 A44 1.96858 0.00009 -0.00188 -0.00080 -0.00401 1.96457 A45 1.91047 0.00013 -0.00046 -0.00120 -0.00136 1.90911 A46 1.91934 -0.00031 0.00169 -0.00174 0.00040 1.91974 A47 1.89918 -0.00031 -0.00169 -0.00276 -0.00406 1.89512 A48 1.91017 0.00039 0.00356 0.00476 0.00872 1.91889 A49 1.85237 0.00000 -0.00121 0.00189 0.00049 1.85285 A50 1.94893 0.00030 -0.01635 0.00876 -0.00819 1.94074 A51 1.91607 -0.00004 0.00282 -0.00007 0.00294 1.91901 A52 1.91091 -0.00019 0.00724 -0.00631 0.00100 1.91191 A53 1.91571 0.00001 -0.00454 0.00549 0.00112 1.91683 A54 1.91783 -0.00010 0.01002 -0.00797 0.00222 1.92005 A55 1.85190 0.00001 0.00198 -0.00045 0.00142 1.85332 A56 1.96604 -0.00004 -0.00217 0.00096 -0.00176 1.96429 A57 1.91138 -0.00047 0.00128 -0.00705 -0.00559 1.90580 A58 1.90028 0.00052 0.00022 0.00665 0.00699 1.90727 A59 1.90672 0.00026 -0.00245 0.00132 -0.00114 1.90559 A60 1.92046 -0.00027 0.00533 -0.00425 0.00137 1.92183 A61 1.85568 -0.00001 -0.00220 0.00243 0.00017 1.85585 A62 1.94665 0.00029 -0.00888 0.01017 0.00088 1.94753 A63 1.88970 -0.00048 0.01882 -0.02193 -0.00305 1.88665 A64 1.91334 0.00070 -0.01671 0.02207 0.00538 1.91872 A65 1.92840 -0.00029 0.01447 -0.01476 -0.00042 1.92798 A66 1.92014 -0.00028 -0.00410 0.00200 -0.00212 1.91802 A67 1.86351 0.00006 -0.00280 0.00200 -0.00069 1.86281 D1 -3.12765 -0.00025 0.00239 -0.00811 -0.00571 -3.13336 D2 1.07504 -0.00027 0.00283 -0.00906 -0.00622 1.06882 D3 -1.01703 -0.00029 0.00276 -0.00975 -0.00698 -1.02400 D4 -1.05850 0.00025 -0.00368 0.00771 0.00402 -1.05448 D5 -3.13899 0.00022 -0.00324 0.00675 0.00351 -3.13548 D6 1.05212 0.00021 -0.00331 0.00607 0.00276 1.05488 D7 0.99457 0.00007 -0.00050 0.00353 0.00302 0.99760 D8 -1.08592 0.00005 -0.00006 0.00258 0.00251 -1.08341 D9 3.10520 0.00003 -0.00013 0.00189 0.00176 3.10696 D10 -1.07988 0.00013 0.00095 0.00734 0.00829 -1.07159 D11 3.07506 0.00005 0.00355 -0.00140 0.00214 3.07720 D12 1.07526 -0.00010 0.00338 -0.00373 -0.00033 1.07492 D13 1.66960 -0.00007 -0.00866 0.00682 -0.00185 1.66775 D14 -1.42889 -0.00004 -0.00701 0.00698 -0.00004 -1.42893 D15 -2.48437 0.00000 -0.01159 0.01393 0.00235 -2.48202 D16 0.70032 0.00004 -0.00994 0.01409 0.00417 0.70449 D17 -0.42744 0.00006 -0.01119 0.01271 0.00152 -0.42592 D18 2.75726 0.00009 -0.00954 0.01287 0.00333 2.76059 D19 3.08799 0.00030 0.02589 0.00882 0.03471 3.12270 D20 0.01365 0.00009 0.00246 0.01264 0.01510 0.02875 D21 -0.04479 0.00004 0.02837 -0.02071 0.00768 -0.03712 D22 -3.11914 -0.00017 0.00494 -0.01689 -0.01193 -3.13107 D23 -3.11057 -0.00024 -0.03045 -0.00689 -0.03731 3.13530 D24 0.04303 -0.00037 0.00477 -0.03579 -0.03105 0.01198 D25 0.02166 0.00003 -0.03311 0.02449 -0.00856 0.01310 D26 -3.10792 -0.00010 0.00211 -0.00440 -0.00230 -3.11022 D27 -3.08246 -0.00013 -0.01173 0.00026 -0.01152 -3.09398 D28 0.04937 -0.00007 -0.00830 0.00609 -0.00221 0.04716 D29 -0.00739 0.00006 0.01142 -0.00358 0.00782 0.00043 D30 3.12444 0.00013 0.01485 0.00224 0.01713 3.14157 D31 -3.12933 0.00003 -0.00567 0.00496 -0.00072 -3.13005 D32 -0.03138 0.00003 -0.00740 0.00498 -0.00242 -0.03380 D33 0.00231 0.00011 -0.00215 0.01096 0.00877 0.01109 D34 3.10026 0.00010 -0.00388 0.01098 0.00707 3.10733 D35 3.11231 -0.00001 -0.00178 0.00071 -0.00109 3.11122 D36 -0.04518 -0.00001 -0.00170 0.00111 -0.00060 -0.04578 D37 0.01526 0.00005 -0.00017 0.00103 0.00084 0.01611 D38 3.14096 0.00004 -0.00009 0.00143 0.00133 -3.14089 D39 -0.00970 -0.00007 0.02142 -0.01646 0.00495 -0.00475 D40 3.11864 0.00008 -0.01736 0.01542 -0.00191 3.11673 D41 -3.13399 -0.00007 0.02139 -0.01696 0.00441 -3.12958 D42 -0.00565 0.00008 -0.01738 0.01492 -0.00245 -0.00810 D43 -2.80114 0.00050 -0.01644 0.04349 0.02690 -2.77424 D44 1.32174 -0.00021 0.00118 0.00477 0.00613 1.32787 D45 -0.71857 -0.00000 -0.00702 0.02299 0.01588 -0.70268 D46 0.35364 0.00036 0.02217 0.01173 0.03378 0.38743 D47 -1.80666 -0.00035 0.03979 -0.02699 0.01302 -1.79365 D48 2.43622 -0.00014 0.03159 -0.00877 0.02277 2.45899 D49 -3.03243 -0.00025 0.02864 0.01795 0.04660 -2.98583 D50 -0.92918 -0.00045 0.04403 0.00250 0.04643 -0.88276 D51 1.10323 -0.00029 0.04563 0.00228 0.04791 1.15114 D52 -0.84896 0.00088 0.00712 0.05839 0.06564 -0.78331 D53 1.25429 0.00068 0.02251 0.04294 0.06547 1.31976 D54 -2.99648 0.00084 0.02411 0.04272 0.06695 -2.92953 D55 1.20001 0.00005 0.02888 0.02422 0.05303 1.25304 D56 -2.97993 -0.00015 0.04427 0.00877 0.05286 -2.92707 D57 -0.94751 0.00001 0.04587 0.00854 0.05434 -0.89317 D58 -2.96413 -0.00047 0.01591 -0.00517 0.01054 -2.95359 D59 1.19369 0.00003 -0.00898 0.02148 0.01255 1.20624 D60 -0.83310 -0.00015 -0.00738 0.01939 0.01217 -0.82093 D61 1.10784 -0.00074 0.03007 -0.03347 -0.00393 1.10391 D62 -1.01753 -0.00024 0.00519 -0.00682 -0.00192 -1.01945 D63 -3.04432 -0.00042 0.00679 -0.00892 -0.00230 -3.04662 D64 -0.94972 -0.00017 0.01099 -0.00343 0.00731 -0.94242 D65 -3.07509 0.00033 -0.01389 0.02322 0.00931 -3.06578 D66 1.18131 0.00015 -0.01229 0.02112 0.00894 1.19024 D67 -0.16503 -0.00032 -0.04018 -0.04334 -0.08350 -0.24853 D68 1.95204 -0.00056 -0.04392 -0.04825 -0.09227 1.85977 D69 -2.30256 -0.00065 -0.04469 -0.04766 -0.09224 -2.39480 D70 -2.28076 0.00001 -0.06119 -0.02474 -0.08581 -2.36657 D71 -0.16368 -0.00023 -0.06493 -0.02964 -0.09458 -0.25826 D72 1.86490 -0.00033 -0.06570 -0.02905 -0.09455 1.77035 D73 1.96817 0.00032 -0.06681 -0.01479 -0.08172 1.88645 D74 -2.19795 0.00008 -0.07055 -0.01969 -0.09049 -2.28843 D75 -0.16936 -0.00002 -0.07132 -0.01910 -0.09046 -0.25982 D76 0.97976 -0.00002 0.03521 0.01216 0.04719 1.02695 D77 3.10858 0.00016 0.02025 0.02497 0.04514 -3.12946 D78 -1.14820 0.00004 0.02832 0.02076 0.04912 -1.09908 D79 -1.14372 -0.00003 0.03824 0.01615 0.05436 -1.08936 D80 0.98511 0.00016 0.02328 0.02896 0.05231 1.03742 D81 3.01152 0.00004 0.03135 0.02475 0.05629 3.06780 D82 3.12241 -0.00007 0.03867 0.01283 0.05127 -3.10950 D83 -1.03194 0.00011 0.02371 0.02564 0.04922 -0.98272 D84 0.99446 -0.00001 0.03178 0.02143 0.05320 1.04766 D85 -0.72339 0.00018 0.00254 0.01347 0.01641 -0.70698 D86 1.40225 0.00016 -0.00115 0.01079 0.00985 1.41210 D87 -2.85864 0.00018 -0.00295 0.01353 0.01086 -2.84779 D88 -2.85242 0.00003 0.01338 0.00387 0.01740 -2.83502 D89 -0.72679 0.00001 0.00968 0.00119 0.01084 -0.71594 D90 1.29550 0.00003 0.00788 0.00392 0.01185 1.30735 D91 1.40057 0.00007 0.00780 0.00584 0.01373 1.41430 D92 -2.75698 0.00005 0.00411 0.00316 0.00717 -2.74981 D93 -0.73469 0.00007 0.00230 0.00590 0.00817 -0.72651 D94 -0.29863 0.00015 -0.02766 -0.00361 -0.03116 -0.32979 D95 1.80419 -0.00046 -0.00008 -0.03458 -0.03472 1.76947 D96 -2.42574 -0.00074 0.00278 -0.03985 -0.03711 -2.46285 D97 -2.42691 0.00059 -0.02609 0.00381 -0.02209 -2.44899 D98 -0.32409 -0.00003 0.00150 -0.02716 -0.02564 -0.34973 D99 1.72917 -0.00031 0.00435 -0.03244 -0.02804 1.70113 D100 1.82523 0.00060 -0.02506 0.00254 -0.02241 1.80282 D101 -2.35514 -0.00001 0.00253 -0.02844 -0.02596 -2.38110 D102 -0.30188 -0.00029 0.00538 -0.03371 -0.02836 -0.33024 Item Value Threshold Converged? Maximum Force 0.001850 0.000450 NO RMS Force 0.000385 0.000300 NO Maximum Displacement 0.185762 0.001800 NO RMS Displacement 0.028693 0.001200 NO Predicted change in Energy=-2.102240D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.847834 -4.956349 1.599174 2 6 0 7.216722 -5.473970 2.981216 3 8 0 6.511570 -5.997874 0.728889 4 8 0 2.576394 -1.588855 1.870447 5 6 0 3.465060 -2.388647 1.807688 6 7 0 4.780728 -1.958097 1.758331 7 6 0 5.917119 -2.717269 1.705529 8 8 0 7.012871 -2.230154 1.713893 9 7 0 5.689516 -4.066569 1.643673 10 6 0 4.405776 -4.584747 1.676928 11 6 0 3.297469 -3.848012 1.751688 12 1 0 7.657603 -4.370905 1.195626 13 1 0 7.464179 -4.646926 3.635685 14 1 0 8.083029 -6.126948 2.920823 15 1 0 4.927879 -0.971818 1.803841 16 1 0 4.380337 -5.650787 1.621387 17 6 0 1.875291 -4.377751 1.759651 18 1 0 6.395203 -6.036000 3.412102 19 1 0 7.255054 -6.573314 0.622667 20 6 0 1.752433 -5.842982 2.206605 21 6 0 0.324222 -6.405710 1.989650 22 6 0 -0.704325 -5.306997 1.717684 23 6 0 -0.326766 -4.488486 0.474887 24 6 0 1.191312 -4.199192 0.393622 25 1 0 1.340046 -3.759998 2.471802 26 1 0 2.449649 -6.457808 1.645611 27 1 0 2.038571 -5.925461 3.251040 28 1 0 0.330704 -7.090640 1.145788 29 1 0 0.021102 -6.991516 2.851993 30 1 0 -1.689161 -5.745877 1.584623 31 1 0 -0.777667 -4.655221 2.584006 32 1 0 -0.635426 -5.028574 -0.415837 33 1 0 -0.884752 -3.557186 0.475930 34 1 0 1.669694 -4.872959 -0.314626 35 1 0 1.355731 -3.193402 0.026982 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521200 0.000000 3 O 1.398301 2.417580 0.000000 4 O 5.445991 6.153095 6.018989 0.000000 5 C 4.252027 4.997134 4.844745 1.197220 0.000000 6 N 3.645240 4.448694 4.513908 2.237857 1.385205 7 C 2.427143 3.303899 3.474129 3.530009 2.476090 8 O 2.733594 3.488554 3.926481 4.485321 3.552587 9 N 1.461298 2.470255 2.289660 3.985226 2.791151 10 C 2.471393 3.223864 2.707412 3.515602 2.392676 11 C 3.722468 4.417694 3.999809 2.374415 1.470023 12 H 1.077646 2.144635 2.044081 5.832141 4.677753 13 H 2.150116 1.083313 3.343948 6.029785 4.943110 14 H 2.154707 1.086516 2.700133 7.212532 6.044799 15 H 4.427709 5.185980 5.378182 2.432006 2.036481 16 H 2.563451 3.150472 2.336489 4.451464 3.393228 17 C 5.008664 5.587915 5.018202 2.877805 2.546804 18 H 2.158062 1.084636 2.686007 6.061115 4.946015 19 H 1.932348 2.602456 0.946140 6.949219 5.768861 20 C 5.207514 5.531243 4.985682 4.346206 3.876165 21 C 6.694075 7.025518 6.327648 5.318701 5.102428 22 C 7.561224 8.022928 7.316022 4.960950 5.090053 23 C 7.277212 8.009811 7.007540 4.334027 4.534714 24 C 5.832914 6.680289 5.626083 3.303532 3.232273 25 H 5.703373 6.142680 5.898347 2.569834 2.614830 26 H 4.647642 5.047451 4.189407 4.875789 4.197070 27 H 5.176567 5.204795 5.135583 4.582733 4.077645 28 H 6.872681 7.307507 6.290553 5.986476 5.689555 29 H 7.232962 7.355039 6.900803 6.056542 5.842759 30 H 8.573439 9.018822 8.249108 5.963010 6.155222 31 H 7.694729 8.046017 7.640495 4.600163 4.872450 32 H 7.750140 8.567063 7.302705 5.232069 5.359782 33 H 7.938025 8.693929 7.792723 4.218831 4.696800 34 H 5.521116 6.480224 5.079185 4.047467 3.728185 35 H 5.978543 6.948360 5.911042 2.731840 2.875381 6 7 8 9 10 6 N 0.000000 7 C 1.367667 0.000000 8 O 2.249100 1.199175 0.000000 9 N 2.298846 1.369760 2.264646 0.000000 10 C 2.654525 2.402593 3.513178 1.384775 0.000000 11 C 2.402474 2.853643 4.052543 2.404438 1.332933 12 H 3.796667 2.454342 2.295015 2.041258 3.294201 13 H 4.237353 3.137271 3.120536 2.730266 3.632412 14 H 5.443886 4.218296 4.217455 3.406638 4.177062 15 H 0.998234 2.008696 2.436943 3.191117 3.652664 16 H 3.716857 3.312749 4.317351 2.055284 1.067789 17 C 3.781044 4.369955 5.568572 3.828654 2.540284 18 H 4.687300 3.762305 4.213063 2.739343 3.012438 19 H 5.358381 4.222765 4.484692 3.126840 3.631012 20 C 4.946095 5.231231 6.400586 4.355819 2.983947 21 C 6.300414 6.705656 7.889825 5.863246 4.480266 22 C 6.426709 7.109878 8.307953 6.513473 5.161050 23 C 5.842654 6.605891 7.778527 6.143266 4.883761 24 C 4.446217 5.123520 6.285760 4.670552 3.482572 25 H 3.948947 4.756475 5.924170 4.438205 3.272725 26 H 5.068929 5.100841 6.220990 4.026756 2.708463 27 H 5.048523 5.265381 6.384495 4.400966 3.143088 28 H 6.820625 7.116721 8.282416 6.173310 4.813297 29 H 7.013234 7.372014 8.535261 6.492016 5.137965 30 H 7.499128 8.187954 9.386287 7.567591 6.205240 31 H 6.233136 7.024781 8.205519 6.561646 5.262684 32 H 6.594662 7.264859 8.418037 6.721006 5.476346 33 H 6.024891 6.962962 8.103457 6.696573 5.521591 34 H 4.740475 5.173843 6.296733 4.543585 3.396395 35 H 4.031644 4.883696 5.981366 4.707207 3.736434 11 12 13 14 15 11 C 0.000000 12 H 4.426442 0.000000 13 H 4.642109 2.463227 0.000000 14 H 5.427892 2.498196 1.756266 0.000000 15 H 3.306576 4.401716 4.826478 6.146380 0.000000 16 H 2.107031 3.543987 3.817749 3.952872 4.714429 17 C 1.517655 5.809759 5.901493 6.553169 4.573907 18 H 4.140075 3.046139 1.766982 1.760223 5.512303 19 H 4.936034 2.311046 3.582315 2.483205 6.179617 20 C 2.563980 6.169289 6.008066 6.377084 5.828714 21 C 3.929204 7.651757 7.535366 7.819455 7.124280 22 C 4.259595 8.430341 8.416583 8.907158 7.107947 23 C 3.895576 8.017696 8.409195 8.910209 6.460988 24 C 2.530527 6.518099 7.075330 7.589385 5.134841 25 H 2.087538 6.474052 6.296528 7.160439 4.592675 26 H 2.746104 5.628538 5.690800 5.785379 6.021856 27 H 2.854589 6.181819 5.587470 6.056824 5.914479 28 H 4.436603 7.815554 7.940893 8.011117 7.681603 29 H 4.671924 8.241802 7.842874 8.108446 7.836571 30 H 5.338191 9.455362 9.444479 9.870479 8.162409 31 H 4.236872 8.553492 8.308678 8.988402 6.835889 32 H 4.643227 8.473705 9.064440 9.399531 7.234265 33 H 4.382136 8.611152 8.993121 9.643769 6.498781 34 H 2.823087 6.195803 7.016559 7.291878 5.506593 35 H 2.678334 6.516581 7.242140 7.889015 4.566497 16 17 18 19 20 16 H 0.000000 17 C 2.813359 0.000000 18 H 2.723001 5.090185 0.000000 19 H 3.180015 5.920732 2.967996 0.000000 20 C 2.699129 1.536803 4.800603 5.772441 0.000000 21 C 4.142173 2.563461 6.246348 7.066340 1.550329 22 C 5.097181 2.742203 7.335243 8.133531 2.561637 23 C 4.982191 2.551850 7.497126 7.864626 3.025983 24 C 3.712737 1.538098 6.290117 6.515971 2.510739 25 H 3.679898 1.084096 5.623074 6.805979 2.139909 26 H 2.092708 2.160909 4.343479 4.914435 1.085742 27 H 2.866196 2.155529 4.361009 5.877052 1.086058 28 H 4.324222 3.181563 6.559466 6.963325 2.168709 29 H 4.723863 3.385705 6.469613 7.581217 2.175584 30 H 6.070354 3.822005 8.293419 9.033769 3.498694 31 H 5.340674 2.791906 7.351351 8.488259 2.820392 32 H 5.449340 3.385265 8.068319 8.107057 3.639001 33 H 5.780692 3.152635 8.231851 8.681878 3.895490 34 H 3.420636 2.142458 6.129568 5.913202 2.702665 35 H 4.210595 2.162121 6.703408 6.825002 3.453752 21 22 23 24 25 21 C 0.000000 22 C 1.529394 0.000000 23 C 2.528643 1.535270 0.000000 24 C 2.857948 2.563944 1.547532 0.000000 25 H 2.874745 2.672331 2.701227 2.129283 0.000000 26 H 2.153721 3.358141 3.599625 2.872670 3.031829 27 H 2.181911 3.202679 3.920043 3.444225 2.405073 28 H 1.086864 2.140031 2.766510 3.109159 3.724280 29 H 1.085673 2.156503 3.469409 3.900007 3.510964 30 H 2.157113 1.086381 2.160709 3.479633 3.729196 31 H 2.152122 1.086602 2.163214 2.980373 2.301896 32 H 2.933222 2.152714 1.086441 2.163347 3.721590 33 H 3.444859 2.153217 1.085666 2.174624 2.995725 34 H 3.077224 3.155098 2.181056 1.088314 3.018532 35 H 3.903204 3.401410 2.169945 1.083085 2.509666 26 27 28 29 30 26 H 0.000000 27 H 1.740626 0.000000 28 H 2.267207 2.950684 0.000000 29 H 2.763701 2.316440 1.736897 0.000000 30 H 4.200037 4.087197 2.465932 2.466342 0.000000 31 H 3.813853 3.160640 3.037799 2.483571 1.737561 32 H 3.976174 4.626084 2.761194 3.868188 2.372071 33 H 4.571651 4.675017 3.796227 4.273274 2.581984 34 H 2.638675 3.736015 2.973855 4.151339 3.956140 35 H 3.804335 4.280767 4.182209 4.918089 4.267640 31 32 33 34 35 31 H 0.000000 32 H 3.026331 0.000000 33 H 2.379314 1.738504 0.000000 34 H 3.799876 2.312583 2.980174 0.000000 35 H 3.636850 2.743839 2.313798 1.742464 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.062055 -1.186871 -0.308665 2 6 0 3.444783 -1.824487 1.018366 3 8 0 2.518445 -2.122027 -1.194790 4 8 0 -0.642354 2.736842 0.426620 5 6 0 0.113404 1.822823 0.263119 6 7 0 1.471418 2.063102 0.133290 7 6 0 2.478273 1.153328 -0.037202 8 8 0 3.631469 1.477850 -0.090564 9 7 0 2.052094 -0.144441 -0.139227 10 6 0 0.711674 -0.475029 -0.031578 11 6 0 -0.269247 0.407394 0.157719 12 1 0 3.919269 -0.702465 -0.746681 13 1 0 3.854644 -1.077171 1.687021 14 1 0 4.200108 -2.590339 0.865165 15 1 0 1.763991 3.014442 0.209606 16 1 0 0.526867 -1.522046 -0.130448 17 6 0 -1.749707 0.086489 0.250095 18 1 0 2.581264 -2.285525 1.485500 19 1 0 3.160767 -2.791274 -1.381099 20 6 0 -2.054723 -1.367823 0.642149 21 6 0 -3.561322 -1.708531 0.509496 22 6 0 -4.434267 -0.461338 0.362800 23 6 0 -4.026823 0.359679 -0.868856 24 6 0 -2.491890 0.433143 -1.051727 25 1 0 -2.138954 0.735657 1.026196 26 1 0 -1.494878 -2.045250 0.004573 27 1 0 -1.713075 -1.545639 1.657619 28 1 0 -3.712724 -2.341597 -0.360893 29 1 0 -3.887253 -2.289993 1.366443 30 1 0 -5.479463 -0.747407 0.285641 31 1 0 -4.352164 0.147316 1.259183 32 1 0 -4.471251 -0.082749 -1.756040 33 1 0 -4.441218 1.359729 -0.786118 34 1 0 -2.166686 -0.263473 -1.822050 35 1 0 -2.207567 1.423179 -1.386485 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8132367 0.2819168 0.2279573 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1276.7517669538 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.43D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000021 0.000094 -0.000113 Ang= -0.02 deg. 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) = -798.430817373 A.U. after 12 cycles NFock= 12 Conv=0.55D-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 0.001179021 -0.000185856 -0.000201842 2 6 -0.000476025 0.000224649 0.000304632 3 8 -0.002490321 0.001447036 0.000219201 4 8 0.000484258 -0.000396945 0.001550822 5 6 -0.000501475 0.000023557 -0.003770372 6 7 0.000287928 0.000018547 0.001759743 7 6 0.000338256 0.000091750 -0.001440997 8 8 -0.000263670 0.000397256 0.000556817 9 7 -0.000031157 -0.001264632 0.000261441 10 6 0.000314395 0.000061223 0.000307010 11 6 -0.000007167 -0.000076632 0.000568767 12 1 -0.000439073 0.000306657 0.000020753 13 1 0.000027967 -0.000044117 0.000129436 14 1 -0.000115894 0.000144125 -0.000156635 15 1 -0.000084480 0.000072147 -0.000082116 16 1 -0.000006733 -0.000247421 -0.000253912 17 6 0.001035154 0.000490855 -0.000130410 18 1 0.000023607 -0.000049203 0.000106533 19 1 0.001163689 -0.000721276 -0.000008700 20 6 -0.000047291 0.000036553 0.000159094 21 6 0.000060546 -0.000183130 0.000073696 22 6 -0.000483249 -0.000592318 -0.000006119 23 6 0.000346403 -0.000098520 -0.000376452 24 6 -0.000132546 0.000763440 -0.000296682 25 1 0.000220464 0.000233646 0.000242309 26 1 -0.000333346 -0.000418107 0.000363666 27 1 -0.000014824 0.000341609 0.000228951 28 1 -0.000298285 0.000125969 -0.000277917 29 1 0.000412661 -0.000183179 -0.000155257 30 1 0.000117195 0.000032708 0.000157389 31 1 -0.000142995 -0.000120863 0.000033505 32 1 -0.000145814 0.000125980 -0.000114779 33 1 0.000430180 0.000041254 0.000198196 34 1 -0.000449104 -0.000054202 0.000141929 35 1 0.000021725 -0.000342560 -0.000111699 ------------------------------------------------------------------- Cartesian Forces: Max 0.003770372 RMS 0.000638199 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001589135 RMS 0.000319647 Search for a local minimum. Step number 16 out of a maximum of 210 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= -2.73D-04 DEPred=-2.10D-04 R= 1.30D+00 TightC=F SS= 1.41D+00 RLast= 3.77D-01 DXNew= 5.0454D+00 1.1319D+00 Trust test= 1.30D+00 RLast= 3.77D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00067 0.00282 0.00442 0.00499 0.00505 Eigenvalues --- 0.00709 0.01449 0.01456 0.01493 0.01661 Eigenvalues --- 0.01877 0.01927 0.01937 0.02036 0.02283 Eigenvalues --- 0.02517 0.03182 0.03429 0.03558 0.03675 Eigenvalues --- 0.04025 0.04533 0.04718 0.04817 0.04907 Eigenvalues --- 0.05172 0.05241 0.05321 0.05393 0.05644 Eigenvalues --- 0.05727 0.06264 0.06480 0.06687 0.08059 Eigenvalues --- 0.08173 0.08227 0.08263 0.08326 0.08478 Eigenvalues --- 0.08996 0.09798 0.12092 0.12411 0.15487 Eigenvalues --- 0.15947 0.15984 0.16014 0.16085 0.16127 Eigenvalues --- 0.16249 0.18538 0.19403 0.19580 0.20609 Eigenvalues --- 0.20847 0.22649 0.23839 0.24988 0.25036 Eigenvalues --- 0.25195 0.25343 0.26485 0.27038 0.27878 Eigenvalues --- 0.28614 0.29000 0.29494 0.29968 0.30304 Eigenvalues --- 0.32184 0.34582 0.34721 0.34762 0.34791 Eigenvalues --- 0.34793 0.34803 0.34807 0.34824 0.34835 Eigenvalues --- 0.34840 0.34874 0.34905 0.34947 0.35003 Eigenvalues --- 0.35279 0.36044 0.37533 0.38878 0.42360 Eigenvalues --- 0.44070 0.45288 0.47743 0.49672 0.52182 Eigenvalues --- 0.56690 0.61489 0.87738 0.96580 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 16 15 14 13 RFO step: Lambda=-4.40283289D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.11927 -0.43067 -0.82138 0.13278 Iteration 1 RMS(Cart)= 0.04456650 RMS(Int)= 0.00132718 Iteration 2 RMS(Cart)= 0.00165804 RMS(Int)= 0.00041282 Iteration 3 RMS(Cart)= 0.00000143 RMS(Int)= 0.00041282 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00041282 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87465 0.00012 -0.00076 0.00055 -0.00020 2.87445 R2 2.64241 -0.00035 -0.00025 0.00002 -0.00023 2.64218 R3 2.76145 -0.00159 0.00640 -0.00470 0.00170 2.76315 R4 2.03646 -0.00017 0.00110 -0.00062 0.00048 2.03694 R5 2.04716 0.00005 -0.00016 0.00019 0.00003 2.04719 R6 2.05322 -0.00017 0.00074 -0.00053 0.00021 2.05343 R7 2.04966 0.00005 0.00010 0.00004 0.00014 2.04981 R8 1.78795 0.00135 -0.00927 0.00660 -0.00267 1.78527 R9 2.26242 -0.00054 0.00096 -0.00049 0.00048 2.26289 R10 2.61766 -0.00011 0.00233 -0.00106 0.00129 2.61894 R11 2.77794 -0.00032 0.00189 -0.00144 0.00043 2.77838 R12 2.58452 -0.00024 -0.00189 0.00051 -0.00135 2.58317 R13 1.88639 0.00006 -0.00128 0.00111 -0.00017 1.88622 R14 2.26611 -0.00008 0.00040 -0.00013 0.00027 2.26638 R15 2.58847 0.00051 -0.00127 0.00110 -0.00016 2.58831 R16 2.61685 -0.00060 -0.00104 -0.00016 -0.00121 2.61563 R17 2.51888 -0.00049 0.00373 -0.00207 0.00163 2.52051 R18 2.01783 0.00026 -0.00077 0.00073 -0.00004 2.01779 R19 2.86795 -0.00063 0.01653 -0.00794 0.00859 2.87654 R20 2.90414 0.00053 -0.00124 0.00248 0.00097 2.90510 R21 2.90658 0.00045 -0.00923 0.00460 -0.00449 2.90209 R22 2.04865 0.00018 -0.00321 0.00195 -0.00126 2.04739 R23 2.92970 0.00015 -0.00855 0.00274 -0.00607 2.92363 R24 2.05176 -0.00017 -0.00253 0.00066 -0.00187 2.04989 R25 2.05235 0.00019 0.00126 -0.00037 0.00089 2.05324 R26 2.89013 -0.00000 0.00022 -0.00090 -0.00056 2.88958 R27 2.05388 0.00013 0.00087 0.00001 0.00088 2.05476 R28 2.05162 -0.00014 0.00105 -0.00056 0.00049 2.05212 R29 2.90124 0.00054 0.00153 0.00067 0.00231 2.90355 R30 2.05296 -0.00014 0.00103 -0.00067 0.00037 2.05333 R31 2.05338 -0.00004 0.00028 -0.00006 0.00023 2.05361 R32 2.92441 -0.00017 -0.00293 0.00067 -0.00209 2.92232 R33 2.05308 0.00007 0.00082 -0.00023 0.00059 2.05366 R34 2.05161 -0.00019 0.00076 -0.00050 0.00027 2.05188 R35 2.05662 -0.00026 -0.00014 -0.00014 -0.00028 2.05634 R36 2.04673 -0.00028 0.00221 -0.00138 0.00083 2.04757 A1 1.95015 0.00064 -0.00253 0.00206 -0.00050 1.94964 A2 1.95168 0.00005 0.00291 -0.00231 0.00060 1.95229 A3 1.92075 0.00005 -0.00567 0.00447 -0.00121 1.91954 A4 1.85654 -0.00114 0.00989 -0.00825 0.00164 1.85817 A5 1.93081 0.00027 -0.00550 0.00480 -0.00073 1.93008 A6 1.85067 0.00007 0.00157 -0.00126 0.00033 1.85100 A7 1.92249 0.00021 -0.00266 0.00185 -0.00081 1.92168 A8 1.92554 -0.00032 0.00260 -0.00227 0.00032 1.92586 A9 1.93218 0.00018 -0.00154 0.00117 -0.00038 1.93181 A10 1.88627 0.00002 0.00041 -0.00022 0.00019 1.88646 A11 1.90562 -0.00013 0.00081 -0.00045 0.00036 1.90599 A12 1.89080 0.00004 0.00048 -0.00013 0.00035 1.89115 A13 1.91125 -0.00036 0.00068 -0.00110 -0.00042 1.91084 A14 2.09352 -0.00013 -0.00436 0.00175 -0.00280 2.09071 A15 2.19023 -0.00006 0.00565 -0.00212 0.00334 2.19356 A16 1.99928 0.00021 -0.00142 0.00127 -0.00037 1.99891 A17 2.23703 -0.00016 0.00472 -0.00211 0.00235 2.23938 A18 2.03251 0.00000 -0.00424 0.00184 -0.00269 2.02982 A19 2.01276 0.00016 0.00130 0.00011 0.00111 2.01387 A20 2.13351 -0.00041 0.00464 -0.00265 0.00191 2.13542 A21 1.99377 -0.00030 -0.00150 0.00037 -0.00119 1.99258 A22 2.15590 0.00072 -0.00290 0.00227 -0.00073 2.15518 A23 2.05948 0.00059 -0.00321 0.00196 -0.00124 2.05824 A24 2.10333 -0.00094 0.00545 -0.00386 0.00160 2.10492 A25 2.11948 0.00035 -0.00241 0.00182 -0.00063 2.11885 A26 2.17164 -0.00020 0.00617 -0.00324 0.00285 2.17449 A27 1.97623 0.00010 -0.00374 0.00196 -0.00174 1.97450 A28 2.13521 0.00011 -0.00244 0.00132 -0.00108 2.13413 A29 2.04435 0.00013 -0.00516 0.00253 -0.00279 2.04156 A30 2.04110 -0.00024 0.01026 -0.00525 0.00495 2.04605 A31 2.19757 0.00012 -0.00528 0.00293 -0.00239 2.19519 A32 1.99241 0.00013 -0.00520 0.00322 -0.00116 1.99125 A33 1.95146 0.00018 0.00134 0.00206 0.00388 1.95534 A34 1.84129 -0.00020 0.00077 -0.00294 -0.00243 1.83886 A35 1.91074 -0.00021 0.00370 0.00201 0.00431 1.91505 A36 1.88891 0.00002 -0.00030 -0.00242 -0.00277 1.88614 A37 1.87309 0.00009 -0.00020 -0.00271 -0.00256 1.87053 A38 1.95953 0.00029 -0.00306 0.00260 -0.00342 1.95611 A39 1.91590 0.00021 0.00869 0.00015 0.00964 1.92554 A40 1.90819 -0.00019 -0.00140 -0.00176 -0.00233 1.90586 A41 1.88991 -0.00048 0.00576 -0.00639 0.00026 1.89017 A42 1.92807 0.00011 -0.00853 0.00491 -0.00282 1.92525 A43 1.85949 0.00005 -0.00099 0.00034 -0.00108 1.85841 A44 1.96457 -0.00006 -0.00405 0.00039 -0.00598 1.95858 A45 1.90911 0.00016 -0.00398 0.00284 -0.00074 1.90837 A46 1.91974 -0.00015 0.00039 -0.00153 -0.00021 1.91953 A47 1.89512 -0.00011 -0.00364 -0.00068 -0.00366 1.89146 A48 1.91889 0.00018 0.01150 -0.00135 0.01084 1.92974 A49 1.85285 -0.00002 -0.00008 0.00037 -0.00005 1.85281 A50 1.94074 -0.00009 -0.01640 0.00387 -0.01371 1.92704 A51 1.91901 0.00005 0.00454 -0.00057 0.00441 1.92342 A52 1.91191 -0.00006 0.00405 -0.00193 0.00233 1.91423 A53 1.91683 0.00018 -0.00029 0.00088 0.00113 1.91795 A54 1.92005 0.00001 0.00602 -0.00127 0.00489 1.92495 A55 1.85332 -0.00009 0.00317 -0.00123 0.00172 1.85504 A56 1.96429 0.00023 -0.00230 0.00186 -0.00197 1.96232 A57 1.90580 -0.00010 -0.00403 0.00096 -0.00261 1.90319 A58 1.90727 0.00009 0.00762 -0.00189 0.00618 1.91345 A59 1.90559 -0.00000 -0.00261 0.00098 -0.00137 1.90421 A60 1.92183 -0.00030 0.00286 -0.00313 0.00033 1.92216 A61 1.85585 0.00008 -0.00155 0.00123 -0.00054 1.85531 A62 1.94753 0.00005 -0.00430 0.00105 -0.00421 1.94332 A63 1.88665 0.00023 0.00233 0.00056 0.00314 1.88979 A64 1.91872 -0.00005 0.00301 -0.00091 0.00227 1.92099 A65 1.92798 -0.00040 0.01228 -0.00704 0.00516 1.93314 A66 1.91802 0.00015 -0.00946 0.00448 -0.00434 1.91368 A67 1.86281 0.00002 -0.00344 0.00179 -0.00176 1.86105 D1 -3.13336 0.00056 -0.00808 0.00737 -0.00070 -3.13407 D2 1.06882 0.00061 -0.00854 0.00791 -0.00063 1.06819 D3 -1.02400 0.00065 -0.00984 0.00880 -0.00103 -1.02503 D4 -1.05448 -0.00041 0.00476 -0.00331 0.00145 -1.05303 D5 -3.13548 -0.00037 0.00429 -0.00277 0.00152 -3.13396 D6 1.05488 -0.00033 0.00300 -0.00188 0.00112 1.05600 D7 0.99760 -0.00026 0.00489 -0.00343 0.00145 0.99904 D8 -1.08341 -0.00022 0.00442 -0.00289 0.00152 -1.08189 D9 3.10696 -0.00018 0.00313 -0.00200 0.00112 3.10808 D10 -1.07159 -0.00032 0.01227 -0.00645 0.00581 -1.06579 D11 3.07720 -0.00002 0.00372 0.00058 0.00429 3.08149 D12 1.07492 0.00039 -0.00086 0.00421 0.00337 1.07829 D13 1.66775 -0.00008 -0.01072 -0.00343 -0.01418 1.65357 D14 -1.42893 -0.00004 -0.00637 -0.00139 -0.00775 -1.43668 D15 -2.48202 -0.00001 -0.00564 -0.00772 -0.01336 -2.49538 D16 0.70449 0.00003 -0.00128 -0.00567 -0.00693 0.69755 D17 -0.42592 -0.00021 -0.00646 -0.00678 -0.01325 -0.43917 D18 2.76059 -0.00017 -0.00210 -0.00474 -0.00682 2.75376 D19 3.12270 -0.00061 0.05068 -0.03401 0.01676 3.13946 D20 0.02875 -0.00077 0.01545 -0.02981 -0.01427 0.01447 D21 -0.03712 0.00064 0.01965 0.01725 0.03699 -0.00013 D22 -3.13107 0.00048 -0.01559 0.02144 0.00595 -3.12512 D23 3.13530 0.00088 -0.05795 0.04830 -0.00962 3.12568 D24 0.01198 0.00074 -0.03634 0.03647 0.00027 0.01225 D25 0.01310 -0.00045 -0.02498 -0.00630 -0.03115 -0.01805 D26 -3.11022 -0.00059 -0.00337 -0.01813 -0.02125 -3.13147 D27 -3.09398 0.00005 -0.02934 0.01209 -0.01735 -3.11133 D28 0.04716 -0.00049 -0.00112 -0.01906 -0.02019 0.02697 D29 0.00043 0.00020 0.00533 0.00798 0.01336 0.01379 D30 3.14157 -0.00034 0.03355 -0.02317 0.01052 -3.13110 D31 -3.13005 0.00021 -0.00822 0.01229 0.00405 -3.12600 D32 -0.03380 0.00013 -0.01242 0.01007 -0.00237 -0.03618 D33 0.01109 -0.00034 0.02051 -0.01932 0.00117 0.01226 D34 3.10733 -0.00042 0.01630 -0.02153 -0.00525 3.10208 D35 3.11122 -0.00006 0.00135 -0.00370 -0.00239 3.10883 D36 -0.04578 -0.00001 0.00091 -0.00061 0.00034 -0.04544 D37 0.01611 -0.00003 0.00587 -0.00159 0.00427 0.02038 D38 -3.14089 0.00003 0.00543 0.00150 0.00701 -3.13389 D39 -0.00475 0.00020 0.01394 -0.00041 0.01354 0.00879 D40 3.11673 0.00034 -0.00999 0.01252 0.00278 3.11951 D41 -3.12958 0.00014 0.01441 -0.00377 0.01057 -3.11901 D42 -0.00810 0.00028 -0.00952 0.00915 -0.00019 -0.00829 D43 -2.77424 0.00011 -0.04130 0.02889 -0.01276 -2.78701 D44 1.32787 0.00014 -0.04315 0.02188 -0.02092 1.30695 D45 -0.70268 0.00007 -0.04411 0.02577 -0.01841 -0.72110 D46 0.38743 -0.00004 -0.01750 0.01591 -0.00190 0.38553 D47 -1.79365 -0.00001 -0.01936 0.00890 -0.01005 -1.80370 D48 2.45899 -0.00008 -0.02031 0.01279 -0.00755 2.45144 D49 -2.98583 0.00010 0.06172 0.00427 0.06594 -2.91989 D50 -0.88276 -0.00017 0.07291 -0.00201 0.07064 -0.81211 D51 1.15114 -0.00010 0.07584 -0.00253 0.07351 1.22465 D52 -0.78331 0.00027 0.06250 0.01112 0.07378 -0.70954 D53 1.31976 -0.00000 0.07369 0.00485 0.07848 1.39824 D54 -2.92953 0.00007 0.07662 0.00433 0.08134 -2.84818 D55 1.25304 0.00027 0.06410 0.00763 0.07151 1.32456 D56 -2.92707 -0.00000 0.07529 0.00136 0.07621 -2.85086 D57 -0.89317 0.00006 0.07822 0.00084 0.07908 -0.81409 D58 -2.95359 -0.00013 0.01805 0.00251 0.02011 -2.93348 D59 1.20624 0.00018 0.00392 0.01024 0.01424 1.22048 D60 -0.82093 0.00006 0.00513 0.00828 0.01333 -0.80759 D61 1.10391 -0.00028 0.02113 -0.00484 0.01532 1.11923 D62 -1.01945 0.00004 0.00700 0.00289 0.00945 -1.01000 D63 -3.04662 -0.00008 0.00821 0.00093 0.00854 -3.03808 D64 -0.94242 -0.00023 0.01963 -0.00153 0.01774 -0.92467 D65 -3.06578 0.00008 0.00550 0.00620 0.01188 -3.05390 D66 1.19024 -0.00004 0.00672 0.00424 0.01097 1.20121 D67 -0.24853 -0.00015 -0.09793 -0.00638 -0.10428 -0.35282 D68 1.85977 -0.00021 -0.10804 -0.00502 -0.11331 1.74646 D69 -2.39480 -0.00023 -0.11022 -0.00380 -0.11391 -2.50871 D70 -2.36657 -0.00027 -0.11076 -0.00387 -0.11437 -2.48094 D71 -0.25826 -0.00033 -0.12087 -0.00251 -0.12340 -0.38166 D72 1.77035 -0.00035 -0.12305 -0.00129 -0.12400 1.64635 D73 1.88645 -0.00011 -0.10822 -0.00329 -0.11167 1.77478 D74 -2.28843 -0.00018 -0.11833 -0.00193 -0.12069 -2.40913 D75 -0.25982 -0.00019 -0.12051 -0.00071 -0.12130 -0.38111 D76 1.02695 -0.00010 0.05627 -0.00343 0.05228 1.07923 D77 -3.12946 0.00010 0.04799 -0.00013 0.04756 -3.08190 D78 -1.09908 -0.00002 0.05673 -0.00307 0.05356 -1.04551 D79 -1.08936 -0.00019 0.06648 -0.00680 0.05953 -1.02983 D80 1.03742 0.00001 0.05820 -0.00349 0.05480 1.09222 D81 3.06780 -0.00010 0.06694 -0.00643 0.06081 3.12861 D82 -3.10950 -0.00021 0.06232 -0.00611 0.05571 -3.05379 D83 -0.98272 -0.00001 0.05405 -0.00281 0.05099 -0.93173 D84 1.04766 -0.00012 0.06279 -0.00575 0.05699 1.10466 D85 -0.70698 0.00008 0.02902 0.00975 0.03928 -0.66769 D86 1.41210 0.00015 0.02133 0.01289 0.03443 1.44654 D87 -2.84779 0.00024 0.02149 0.01385 0.03577 -2.81202 D88 -2.83502 -0.00005 0.03451 0.00730 0.04204 -2.79298 D89 -0.71594 0.00003 0.02682 0.01044 0.03719 -0.67875 D90 1.30735 0.00011 0.02699 0.01140 0.03853 1.34588 D91 1.41430 -0.00006 0.02735 0.00902 0.03641 1.45071 D92 -2.74981 0.00002 0.01966 0.01216 0.03155 -2.71825 D93 -0.72651 0.00010 0.01982 0.01312 0.03289 -0.69363 D94 -0.32979 -0.00011 -0.05682 -0.00679 -0.06346 -0.39325 D95 1.76947 -0.00006 -0.04847 -0.01015 -0.05881 1.71067 D96 -2.46285 -0.00019 -0.05096 -0.00946 -0.06052 -2.52337 D97 -2.44899 -0.00013 -0.04833 -0.00992 -0.05790 -2.50689 D98 -0.34973 -0.00007 -0.03998 -0.01328 -0.05324 -0.40297 D99 1.70113 -0.00020 -0.04246 -0.01259 -0.05496 1.64617 D100 1.80282 -0.00005 -0.04657 -0.01019 -0.05664 1.74618 D101 -2.38110 0.00000 -0.03822 -0.01354 -0.05198 -2.43309 D102 -0.33024 -0.00013 -0.04071 -0.01286 -0.05370 -0.38394 Item Value Threshold Converged? Maximum Force 0.001589 0.000450 NO RMS Force 0.000320 0.000300 NO Maximum Displacement 0.225656 0.001800 NO RMS Displacement 0.044547 0.001200 NO Predicted change in Energy=-2.434463D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.844910 -4.967573 1.604016 2 6 0 7.218919 -5.461985 2.993042 3 8 0 6.502901 -6.023644 0.753925 4 8 0 2.590231 -1.572259 1.813208 5 6 0 3.472157 -2.381100 1.769372 6 7 0 4.792058 -1.959639 1.739211 7 6 0 5.924601 -2.723579 1.691171 8 8 0 7.023510 -2.243273 1.699285 9 7 0 5.689641 -4.071894 1.637751 10 6 0 4.403508 -4.581926 1.677128 11 6 0 3.296778 -3.840661 1.745573 12 1 0 7.655737 -4.392682 1.186966 13 1 0 7.471423 -4.623763 3.631181 14 1 0 8.083371 -6.118266 2.940366 15 1 0 4.942154 -0.973300 1.769120 16 1 0 4.373740 -5.648433 1.634690 17 6 0 1.870101 -4.371123 1.762986 18 1 0 6.397589 -6.013935 3.437301 19 1 0 7.242349 -6.603925 0.659071 20 6 0 1.749499 -5.832227 2.225552 21 6 0 0.349511 -6.421515 1.931707 22 6 0 -0.704575 -5.332980 1.726431 23 6 0 -0.345424 -4.461251 0.513206 24 6 0 1.174632 -4.198407 0.404705 25 1 0 1.341143 -3.748605 2.474673 26 1 0 2.489863 -6.447909 1.726062 27 1 0 1.967302 -5.889617 3.288477 28 1 0 0.395974 -7.027932 1.030382 29 1 0 0.053842 -7.092659 2.732580 30 1 0 -1.683865 -5.781258 1.582618 31 1 0 -0.777945 -4.721193 2.621582 32 1 0 -0.686337 -4.956039 -0.392328 33 1 0 -0.884438 -3.520258 0.567736 34 1 0 1.634990 -4.883893 -0.304019 35 1 0 1.345150 -3.198297 0.024273 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521092 0.000000 3 O 1.398181 2.416979 0.000000 4 O 5.447404 6.160092 6.020456 0.000000 5 C 4.253545 5.002744 4.846098 1.197472 0.000000 6 N 3.644193 4.441641 4.518175 2.236869 1.385885 7 C 2.426948 3.296817 3.478978 3.529654 2.477476 8 O 2.731810 3.474493 3.931405 4.485221 3.554718 9 N 1.462198 2.471408 2.291695 3.985637 2.791656 10 C 2.472754 3.229966 2.708931 3.516331 2.391560 11 C 3.725481 4.423580 4.003499 2.376854 1.470253 12 H 1.077901 2.143858 2.043671 5.831493 4.678461 13 H 2.149447 1.083327 3.343098 6.036783 4.948738 14 H 2.154928 1.086626 2.699512 7.218813 6.049871 15 H 4.427409 5.179763 5.382613 2.427394 2.035385 16 H 2.563434 3.158311 2.334493 4.452861 3.392117 17 C 5.012957 5.595790 5.021141 2.890459 2.554763 18 H 2.157754 1.084711 2.685459 6.071420 4.953547 19 H 1.930940 2.598460 0.944726 6.949238 5.768828 20 C 5.205491 5.535402 4.979674 4.361673 3.884061 21 C 6.664198 7.016830 6.277713 5.343234 5.109034 22 C 7.559313 8.025130 7.305511 5.000629 5.114736 23 C 7.290207 8.023113 7.028411 4.319068 4.525362 24 C 5.846538 6.695485 5.643039 3.299159 3.231647 25 H 5.703979 6.144317 5.897501 2.595041 2.628448 26 H 4.601382 4.994122 4.150846 4.877462 4.183983 27 H 5.242006 5.277275 5.197458 4.604785 4.108766 28 H 6.794329 7.270268 6.195125 5.932280 5.621571 29 H 7.204738 7.352909 6.829952 6.144374 5.900122 30 H 8.567528 9.019468 8.232170 6.003061 6.179038 31 H 7.694417 8.039688 7.628580 4.681224 4.926018 32 H 7.791354 8.614510 7.357909 5.200986 5.347554 33 H 7.931671 8.678526 7.802203 4.173634 4.660636 34 H 5.548951 6.510381 5.110267 4.045004 3.733378 35 H 5.989431 6.959817 5.925991 2.719286 2.870077 6 7 8 9 10 6 N 0.000000 7 C 1.366954 0.000000 8 O 2.249760 1.199317 0.000000 9 N 2.297296 1.369676 2.264255 0.000000 10 C 2.651643 2.401536 3.512008 1.384132 0.000000 11 C 2.402946 2.855921 4.054914 2.406426 1.333795 12 H 3.798069 2.457022 2.298291 2.042460 3.294399 13 H 4.225649 3.125220 3.098319 2.730031 3.637607 14 H 5.437802 4.212444 4.204660 3.407989 4.183003 15 H 0.998143 2.008669 2.439211 3.190185 3.649765 16 H 3.713909 3.311062 4.315157 2.053554 1.067766 17 C 3.788621 4.377045 5.575789 3.833289 2.543611 18 H 4.679589 3.754881 4.198853 2.740637 3.020798 19 H 5.360972 4.225965 4.488343 3.127283 3.630970 20 C 4.948801 5.232660 6.400995 4.355341 2.984591 21 C 6.299335 6.694342 7.877436 5.841585 4.459124 22 C 6.449230 7.124337 8.322879 6.517990 5.163237 23 C 5.844217 6.612134 7.786360 6.151277 4.890974 24 C 4.458560 5.137345 6.301417 4.682063 3.491673 25 H 3.956023 4.761580 5.929296 4.440089 3.272397 26 H 5.044288 5.066485 6.183336 3.986455 2.673261 27 H 5.081752 5.313699 6.433242 4.459240 3.200250 28 H 6.746524 7.037742 8.201502 6.093436 4.739362 29 H 7.055875 7.391834 8.553393 6.487365 5.131993 30 H 7.521095 8.200606 9.399433 7.569251 6.205113 31 H 6.279306 7.055511 8.237318 6.574129 5.268665 32 H 6.598082 7.282125 8.436569 6.749521 5.507189 33 H 6.002540 6.946928 8.089916 6.683393 5.506383 34 H 4.763730 5.200817 6.326314 4.568370 3.417721 35 H 4.044313 4.896456 5.996792 4.716046 3.741646 11 12 13 14 15 11 C 0.000000 12 H 4.429141 0.000000 13 H 4.647196 2.462023 0.000000 14 H 5.433829 2.496983 1.756487 0.000000 15 H 3.305992 4.403931 4.815637 6.140826 0.000000 16 H 2.107174 3.542439 3.825124 3.960669 4.711479 17 C 1.522202 5.814279 5.910058 6.560751 4.580693 18 H 4.147299 3.045555 1.767283 1.760594 5.505372 19 H 4.937980 2.310662 3.578680 2.479413 6.182802 20 C 2.567252 6.167219 6.014698 6.380495 5.831856 21 C 3.921968 7.619169 7.539348 7.805252 7.127542 22 C 4.270621 8.430302 8.424845 8.906083 7.134016 23 C 3.894803 8.029771 8.417320 8.926443 6.457678 24 C 2.535628 6.531033 7.088064 7.605663 5.143653 25 H 2.089155 6.476660 6.299504 7.161691 4.600805 26 H 2.729328 5.585770 5.636748 5.733283 5.998911 27 H 2.888993 6.246235 5.658197 6.130234 5.943767 28 H 4.368621 7.724844 7.912406 7.973180 7.607369 29 H 4.697479 8.213867 7.869146 8.091104 7.891160 30 H 5.347829 9.450547 9.452815 9.866912 8.188735 31 H 4.259823 8.561134 8.311489 8.976433 6.891511 32 H 4.656167 8.508921 9.102093 9.453328 7.225924 33 H 4.355746 8.606924 8.967878 9.633308 6.471437 34 H 2.837375 6.222034 7.043964 7.323342 5.525213 35 H 2.680366 6.527015 7.250722 7.901484 4.575319 16 17 18 19 20 16 H 0.000000 17 C 2.813572 0.000000 18 H 2.734769 5.099049 0.000000 19 H 3.177061 5.921578 2.963152 0.000000 20 C 2.696207 1.537315 4.806879 5.763747 0.000000 21 C 4.108563 2.558275 6.245973 7.011712 1.547118 22 C 5.088929 2.748720 7.336996 8.118384 2.553595 23 C 4.993759 2.545314 7.511948 7.885850 3.033217 24 C 3.721522 1.535719 6.306508 6.532106 2.513030 25 H 3.675808 1.083432 5.623701 6.802463 2.137826 26 H 2.048536 2.167604 4.288005 4.873288 1.084754 27 H 2.929867 2.154621 4.434529 5.937182 1.086527 28 H 4.253331 3.125443 6.545290 6.869535 2.165680 29 H 4.685368 3.412575 6.473284 7.497529 2.172791 30 H 6.059284 3.827752 8.294810 9.011494 3.493415 31 H 5.326686 2.805688 7.336543 8.468840 2.789124 32 H 5.494778 3.394537 8.122020 8.166091 3.681616 33 H 5.771997 3.120910 8.214666 8.692641 3.877006 34 H 3.441491 2.142597 6.160910 5.943781 2.703919 35 H 4.215326 2.161995 6.715930 6.839462 3.456403 21 22 23 24 25 21 C 0.000000 22 C 1.529099 0.000000 23 C 2.517481 1.536494 0.000000 24 C 2.820420 2.562349 1.546425 0.000000 25 H 2.902171 2.693524 2.683230 2.124809 0.000000 26 H 2.150371 3.383416 3.668335 2.921656 3.027576 27 H 2.177381 3.144640 3.884720 3.435790 2.374508 28 H 1.087330 2.137418 2.721211 3.000665 3.705847 29 H 1.085934 2.164256 3.465449 3.879674 3.592542 30 H 2.160187 1.086575 2.162749 3.473313 3.752081 31 H 2.153644 1.086721 2.167923 3.000067 2.336245 32 H 2.936280 2.152104 1.086752 2.161591 3.713255 33 H 3.435162 2.158908 1.085808 2.173991 2.939687 34 H 3.002534 3.130171 2.183695 1.088169 3.016016 35 H 3.875402 3.414028 2.166137 1.083525 2.511437 26 27 28 29 30 26 H 0.000000 27 H 1.739511 0.000000 28 H 2.281396 2.977217 0.000000 29 H 2.713482 2.327587 1.737447 0.000000 30 H 4.229067 4.031465 2.486944 2.462074 0.000000 31 H 3.802903 3.057179 3.038264 2.515560 1.738930 32 H 4.098964 4.632676 2.736465 3.857209 2.361453 33 H 4.615059 4.598773 3.762615 4.281234 2.604072 34 H 2.701516 3.745389 2.812951 4.074263 3.921666 35 H 3.842712 4.276132 4.071768 4.916143 4.274934 31 32 33 34 35 31 H 0.000000 32 H 3.024433 0.000000 33 H 2.381568 1.738515 0.000000 34 H 3.795770 2.324127 2.994491 0.000000 35 H 3.684122 2.718484 2.317342 1.741556 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.058078 -1.191613 -0.311722 2 6 0 3.450817 -1.819246 1.017018 3 8 0 2.508473 -2.133895 -1.186336 4 8 0 -0.632974 2.751074 0.399312 5 6 0 0.116811 1.830060 0.246033 6 7 0 1.478744 2.061886 0.136156 7 6 0 2.482122 1.150092 -0.038283 8 8 0 3.637132 1.468899 -0.090001 9 7 0 2.050447 -0.145558 -0.142978 10 6 0 0.709593 -0.470237 -0.031096 11 6 0 -0.270203 0.414239 0.160503 12 1 0 3.913280 -0.712239 -0.759718 13 1 0 3.865825 -1.066389 1.676238 14 1 0 4.204936 -2.586511 0.864156 15 1 0 1.772397 3.013346 0.205291 16 1 0 0.522179 -1.517125 -0.126106 17 6 0 -1.754250 0.090593 0.260279 18 1 0 2.590456 -2.276160 1.494098 19 1 0 3.147370 -2.805791 -1.367650 20 6 0 -2.053982 -1.364711 0.654725 21 6 0 -3.541647 -1.730907 0.439493 22 6 0 -4.437798 -0.493749 0.372420 23 6 0 -4.039961 0.392184 -0.818236 24 6 0 -2.508936 0.443886 -1.029708 25 1 0 -2.136842 0.736157 1.041749 26 1 0 -1.447153 -2.046569 0.068619 27 1 0 -1.774276 -1.518228 1.693348 28 1 0 -3.645964 -2.280617 -0.492829 29 1 0 -3.876010 -2.402005 1.225038 30 1 0 -5.479420 -0.789379 0.281469 31 1 0 -4.359681 0.065452 1.300943 32 1 0 -4.510662 0.007751 -1.719168 33 1 0 -4.431344 1.394661 -0.673883 34 1 0 -2.203006 -0.254383 -1.806199 35 1 0 -2.221340 1.431565 -1.370010 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8126860 0.2821785 0.2274273 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1276.6217195131 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.44D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999999 -0.001465 -0.000477 0.000124 Ang= -0.18 deg. 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) = -798.431005424 A.U. after 11 cycles NFock= 11 Conv=0.64D-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 0.001479279 -0.000127636 -0.000320215 2 6 -0.000674738 0.000385647 0.000465227 3 8 -0.004112691 0.002672904 0.000344515 4 8 0.000400511 -0.001196651 0.000514879 5 6 -0.000595669 0.000182621 0.000045709 6 7 -0.000168489 0.000449377 0.000209052 7 6 0.000672996 -0.000189756 -0.001057168 8 8 -0.000550049 0.000536106 0.000465159 9 7 0.000317069 -0.001503020 -0.000011001 10 6 -0.000288623 -0.000332288 0.000744401 11 6 -0.000756820 -0.000969327 -0.001495465 12 1 -0.000673504 0.000358620 0.000033646 13 1 0.000045196 -0.000128993 0.000178293 14 1 -0.000185191 0.000205394 -0.000196805 15 1 0.000063329 0.000147291 0.000000425 16 1 0.000136465 -0.000064606 -0.000109972 17 6 0.004349214 0.001907037 0.000433145 18 1 0.000079096 -0.000036240 0.000123420 19 1 0.002420244 -0.001730142 -0.000176646 20 6 -0.000577741 -0.000130758 0.001186158 21 6 -0.000261640 -0.000829851 -0.000017212 22 6 -0.000255417 -0.000982688 -0.000433764 23 6 -0.000044766 -0.000571280 -0.000938568 24 6 -0.000359211 0.002058575 -0.001293687 25 1 -0.000274721 0.000685005 0.000567338 26 1 -0.000530836 -0.000734054 -0.000116162 27 1 0.000107754 0.000423584 -0.000002324 28 1 -0.000350191 0.000000391 -0.000038810 29 1 0.000321262 0.000209679 -0.000076836 30 1 0.000342844 0.000128968 0.000239100 31 1 -0.000075608 -0.000123464 0.000075642 32 1 -0.000023196 0.000375059 -0.000088069 33 1 0.000624826 0.000005996 0.000543842 34 1 -0.000816348 -0.000452157 0.000095470 35 1 0.000215363 -0.000629342 0.000107284 ------------------------------------------------------------------- Cartesian Forces: Max 0.004349214 RMS 0.000910733 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002974798 RMS 0.000556891 Search for a local minimum. Step number 17 out of a maximum of 210 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 DE= -1.88D-04 DEPred=-2.43D-04 R= 7.72D-01 TightC=F SS= 1.41D+00 RLast= 5.00D-01 DXNew= 5.0454D+00 1.4999D+00 Trust test= 7.72D-01 RLast= 5.00D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00060 0.00286 0.00442 0.00501 0.00572 Eigenvalues --- 0.00770 0.01454 0.01457 0.01604 0.01751 Eigenvalues --- 0.01885 0.01928 0.01943 0.02038 0.02281 Eigenvalues --- 0.02527 0.03196 0.03468 0.03626 0.03950 Eigenvalues --- 0.04352 0.04524 0.04732 0.04817 0.04938 Eigenvalues --- 0.05180 0.05246 0.05342 0.05426 0.05648 Eigenvalues --- 0.05729 0.06227 0.06445 0.06746 0.07932 Eigenvalues --- 0.08141 0.08210 0.08237 0.08289 0.08455 Eigenvalues --- 0.08915 0.09753 0.12037 0.12477 0.15541 Eigenvalues --- 0.15967 0.15993 0.16016 0.16088 0.16148 Eigenvalues --- 0.16287 0.18545 0.19347 0.19615 0.20672 Eigenvalues --- 0.20818 0.22671 0.23862 0.24974 0.25030 Eigenvalues --- 0.25169 0.25515 0.26553 0.27084 0.27786 Eigenvalues --- 0.28626 0.28978 0.29564 0.29971 0.30372 Eigenvalues --- 0.33012 0.34598 0.34723 0.34767 0.34791 Eigenvalues --- 0.34795 0.34803 0.34807 0.34824 0.34836 Eigenvalues --- 0.34842 0.34875 0.34918 0.34947 0.35033 Eigenvalues --- 0.35277 0.36159 0.37508 0.38724 0.43145 Eigenvalues --- 0.44459 0.45983 0.47894 0.49664 0.52262 Eigenvalues --- 0.56684 0.64002 0.87848 0.96587 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 17 16 15 14 13 RFO step: Lambda=-2.74432145D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.27490 0.35565 -0.47214 -0.20551 0.04710 Iteration 1 RMS(Cart)= 0.03024856 RMS(Int)= 0.00085383 Iteration 2 RMS(Cart)= 0.00085415 RMS(Int)= 0.00053895 Iteration 3 RMS(Cart)= 0.00000042 RMS(Int)= 0.00053895 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87445 0.00020 -0.00048 0.00060 0.00013 2.87457 R2 2.64218 -0.00040 0.00018 -0.00038 -0.00020 2.64198 R3 2.76315 -0.00227 0.00350 -0.00497 -0.00147 2.76168 R4 2.03694 -0.00033 0.00077 -0.00091 -0.00015 2.03679 R5 2.04719 0.00002 -0.00005 0.00006 0.00001 2.04720 R6 2.05343 -0.00026 0.00039 -0.00059 -0.00020 2.05323 R7 2.04981 0.00001 0.00006 -0.00003 0.00004 2.04984 R8 1.78527 0.00297 -0.00491 0.00697 0.00205 1.78733 R9 2.26289 -0.00108 0.00063 -0.00095 -0.00032 2.26258 R10 2.61894 -0.00038 0.00114 -0.00117 -0.00003 2.61891 R11 2.77838 -0.00086 0.00078 -0.00089 -0.00013 2.77824 R12 2.58317 -0.00008 -0.00102 0.00042 -0.00058 2.58259 R13 1.88622 0.00016 -0.00047 0.00057 0.00011 1.88632 R14 2.26638 -0.00029 0.00026 -0.00028 -0.00002 2.26636 R15 2.58831 0.00078 -0.00088 0.00123 0.00038 2.58869 R16 2.61563 -0.00046 -0.00051 -0.00021 -0.00072 2.61491 R17 2.52051 -0.00108 0.00179 -0.00189 -0.00013 2.52038 R18 2.01779 0.00007 -0.00019 0.00012 -0.00007 2.01772 R19 2.87654 -0.00271 0.00921 -0.00985 -0.00065 2.87590 R20 2.90510 0.00144 0.00124 0.00248 0.00335 2.90846 R21 2.90209 0.00146 -0.00286 0.00290 0.00024 2.90233 R22 2.04739 0.00090 -0.00171 0.00241 0.00071 2.04810 R23 2.92363 0.00040 -0.00499 0.00165 -0.00371 2.91992 R24 2.04989 0.00011 -0.00178 0.00109 -0.00069 2.04920 R25 2.05324 -0.00000 0.00085 -0.00060 0.00025 2.05349 R26 2.88958 -0.00030 -0.00027 -0.00090 -0.00099 2.88858 R27 2.05476 0.00002 0.00061 -0.00005 0.00056 2.05532 R28 2.05212 -0.00027 0.00064 -0.00069 -0.00005 2.05207 R29 2.90355 0.00073 0.00136 0.00133 0.00285 2.90640 R30 2.05333 -0.00039 0.00051 -0.00081 -0.00030 2.05303 R31 2.05361 -0.00000 -0.00008 0.00043 0.00036 2.05396 R32 2.92232 -0.00011 -0.00143 -0.00052 -0.00173 2.92059 R33 2.05366 -0.00009 0.00053 -0.00037 0.00016 2.05383 R34 2.05188 -0.00028 0.00038 -0.00059 -0.00021 2.05167 R35 2.05634 -0.00012 -0.00060 0.00026 -0.00034 2.05600 R36 2.04757 -0.00058 0.00098 -0.00133 -0.00035 2.04721 A1 1.94964 0.00093 -0.00129 0.00257 0.00125 1.95090 A2 1.95229 0.00000 0.00149 -0.00267 -0.00118 1.95111 A3 1.91954 0.00009 -0.00312 0.00486 0.00172 1.92126 A4 1.85817 -0.00151 0.00577 -0.00930 -0.00353 1.85464 A5 1.93008 0.00030 -0.00306 0.00487 0.00179 1.93187 A6 1.85100 0.00010 0.00056 -0.00083 -0.00026 1.85074 A7 1.92168 0.00035 -0.00139 0.00194 0.00055 1.92223 A8 1.92586 -0.00042 0.00124 -0.00219 -0.00095 1.92491 A9 1.93181 0.00023 -0.00100 0.00132 0.00031 1.93212 A10 1.88646 -0.00001 0.00031 -0.00039 -0.00008 1.88638 A11 1.90599 -0.00020 0.00046 -0.00044 0.00002 1.90601 A12 1.89115 0.00005 0.00044 -0.00030 0.00014 1.89129 A13 1.91084 -0.00032 0.00024 -0.00103 -0.00080 1.91004 A14 2.09071 0.00048 -0.00231 0.00111 -0.00115 2.08956 A15 2.19356 -0.00091 0.00290 -0.00245 0.00050 2.19407 A16 1.99891 0.00043 -0.00062 0.00132 0.00065 1.99956 A17 2.23938 -0.00062 0.00235 -0.00235 -0.00025 2.23914 A18 2.02982 0.00035 -0.00241 0.00214 -0.00051 2.02932 A19 2.01387 0.00027 0.00100 0.00009 0.00086 2.01473 A20 2.13542 -0.00071 0.00286 -0.00314 -0.00031 2.13511 A21 1.99258 -0.00024 -0.00079 0.00030 -0.00049 1.99209 A22 2.15518 0.00095 -0.00200 0.00284 0.00080 2.15598 A23 2.05824 0.00075 -0.00241 0.00253 0.00011 2.05835 A24 2.10492 -0.00126 0.00337 -0.00422 -0.00086 2.10406 A25 2.11885 0.00051 -0.00110 0.00180 0.00069 2.11954 A26 2.17449 -0.00078 0.00305 -0.00316 -0.00017 2.17432 A27 1.97450 0.00024 -0.00156 0.00101 -0.00052 1.97398 A28 2.13413 0.00053 -0.00148 0.00209 0.00064 2.13477 A29 2.04156 0.00071 -0.00272 0.00232 -0.00052 2.04104 A30 2.04605 -0.00224 0.00506 -0.00623 -0.00117 2.04488 A31 2.19519 0.00154 -0.00249 0.00423 0.00175 2.19694 A32 1.99125 0.00090 -0.00152 0.00463 0.00418 1.99543 A33 1.95534 -0.00026 0.00430 -0.00129 0.00356 1.95890 A34 1.83886 -0.00033 -0.00047 -0.00286 -0.00367 1.83519 A35 1.91505 -0.00028 0.00564 -0.00255 0.00124 1.91628 A36 1.88614 -0.00021 -0.00403 0.00089 -0.00318 1.88297 A37 1.87053 0.00013 -0.00479 0.00112 -0.00318 1.86735 A38 1.95611 0.00052 -0.00142 0.00163 -0.00367 1.95244 A39 1.92554 0.00046 0.00535 0.00482 0.01126 1.93679 A40 1.90586 -0.00052 0.00037 -0.00476 -0.00324 1.90263 A41 1.89017 -0.00095 0.00091 -0.00551 -0.00334 1.88682 A42 1.92525 0.00031 -0.00406 0.00311 0.00010 1.92535 A43 1.85841 0.00017 -0.00101 0.00074 -0.00088 1.85753 A44 1.95858 -0.00031 -0.00399 0.00042 -0.00659 1.95199 A45 1.90837 0.00025 -0.00174 0.00260 0.00136 1.90973 A46 1.91953 -0.00002 0.00012 -0.00247 -0.00109 1.91845 A47 1.89146 -0.00007 -0.00326 0.00126 -0.00114 1.89033 A48 1.92974 0.00020 0.00885 -0.00210 0.00766 1.93739 A49 1.85281 -0.00004 0.00016 0.00042 0.00013 1.85294 A50 1.92704 0.00049 -0.01042 0.00419 -0.00774 1.91930 A51 1.92342 -0.00014 0.00332 0.00007 0.00401 1.92743 A52 1.91423 -0.00026 0.00185 -0.00255 -0.00044 1.91380 A53 1.91795 0.00011 0.00073 0.00080 0.00228 1.92023 A54 1.92495 -0.00023 0.00341 -0.00123 0.00232 1.92726 A55 1.85504 0.00001 0.00175 -0.00153 -0.00006 1.85498 A56 1.96232 0.00026 -0.00167 0.00126 -0.00241 1.95990 A57 1.90319 0.00005 -0.00366 0.00452 0.00146 1.90464 A58 1.91345 -0.00003 0.00604 -0.00405 0.00258 1.91603 A59 1.90421 -0.00003 -0.00139 0.00066 -0.00038 1.90384 A60 1.92216 -0.00039 0.00115 -0.00377 -0.00182 1.92034 A61 1.85531 0.00016 -0.00046 0.00151 0.00076 1.85607 A62 1.94332 -0.00005 -0.00179 -0.00203 -0.00490 1.93842 A63 1.88979 0.00053 -0.00007 0.00413 0.00437 1.89416 A64 1.92099 -0.00027 0.00373 -0.00300 0.00102 1.92201 A65 1.93314 -0.00075 0.00426 -0.00516 -0.00108 1.93207 A66 1.91368 0.00045 -0.00439 0.00402 0.00045 1.91414 A67 1.86105 0.00009 -0.00158 0.00217 0.00042 1.86147 D1 -3.13407 0.00074 -0.00435 0.00791 0.00357 -3.13050 D2 1.06819 0.00080 -0.00464 0.00855 0.00392 1.07211 D3 -1.02503 0.00087 -0.00535 0.00950 0.00416 -1.02087 D4 -1.05303 -0.00054 0.00313 -0.00401 -0.00088 -1.05392 D5 -3.13396 -0.00049 0.00284 -0.00337 -0.00053 -3.13450 D6 1.05600 -0.00042 0.00213 -0.00243 -0.00029 1.05571 D7 0.99904 -0.00036 0.00274 -0.00357 -0.00083 0.99821 D8 -1.08189 -0.00030 0.00246 -0.00294 -0.00048 -1.08237 D9 3.10808 -0.00023 0.00175 -0.00199 -0.00024 3.10784 D10 -1.06579 -0.00047 0.00763 -0.00667 0.00096 -1.06483 D11 3.08149 -0.00003 0.00278 0.00121 0.00398 3.08548 D12 1.07829 0.00053 0.00047 0.00487 0.00535 1.08364 D13 1.65357 -0.00005 -0.00721 -0.00131 -0.00854 1.64503 D14 -1.43668 -0.00010 -0.00370 -0.00356 -0.00727 -1.44395 D15 -2.49538 0.00010 -0.00413 -0.00590 -0.01003 -2.50541 D16 0.69755 0.00005 -0.00062 -0.00815 -0.00876 0.68879 D17 -0.43917 -0.00022 -0.00461 -0.00519 -0.00981 -0.44897 D18 2.75376 -0.00028 -0.00110 -0.00745 -0.00853 2.74523 D19 3.13946 -0.00024 0.02896 -0.01741 0.01160 -3.13212 D20 0.01447 -0.00018 0.00511 -0.00840 -0.00323 0.01124 D21 -0.00013 -0.00003 0.01717 -0.00822 0.00901 0.00888 D22 -3.12512 0.00003 -0.00668 0.00079 -0.00582 -3.13095 D23 3.12568 0.00048 -0.02971 0.02211 -0.00757 3.11811 D24 0.01225 0.00014 -0.02011 0.01028 -0.00976 0.00250 D25 -0.01805 0.00026 -0.01719 0.01230 -0.00480 -0.02285 D26 -3.13147 -0.00008 -0.00759 0.00047 -0.00699 -3.13846 D27 -3.11133 0.00021 -0.01627 0.00323 -0.01310 -3.12443 D28 0.02697 -0.00023 -0.00628 0.00041 -0.00588 0.02109 D29 0.01379 0.00015 0.00726 -0.00569 0.00161 0.01541 D30 -3.13110 -0.00029 0.01725 -0.00851 0.00883 -3.12227 D31 -3.12600 0.00022 -0.00124 0.00116 -0.00010 -3.12610 D32 -0.03618 0.00022 -0.00466 0.00325 -0.00143 -0.03761 D33 0.01226 -0.00023 0.00894 -0.00171 0.00721 0.01947 D34 3.10208 -0.00023 0.00551 0.00037 0.00588 3.10796 D35 3.10883 0.00008 -0.00056 0.00424 0.00364 3.11247 D36 -0.04544 -0.00004 0.00022 -0.00008 0.00015 -0.04529 D37 0.02038 0.00002 0.00310 0.00189 0.00498 0.02536 D38 -3.13389 -0.00011 0.00388 -0.00243 0.00149 -3.13240 D39 0.00879 -0.00027 0.00849 -0.01000 -0.00150 0.00729 D40 3.11951 0.00004 -0.00207 0.00278 0.00084 3.12035 D41 -3.11901 -0.00013 0.00764 -0.00529 0.00231 -3.11670 D42 -0.00829 0.00017 -0.00292 0.00749 0.00465 -0.00364 D43 -2.78701 0.00037 -0.00611 0.03269 0.02613 -2.76088 D44 1.30695 0.00023 -0.01601 0.03347 0.01798 1.32493 D45 -0.72110 0.00039 -0.01224 0.03447 0.02212 -0.69898 D46 0.38553 0.00001 0.00445 0.01975 0.02377 0.40930 D47 -1.80370 -0.00013 -0.00545 0.02053 0.01562 -1.78808 D48 2.45144 0.00003 -0.00168 0.02153 0.01977 2.47120 D49 -2.91989 0.00031 0.04925 -0.00031 0.04882 -2.87107 D50 -0.81211 -0.00023 0.05312 -0.00288 0.04988 -0.76224 D51 1.22465 -0.00007 0.05515 -0.00201 0.05339 1.27804 D52 -0.70954 0.00044 0.05834 -0.00054 0.05794 -0.65160 D53 1.39824 -0.00010 0.06222 -0.00311 0.05900 1.45724 D54 -2.84818 0.00006 0.06424 -0.00224 0.06252 -2.78567 D55 1.32456 0.00033 0.05347 -0.00008 0.05304 1.37759 D56 -2.85086 -0.00021 0.05734 -0.00265 0.05410 -2.79676 D57 -0.81409 -0.00005 0.05937 -0.00178 0.05761 -0.75648 D58 -2.93348 0.00009 0.01340 0.00939 0.02218 -2.91130 D59 1.22048 0.00070 0.00928 0.01435 0.02373 1.24421 D60 -0.80759 0.00044 0.00919 0.01105 0.02016 -0.78743 D61 1.11923 -0.00069 0.00792 0.00626 0.01287 1.13210 D62 -1.01000 -0.00008 0.00379 0.01123 0.01442 -0.99558 D63 -3.03808 -0.00034 0.00371 0.00793 0.01086 -3.02722 D64 -0.92467 -0.00036 0.01234 0.00593 0.01777 -0.90691 D65 -3.05390 0.00025 0.00822 0.01089 0.01932 -3.03458 D66 1.20121 -0.00001 0.00814 0.00759 0.01575 1.21696 D67 -0.35282 0.00009 -0.08123 0.00201 -0.07911 -0.43193 D68 1.74646 -0.00002 -0.08920 0.00562 -0.08386 1.66260 D69 -2.50871 0.00007 -0.08994 0.00623 -0.08354 -2.59225 D70 -2.48094 -0.00017 -0.08764 -0.00132 -0.08860 -2.56954 D71 -0.38166 -0.00028 -0.09561 0.00229 -0.09334 -0.47500 D72 1.64635 -0.00019 -0.09635 0.00289 -0.09302 1.55333 D73 1.77478 0.00000 -0.08471 -0.00076 -0.08569 1.68909 D74 -2.40913 -0.00011 -0.09267 0.00285 -0.09043 -2.49956 D75 -0.38111 -0.00002 -0.09342 0.00346 -0.09011 -0.47123 D76 1.07923 -0.00024 0.04392 -0.00819 0.03498 1.11420 D77 -3.08190 0.00013 0.04015 -0.00438 0.03536 -3.04654 D78 -1.04551 -0.00010 0.04524 -0.00771 0.03738 -1.00813 D79 -1.02983 -0.00032 0.05095 -0.01256 0.03817 -0.99166 D80 1.09222 0.00005 0.04717 -0.00874 0.03855 1.13078 D81 3.12861 -0.00017 0.05227 -0.01207 0.04057 -3.11400 D82 -3.05379 -0.00034 0.04774 -0.01263 0.03443 -3.01935 D83 -0.93173 0.00003 0.04397 -0.00882 0.03482 -0.89692 D84 1.10466 -0.00020 0.04906 -0.01215 0.03684 1.14149 D85 -0.66769 0.00000 0.02406 0.01336 0.03804 -0.62965 D86 1.44654 0.00016 0.01862 0.01814 0.03700 1.48354 D87 -2.81202 0.00035 0.01941 0.02025 0.04019 -2.77183 D88 -2.79298 -0.00021 0.02632 0.01000 0.03660 -2.75637 D89 -0.67875 -0.00006 0.02087 0.01478 0.03556 -0.64319 D90 1.34588 0.00014 0.02166 0.01689 0.03875 1.38463 D91 1.45071 -0.00015 0.02178 0.01212 0.03393 1.48463 D92 -2.71825 0.00000 0.01633 0.01689 0.03288 -2.68537 D93 -0.69363 0.00020 0.01712 0.01900 0.03608 -0.65755 D94 -0.39325 -0.00011 -0.04235 -0.01401 -0.05615 -0.44940 D95 1.71067 0.00001 -0.04076 -0.01364 -0.05464 1.65603 D96 -2.52337 -0.00004 -0.04278 -0.01161 -0.05449 -2.57786 D97 -2.50689 -0.00032 -0.03562 -0.02099 -0.05616 -2.56305 D98 -0.40297 -0.00019 -0.03403 -0.02062 -0.05465 -0.45762 D99 1.64617 -0.00025 -0.03606 -0.01860 -0.05450 1.59168 D100 1.74618 -0.00026 -0.03491 -0.02106 -0.05583 1.69035 D101 -2.43309 -0.00014 -0.03333 -0.02069 -0.05432 -2.48741 D102 -0.38394 -0.00019 -0.03535 -0.01867 -0.05417 -0.43811 Item Value Threshold Converged? Maximum Force 0.002975 0.000450 NO RMS Force 0.000557 0.000300 NO Maximum Displacement 0.189403 0.001800 NO RMS Displacement 0.030274 0.001200 NO Predicted change in Energy=-1.399631D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.843513 -4.968579 1.598312 2 6 0 7.224220 -5.457792 2.987433 3 8 0 6.490315 -6.026021 0.754700 4 8 0 2.593187 -1.571118 1.804916 5 6 0 3.474132 -2.381157 1.768682 6 7 0 4.794268 -1.960052 1.745421 7 6 0 5.926164 -2.724178 1.693955 8 8 0 7.025035 -2.243744 1.695638 9 7 0 5.689842 -4.072274 1.636089 10 6 0 4.404040 -4.582043 1.676292 11 6 0 3.297559 -3.840496 1.744365 12 1 0 7.651696 -4.395984 1.173247 13 1 0 7.481796 -4.617696 3.621075 14 1 0 8.087365 -6.115379 2.931864 15 1 0 4.943823 -0.973444 1.770674 16 1 0 4.374579 -5.648423 1.631397 17 6 0 1.870196 -4.368050 1.763859 18 1 0 6.404725 -6.006942 3.438544 19 1 0 7.226977 -6.611353 0.658367 20 6 0 1.737119 -5.818847 2.260117 21 6 0 0.360957 -6.424792 1.904435 22 6 0 -0.705835 -5.345272 1.722430 23 6 0 -0.346627 -4.448370 0.525776 24 6 0 1.176664 -4.218604 0.401690 25 1 0 1.341214 -3.728118 2.460495 26 1 0 2.505293 -6.449402 1.826290 27 1 0 1.892479 -5.840841 3.335387 28 1 0 0.441728 -6.985290 0.975860 29 1 0 0.064300 -7.140869 2.664977 30 1 0 -1.681262 -5.798128 1.568264 31 1 0 -0.784954 -4.752806 2.630229 32 1 0 -0.711869 -4.910215 -0.387742 33 1 0 -0.860403 -3.495937 0.613184 34 1 0 1.618014 -4.932039 -0.291084 35 1 0 1.364750 -3.232743 -0.006137 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521158 0.000000 3 O 1.398075 2.417974 0.000000 4 O 5.445246 6.160442 6.011383 0.000000 5 C 4.251648 5.001420 4.838446 1.197305 0.000000 6 N 3.643114 4.436377 4.515551 2.235972 1.385868 7 C 2.426523 3.291000 3.478884 3.528540 2.477037 8 O 2.732609 3.469656 3.934071 4.483932 3.554312 9 N 1.461420 2.469839 2.287953 3.984163 2.790489 10 C 2.471138 3.231012 2.699435 3.515879 2.391059 11 C 3.723935 4.424876 3.993701 2.376948 1.470184 12 H 1.077824 2.145097 2.044751 5.828155 4.676122 13 H 2.149905 1.083332 3.344027 6.039749 4.949226 14 H 2.154223 1.086521 2.701592 7.218470 6.048084 15 H 4.427148 5.175914 5.380741 2.425670 2.035105 16 H 2.561039 3.161586 2.321103 4.452851 3.391855 17 C 5.012178 5.599129 5.011265 2.889157 2.553502 18 H 2.158052 1.084730 2.685277 6.072322 4.952084 19 H 1.931126 2.599088 0.945814 6.941941 5.762916 20 C 5.218832 5.546858 4.990198 4.356978 3.882838 21 C 6.651150 7.015152 6.248995 5.343304 5.105023 22 C 7.559760 8.031107 7.292771 5.013441 5.124475 23 C 7.288283 8.024737 7.020339 4.307816 4.518449 24 C 5.840167 6.692876 5.623723 3.314326 3.243954 25 H 5.705909 6.154608 5.890954 2.578734 2.615769 26 H 4.589659 4.959820 4.148248 4.879122 4.182413 27 H 5.318930 5.356796 5.275826 4.589539 4.114074 28 H 6.740729 7.237533 6.128174 5.884672 5.569747 29 H 7.198219 7.362145 6.796008 6.177143 5.923272 30 H 8.565095 9.024272 8.215138 6.016189 6.188210 31 H 7.700969 8.048073 7.620251 4.713397 4.950433 32 H 7.812273 8.641363 7.377103 5.184661 5.344988 33 H 7.905029 8.651420 7.775243 4.129459 4.622348 34 H 5.556708 6.515722 5.101939 4.079212 3.767600 35 H 5.966928 6.945912 5.886654 2.747720 2.885251 6 7 8 9 10 6 N 0.000000 7 C 1.366647 0.000000 8 O 2.249284 1.199307 0.000000 9 N 2.296843 1.369876 2.264909 0.000000 10 C 2.651772 2.401840 3.512497 1.383751 0.000000 11 C 2.403375 2.856269 4.055376 2.405922 1.333726 12 H 3.798163 2.458360 2.301681 2.041540 3.291647 13 H 4.219473 3.117562 3.090564 2.729241 3.640884 14 H 5.433127 4.207547 4.200757 3.406087 4.182638 15 H 0.998198 2.008967 2.439413 3.190205 3.649967 16 H 3.713922 3.310973 4.315193 2.052848 1.067731 17 C 3.788006 4.376994 5.575813 3.833210 2.544372 18 H 4.673067 3.748220 4.193348 2.739132 3.023014 19 H 5.360443 4.227847 4.493632 3.125003 3.622601 20 C 4.949886 5.238856 6.407969 4.366228 2.997166 21 C 6.293920 6.686581 7.869860 5.831240 4.449078 22 C 6.458435 7.131225 8.329859 6.521707 5.166767 23 C 5.840211 6.609492 7.782696 6.149243 4.889825 24 C 4.471435 5.144026 6.306966 4.681231 3.488933 25 H 3.944740 4.755759 5.924036 4.439443 3.274915 26 H 5.039862 5.059364 6.175168 3.978475 2.667352 27 H 5.099892 5.355232 6.478505 4.520554 3.262685 28 H 6.692522 6.982247 8.144954 6.038564 4.686803 29 H 7.075242 7.403479 8.565821 6.490116 5.134046 30 H 7.529589 8.205967 9.404759 7.570756 6.206564 31 H 6.301594 7.073263 8.256197 6.585926 5.278714 32 H 6.600863 7.292167 8.444538 6.766087 5.526342 33 H 5.967932 6.915285 8.057284 6.654638 5.479433 34 H 4.802984 5.232131 6.356877 4.586172 3.428558 35 H 4.055773 4.894430 5.992744 4.701929 3.726723 11 12 13 14 15 11 C 0.000000 12 H 4.426427 0.000000 13 H 4.651227 2.463713 0.000000 14 H 5.433919 2.497771 1.756353 0.000000 15 H 3.306186 4.404915 4.811015 6.137566 0.000000 16 H 2.107447 3.538079 3.830928 3.961570 4.711567 17 C 1.521860 5.811656 5.916217 6.562818 4.579364 18 H 4.149483 3.046588 1.767315 1.760613 5.500194 19 H 4.929235 2.313731 3.580117 2.480937 6.183530 20 C 2.571934 6.179648 6.024640 6.392558 5.830989 21 C 3.915078 7.602998 7.544454 7.800559 7.123043 22 C 4.276915 8.429181 8.436322 8.909330 7.143798 23 C 3.890316 8.024658 8.419842 8.927507 6.450871 24 C 2.538491 6.523251 7.090726 7.599823 5.157195 25 H 2.086326 6.474970 6.312293 7.171593 4.587251 26 H 2.727780 5.579288 5.598391 5.700297 5.994633 27 H 2.916673 6.319102 5.728715 6.214082 5.954039 28 H 4.316955 7.663362 7.884492 7.939676 7.552674 29 H 4.711045 8.205378 7.893020 8.092739 7.914964 30 H 5.352756 9.445960 9.464094 9.868441 8.198188 31 H 4.275977 8.568967 8.327016 8.981404 6.916740 32 H 4.665371 8.523517 9.126463 9.481493 7.221064 33 H 4.322839 8.577855 8.938570 9.607304 6.433645 34 H 2.855765 6.231930 7.056043 7.323946 5.566177 35 H 2.677569 6.501521 7.245206 7.882575 4.590343 16 17 18 19 20 16 H 0.000000 17 C 2.815819 0.000000 18 H 2.741498 5.104164 0.000000 19 H 3.163889 5.911820 2.961553 0.000000 20 C 2.716713 1.539089 4.817740 5.773405 0.000000 21 C 4.097128 2.554946 6.249418 6.980667 1.545153 22 C 5.090265 2.755471 7.344585 8.103376 2.545860 23 C 4.995228 2.540395 7.516257 7.877534 3.037785 24 C 3.712576 1.535847 6.305019 6.511329 2.515678 25 H 3.684600 1.083806 5.638153 6.797272 2.137297 26 H 2.042983 2.176987 4.242724 4.866680 1.084387 27 H 3.016857 2.153906 4.516481 6.018055 1.086658 28 H 4.205266 3.084058 6.525283 6.802957 2.165166 29 H 4.676985 3.429548 6.487310 7.457265 2.170248 30 H 6.058020 3.833567 8.302093 8.991438 3.487752 31 H 5.331095 2.819301 7.342869 8.457746 2.763020 32 H 5.522121 3.404467 8.154091 8.186176 3.719450 33 H 5.751086 3.088820 8.189621 8.666808 3.854272 34 H 3.436247 2.145804 6.162642 5.931443 2.703561 35 H 4.192386 2.162704 6.705473 6.798696 3.458685 21 22 23 24 25 21 C 0.000000 22 C 1.528573 0.000000 23 C 2.511497 1.538000 0.000000 24 C 2.791215 2.560769 1.545511 0.000000 25 H 2.922696 2.711151 2.666591 2.122812 0.000000 26 H 2.145900 3.397239 3.718724 2.961621 3.026991 27 H 2.175817 3.098137 3.853113 3.427918 2.352217 28 H 1.087628 2.136335 2.694447 2.919650 3.690852 29 H 1.085908 2.169256 3.463321 3.859981 3.649547 30 H 2.162493 1.086417 2.165613 3.467497 3.770461 31 H 2.153004 1.086910 2.171067 3.016571 2.366302 32 H 2.949403 2.154563 1.086839 2.160575 3.704721 33 H 3.425965 2.162026 1.085695 2.171778 2.883329 34 H 2.937483 3.102463 2.181974 1.087987 3.016162 35 H 3.853189 3.426084 2.165524 1.083339 2.515994 26 27 28 29 30 26 H 0.000000 27 H 1.738752 0.000000 28 H 2.295367 2.996966 0.000000 29 H 2.672072 2.341316 1.737749 0.000000 30 H 4.244759 3.987000 2.503474 2.460228 0.000000 31 H 3.788203 2.974847 3.037379 2.534815 1.738918 32 H 4.197757 4.637929 2.737907 3.859709 2.356709 33 H 4.639233 4.526292 3.742013 4.283743 2.624132 34 H 2.751895 3.748672 2.684145 4.003905 3.884908 35 H 3.873696 4.271587 3.987217 4.909121 4.282305 31 32 33 34 35 31 H 0.000000 32 H 3.022957 0.000000 33 H 2.377789 1.738993 0.000000 34 H 3.786878 2.331989 3.003771 0.000000 35 H 3.725889 2.696642 2.324680 1.741536 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.055289 -1.194683 -0.315546 2 6 0 3.454766 -1.817101 1.013716 3 8 0 2.494173 -2.137563 -1.181999 4 8 0 -0.628092 2.753479 0.388318 5 6 0 0.120313 1.830172 0.243634 6 7 0 1.483103 2.059938 0.140471 7 6 0 2.484832 1.147244 -0.036315 8 8 0 3.639653 1.465557 -0.094655 9 7 0 2.050464 -0.147469 -0.144029 10 6 0 0.709752 -0.470749 -0.031120 11 6 0 -0.269058 0.415009 0.159112 12 1 0 3.907436 -0.717887 -0.771854 13 1 0 3.875317 -1.062510 1.667426 14 1 0 4.206575 -2.586080 0.858860 15 1 0 1.776732 3.011850 0.204074 16 1 0 0.521623 -1.517344 -0.127534 17 6 0 -1.753494 0.095552 0.261364 18 1 0 2.596672 -2.270720 1.498015 19 1 0 3.128932 -2.814682 -1.364083 20 6 0 -2.062969 -1.349200 0.692306 21 6 0 -3.534088 -1.730433 0.413074 22 6 0 -4.441459 -0.501120 0.368345 23 6 0 -4.037903 0.407106 -0.805415 24 6 0 -2.509533 0.425123 -1.034250 25 1 0 -2.134122 0.760364 1.028033 26 1 0 -1.426886 -2.054832 0.169451 27 1 0 -1.839079 -1.458793 1.749986 28 1 0 -3.600081 -2.238859 -0.546135 29 1 0 -3.879394 -2.442229 1.156920 30 1 0 -5.480887 -0.800410 0.266770 31 1 0 -4.370585 0.039924 1.308357 32 1 0 -4.528586 0.058635 -1.710410 33 1 0 -4.399623 1.415759 -0.630744 34 1 0 -2.225872 -0.300085 -1.794069 35 1 0 -2.207707 1.397312 -1.404889 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8134038 0.2822953 0.2275342 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1276.8720229685 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.41D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000697 -0.000098 0.000454 Ang= 0.10 deg. 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) = -798.431143699 A.U. after 11 cycles NFock= 11 Conv=0.84D-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 0.000739961 -0.000077841 -0.000159669 2 6 -0.000335406 0.000189464 0.000234672 3 8 -0.002164758 0.001573063 0.000249509 4 8 -0.000091748 -0.001100863 0.000714178 5 6 -0.000356715 0.000266482 -0.000446914 6 7 -0.000304660 0.000411968 0.000355846 7 6 0.000435461 -0.000142576 -0.002379195 8 8 -0.000357273 0.000214377 0.001057848 9 7 0.000284803 -0.000643818 0.000568603 10 6 -0.000619079 -0.000328239 0.000459160 11 6 -0.000535684 -0.001037227 -0.000966660 12 1 -0.000405947 0.000153528 -0.000005121 13 1 0.000038361 -0.000106001 0.000094850 14 1 -0.000088643 0.000109628 -0.000064334 15 1 0.000118836 0.000063015 0.000088474 16 1 0.000010881 -0.000007309 -0.000042785 17 6 0.004203321 0.001867311 0.000525667 18 1 0.000055420 0.000003188 0.000038464 19 1 0.001400744 -0.001075836 -0.000150159 20 6 -0.000868875 -0.000297915 0.001014396 21 6 -0.000212365 -0.000911237 0.000435896 22 6 -0.000187219 -0.001025418 -0.000692690 23 6 -0.000129513 -0.000351206 -0.000881403 24 6 -0.000542199 0.001993855 -0.000995635 25 1 -0.000406898 0.000433513 0.000240964 26 1 -0.000087727 -0.000354965 -0.000361254 27 1 -0.000036876 0.000165759 -0.000041802 28 1 -0.000165677 -0.000121976 0.000213615 29 1 0.000099394 0.000370962 0.000141677 30 1 0.000337522 0.000108480 0.000075412 31 1 -0.000016690 -0.000077356 -0.000005113 32 1 0.000038271 0.000402390 -0.000029356 33 1 0.000514590 0.000051648 0.000582629 34 1 -0.000474617 -0.000362098 0.000136682 35 1 0.000111007 -0.000356750 -0.000006452 ------------------------------------------------------------------- Cartesian Forces: Max 0.004203321 RMS 0.000752213 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002567953 RMS 0.000449579 Search for a local minimum. Step number 18 out of a maximum of 210 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 DE= -1.38D-04 DEPred=-1.40D-04 R= 9.88D-01 TightC=F SS= 1.41D+00 RLast= 3.95D-01 DXNew= 5.0454D+00 1.1842D+00 Trust test= 9.88D-01 RLast= 3.95D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00078 0.00300 0.00442 0.00495 0.00565 Eigenvalues --- 0.00797 0.01455 0.01459 0.01650 0.01718 Eigenvalues --- 0.01898 0.01932 0.01960 0.02036 0.02274 Eigenvalues --- 0.02528 0.03290 0.03533 0.03685 0.03958 Eigenvalues --- 0.04400 0.04537 0.04744 0.04824 0.04963 Eigenvalues --- 0.05165 0.05241 0.05355 0.05451 0.05645 Eigenvalues --- 0.05732 0.06114 0.06363 0.06868 0.07858 Eigenvalues --- 0.08089 0.08184 0.08213 0.08252 0.08398 Eigenvalues --- 0.08807 0.09715 0.11994 0.12370 0.15546 Eigenvalues --- 0.15981 0.15997 0.16020 0.16076 0.16153 Eigenvalues --- 0.16308 0.18510 0.19174 0.19480 0.20630 Eigenvalues --- 0.20861 0.22650 0.23860 0.24889 0.24995 Eigenvalues --- 0.25093 0.25412 0.26594 0.27048 0.27475 Eigenvalues --- 0.28405 0.28831 0.29363 0.29950 0.30280 Eigenvalues --- 0.32650 0.34609 0.34723 0.34744 0.34790 Eigenvalues --- 0.34794 0.34804 0.34808 0.34824 0.34836 Eigenvalues --- 0.34844 0.34872 0.34906 0.34965 0.35012 Eigenvalues --- 0.35268 0.36169 0.37372 0.38410 0.42330 Eigenvalues --- 0.43580 0.44975 0.47692 0.49713 0.51510 Eigenvalues --- 0.56586 0.59714 0.87620 0.96583 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 18 17 16 15 14 13 RFO step: Lambda=-3.34912165D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.48602 -0.44471 -1.19509 0.59846 0.55376 RFO-DIIS coefs: 0.00154 Iteration 1 RMS(Cart)= 0.02906575 RMS(Int)= 0.00107943 Iteration 2 RMS(Cart)= 0.00085752 RMS(Int)= 0.00084796 Iteration 3 RMS(Cart)= 0.00000048 RMS(Int)= 0.00084796 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87457 0.00013 0.00066 -0.00031 0.00035 2.87492 R2 2.64198 -0.00024 -0.00015 0.00001 -0.00013 2.64185 R3 2.76168 -0.00108 -0.00584 0.00431 -0.00153 2.76015 R4 2.03679 -0.00022 -0.00099 0.00036 -0.00062 2.03617 R5 2.04720 -0.00002 0.00012 -0.00023 -0.00011 2.04709 R6 2.05323 -0.00013 -0.00070 0.00041 -0.00029 2.05294 R7 2.04984 -0.00003 -0.00005 -0.00015 -0.00020 2.04964 R8 1.78733 0.00177 0.00790 -0.00448 0.00342 1.79075 R9 2.26258 -0.00066 -0.00101 0.00018 -0.00083 2.26175 R10 2.61891 -0.00028 -0.00182 0.00055 -0.00128 2.61763 R11 2.77824 -0.00090 -0.00162 0.00106 -0.00052 2.77772 R12 2.58259 0.00018 0.00129 -0.00024 0.00101 2.58359 R13 1.88632 0.00008 0.00074 -0.00087 -0.00014 1.88619 R14 2.26636 -0.00024 -0.00032 -0.00002 -0.00035 2.26602 R15 2.58869 0.00052 0.00134 -0.00108 0.00023 2.58892 R16 2.61491 -0.00002 0.00019 0.00063 0.00083 2.61574 R17 2.52038 -0.00094 -0.00300 0.00124 -0.00172 2.51866 R18 2.01772 0.00001 0.00064 -0.00092 -0.00029 2.01743 R19 2.87590 -0.00257 -0.01256 0.00417 -0.00839 2.86751 R20 2.90846 0.00137 0.00120 0.00141 0.00328 2.91174 R21 2.90233 0.00121 0.00596 -0.00181 0.00383 2.90616 R22 2.04810 0.00061 0.00282 -0.00074 0.00208 2.05018 R23 2.91992 0.00025 0.00478 -0.00250 0.00291 2.92283 R24 2.04920 0.00029 0.00187 -0.00010 0.00177 2.05096 R25 2.05349 -0.00005 -0.00083 0.00013 -0.00069 2.05279 R26 2.88858 -0.00014 0.00031 0.00110 0.00112 2.88970 R27 2.05532 -0.00013 -0.00043 -0.00040 -0.00083 2.05449 R28 2.05207 -0.00017 -0.00097 0.00038 -0.00059 2.05148 R29 2.90640 0.00077 0.00056 0.00165 0.00190 2.90830 R30 2.05303 -0.00036 -0.00101 0.00007 -0.00094 2.05209 R31 2.05396 -0.00005 0.00002 0.00009 0.00012 2.05408 R32 2.92059 -0.00012 0.00058 -0.00147 -0.00128 2.91931 R33 2.05383 -0.00016 -0.00048 -0.00019 -0.00067 2.05316 R34 2.05167 -0.00015 -0.00086 0.00037 -0.00049 2.05118 R35 2.05600 -0.00004 0.00065 -0.00071 -0.00006 2.05594 R36 2.04721 -0.00030 -0.00260 0.00121 -0.00140 2.04582 A1 1.95090 0.00044 0.00262 -0.00133 0.00129 1.95219 A2 1.95111 0.00003 -0.00309 0.00216 -0.00093 1.95018 A3 1.92126 0.00008 0.00557 -0.00356 0.00201 1.92327 A4 1.85464 -0.00073 -0.00987 0.00733 -0.00254 1.85210 A5 1.93187 0.00013 0.00553 -0.00483 0.00071 1.93258 A6 1.85074 0.00002 -0.00141 0.00061 -0.00081 1.84993 A7 1.92223 0.00022 0.00240 -0.00115 0.00125 1.92347 A8 1.92491 -0.00017 -0.00262 0.00212 -0.00050 1.92441 A9 1.93212 0.00008 0.00144 -0.00133 0.00010 1.93222 A10 1.88638 -0.00005 -0.00039 -0.00007 -0.00046 1.88591 A11 1.90601 -0.00011 -0.00057 0.00033 -0.00024 1.90577 A12 1.89129 0.00002 -0.00033 0.00015 -0.00018 1.89111 A13 1.91004 -0.00007 -0.00084 0.00117 0.00033 1.91037 A14 2.08956 0.00088 0.00281 -0.00074 0.00199 2.09155 A15 2.19407 -0.00109 -0.00393 0.00123 -0.00277 2.19130 A16 1.99956 0.00021 0.00127 -0.00051 0.00078 2.00034 A17 2.23914 -0.00056 -0.00394 0.00124 -0.00226 2.23688 A18 2.02932 0.00038 0.00296 -0.00082 0.00260 2.03192 A19 2.01473 0.00018 -0.00063 -0.00042 -0.00058 2.01415 A20 2.13511 -0.00044 -0.00417 0.00198 -0.00217 2.13294 A21 1.99209 0.00000 0.00102 0.00029 0.00125 1.99334 A22 2.15598 0.00044 0.00295 -0.00225 0.00073 2.15670 A23 2.05835 0.00035 0.00286 -0.00247 0.00039 2.05874 A24 2.10406 -0.00056 -0.00485 0.00382 -0.00102 2.10304 A25 2.11954 0.00022 0.00209 -0.00125 0.00084 2.12038 A26 2.17432 -0.00073 -0.00489 0.00210 -0.00271 2.17161 A27 1.97398 0.00035 0.00297 -0.00111 0.00181 1.97579 A28 2.13477 0.00038 0.00190 -0.00101 0.00085 2.13561 A29 2.04104 0.00087 0.00389 -0.00161 0.00251 2.04354 A30 2.04488 -0.00225 -0.00761 0.00343 -0.00413 2.04075 A31 2.19694 0.00139 0.00382 -0.00194 0.00192 2.19886 A32 1.99543 0.00073 0.00413 -0.00228 0.00009 1.99553 A33 1.95890 -0.00046 -0.00079 -0.00154 -0.00319 1.95571 A34 1.83519 -0.00001 -0.00053 0.00311 0.00314 1.83833 A35 1.91628 0.00010 -0.00640 0.00282 -0.00066 1.91562 A36 1.88297 -0.00034 0.00164 -0.00095 0.00078 1.88375 A37 1.86735 -0.00008 0.00211 -0.00115 0.00019 1.86755 A38 1.95244 0.00045 0.00091 0.00485 0.01203 1.96447 A39 1.93679 0.00021 -0.00352 0.00041 -0.00482 1.93198 A40 1.90263 -0.00041 0.00093 -0.00187 -0.00278 1.89985 A41 1.88682 -0.00059 -0.00474 0.00373 -0.00304 1.88378 A42 1.92535 0.00016 0.00558 -0.00763 -0.00364 1.92172 A43 1.85753 0.00018 0.00055 0.00020 0.00167 1.85921 A44 1.95199 -0.00041 0.00138 0.00402 0.01026 1.96225 A45 1.90973 0.00009 0.00345 -0.00294 -0.00036 1.90937 A46 1.91845 0.00016 -0.00134 -0.00150 -0.00479 1.91365 A47 1.89033 0.00003 0.00393 0.00060 0.00310 1.89342 A48 1.93739 0.00018 -0.00749 -0.00051 -0.00940 1.92799 A49 1.85294 -0.00003 0.00006 0.00009 0.00087 1.85381 A50 1.91930 0.00082 0.01210 0.00587 0.02025 1.93955 A51 1.92743 -0.00020 -0.00247 -0.00051 -0.00387 1.92355 A52 1.91380 -0.00035 -0.00424 -0.00163 -0.00627 1.90752 A53 1.92023 0.00001 0.00158 -0.00235 -0.00188 1.91835 A54 1.92726 -0.00044 -0.00509 -0.00188 -0.00722 1.92004 A55 1.85498 0.00012 -0.00277 0.00024 -0.00211 1.85288 A56 1.95990 0.00015 0.00141 0.00465 0.00896 1.96886 A57 1.90464 0.00013 0.00572 0.00036 0.00522 1.90987 A58 1.91603 -0.00008 -0.00651 -0.00177 -0.00914 1.90689 A59 1.90384 -0.00007 0.00224 -0.00143 0.00025 1.90409 A60 1.92034 -0.00027 -0.00424 -0.00165 -0.00705 1.91328 A61 1.85607 0.00014 0.00145 -0.00043 0.00145 1.85752 A62 1.93842 -0.00015 0.00085 0.00166 0.00415 1.94257 A63 1.89416 0.00033 -0.00106 -0.00010 -0.00167 1.89249 A64 1.92201 -0.00012 -0.00053 0.00080 -0.00007 1.92194 A65 1.93207 -0.00051 -0.00897 0.00262 -0.00602 1.92605 A66 1.91414 0.00040 0.00670 -0.00370 0.00178 1.91592 A67 1.86147 0.00005 0.00279 -0.00135 0.00165 1.86312 D1 -3.13050 0.00035 0.00856 -0.00663 0.00193 -3.12857 D2 1.07211 0.00038 0.00918 -0.00714 0.00203 1.07414 D3 -1.02087 0.00042 0.01037 -0.00785 0.00251 -1.01836 D4 -1.05392 -0.00026 -0.00432 0.00326 -0.00106 -1.05497 D5 -3.13450 -0.00023 -0.00370 0.00275 -0.00095 -3.13545 D6 1.05571 -0.00020 -0.00251 0.00204 -0.00047 1.05524 D7 0.99821 -0.00018 -0.00443 0.00307 -0.00135 0.99686 D8 -1.08237 -0.00015 -0.00381 0.00256 -0.00125 -1.08362 D9 3.10784 -0.00011 -0.00262 0.00185 -0.00077 3.10707 D10 -1.06483 -0.00023 -0.01046 0.00629 -0.00418 -1.06900 D11 3.08548 -0.00004 -0.00176 -0.00038 -0.00214 3.08334 D12 1.08364 0.00028 0.00261 -0.00274 -0.00014 1.08350 D13 1.64503 -0.00001 0.00335 0.00106 0.00442 1.64945 D14 -1.44395 -0.00004 0.00069 -0.00104 -0.00036 -1.44431 D15 -2.50541 0.00007 -0.00173 0.00552 0.00380 -2.50161 D16 0.68879 0.00004 -0.00439 0.00342 -0.00098 0.68781 D17 -0.44897 -0.00013 -0.00079 0.00379 0.00301 -0.44596 D18 2.74523 -0.00016 -0.00345 0.00169 -0.00177 2.74346 D19 -3.13212 -0.00029 -0.04495 0.02352 -0.02144 3.12962 D20 0.01124 -0.00016 -0.01944 0.02108 0.00158 0.01282 D21 0.00888 0.00007 -0.01437 -0.00767 -0.02212 -0.01325 D22 -3.13095 0.00021 0.01114 -0.01011 0.00090 -3.13005 D23 3.11811 0.00058 0.05324 -0.02473 0.02848 -3.13659 D24 0.00250 0.00034 0.03078 -0.02013 0.01061 0.01311 D25 -0.02285 0.00019 0.02074 0.00863 0.02921 0.00636 D26 -3.13846 -0.00005 -0.00171 0.01323 0.01134 -3.12712 D27 -3.12443 0.00052 0.01648 0.00884 0.02542 -3.09900 D28 0.02109 -0.00036 0.00005 0.00075 0.00082 0.02190 D29 0.01541 0.00039 -0.00860 0.01126 0.00260 0.01801 D30 -3.12227 -0.00049 -0.02503 0.00317 -0.02200 3.13892 D31 -3.12610 0.00034 0.00566 0.00307 0.00878 -3.11732 D32 -0.03761 0.00036 0.00817 0.00536 0.01355 -0.02406 D33 0.01947 -0.00054 -0.01110 -0.00514 -0.01620 0.00326 D34 3.10796 -0.00053 -0.00859 -0.00286 -0.01143 3.09652 D35 3.11247 -0.00007 0.00212 -0.00176 0.00041 3.11288 D36 -0.04529 -0.00009 0.00041 -0.00321 -0.00281 -0.04810 D37 0.02536 -0.00011 -0.00064 -0.00390 -0.00452 0.02083 D38 -3.13240 -0.00013 -0.00235 -0.00536 -0.00774 -3.14015 D39 0.00729 -0.00018 -0.01452 -0.00358 -0.01810 -0.01080 D40 3.12035 0.00002 0.01022 -0.00854 0.00150 3.12185 D41 -3.11670 -0.00016 -0.01267 -0.00200 -0.01460 -3.13130 D42 -0.00364 0.00004 0.01207 -0.00696 0.00500 0.00136 D43 -2.76088 0.00038 0.01814 0.00293 0.02180 -2.73908 D44 1.32493 0.00003 0.02393 0.00225 0.02535 1.35028 D45 -0.69898 0.00036 0.02214 0.00256 0.02488 -0.67409 D46 0.40930 0.00013 -0.00652 0.00798 0.00214 0.41144 D47 -1.78808 -0.00022 -0.00073 0.00730 0.00569 -1.78239 D48 2.47120 0.00011 -0.00251 0.00761 0.00522 2.47642 D49 -2.87107 0.00034 -0.03809 0.00524 -0.03268 -2.90375 D50 -0.76224 0.00003 -0.04589 0.01361 -0.03169 -0.79393 D51 1.27804 0.00013 -0.04672 0.01297 -0.03410 1.24393 D52 -0.65160 0.00038 -0.04097 0.00372 -0.03748 -0.68907 D53 1.45724 0.00007 -0.04876 0.01209 -0.03649 1.42075 D54 -2.78567 0.00017 -0.04960 0.01145 -0.03890 -2.82457 D55 1.37759 0.00015 -0.04103 0.00334 -0.03716 1.34043 D56 -2.79676 -0.00016 -0.04883 0.01171 -0.03617 -2.83293 D57 -0.75648 -0.00006 -0.04966 0.01107 -0.03859 -0.79507 D58 -2.91130 -0.00002 -0.00698 -0.00941 -0.01539 -2.92669 D59 1.24421 0.00049 0.00435 -0.01366 -0.00942 1.23479 D60 -0.78743 0.00030 0.00190 -0.01242 -0.01040 -0.79783 D61 1.13210 -0.00072 -0.00713 -0.00744 -0.01250 1.11960 D62 -0.99558 -0.00021 0.00420 -0.01169 -0.00652 -1.00210 D63 -3.02722 -0.00040 0.00175 -0.01046 -0.00751 -3.03473 D64 -0.90691 -0.00032 -0.00684 -0.00716 -0.01319 -0.92010 D65 -3.03458 0.00019 0.00449 -0.01141 -0.00722 -3.04180 D66 1.21696 -0.00000 0.00204 -0.01018 -0.00820 1.20876 D67 -0.43193 0.00028 0.06451 0.00709 0.07158 -0.36035 D68 1.66260 0.00011 0.07291 0.00845 0.08186 1.74446 D69 -2.59225 0.00022 0.07421 0.00600 0.07998 -2.51228 D70 -2.56954 0.00014 0.07156 0.00091 0.07198 -2.49756 D71 -0.47500 -0.00002 0.07997 0.00226 0.08226 -0.39275 D72 1.55333 0.00008 0.08126 -0.00018 0.08037 1.63370 D73 1.68909 0.00017 0.07056 0.00269 0.07367 1.76277 D74 -2.49956 0.00001 0.07896 0.00404 0.08395 -2.41561 D75 -0.47123 0.00011 0.08026 0.00160 0.08207 -0.38916 D76 1.11420 -0.00046 -0.04465 -0.01908 -0.06268 1.05152 D77 -3.04654 -0.00004 -0.03620 -0.01848 -0.05411 -3.10065 D78 -1.00813 -0.00022 -0.04334 -0.01946 -0.06262 -1.07075 D79 -0.99166 -0.00034 -0.05276 -0.01832 -0.07079 -1.06245 D80 1.13078 0.00008 -0.04431 -0.01772 -0.06221 1.06856 D81 -3.11400 -0.00010 -0.05145 -0.01869 -0.07073 3.09846 D82 -3.01935 -0.00042 -0.05094 -0.01850 -0.06842 -3.08777 D83 -0.89692 0.00000 -0.04249 -0.01790 -0.05985 -0.95676 D84 1.14149 -0.00018 -0.04963 -0.01887 -0.06836 1.07313 D85 -0.62965 0.00009 -0.00436 0.01487 0.00954 -0.62011 D86 1.48354 0.00019 0.00347 0.01635 0.01946 1.50299 D87 -2.77183 0.00039 0.00477 0.01504 0.01900 -2.75283 D88 -2.75637 -0.00019 -0.01052 0.01320 0.00224 -2.75414 D89 -0.64319 -0.00010 -0.00269 0.01468 0.01215 -0.63104 D90 1.38463 0.00010 -0.00139 0.01337 0.01170 1.39633 D91 1.48463 -0.00009 -0.00516 0.01545 0.01021 1.49484 D92 -2.68537 0.00001 0.00267 0.01693 0.02012 -2.66525 D93 -0.65755 0.00021 0.00397 0.01562 0.01967 -0.63788 D94 -0.44940 -0.00000 0.02239 -0.00417 0.01796 -0.43145 D95 1.65603 -0.00002 0.01558 -0.00142 0.01457 1.67059 D96 -2.57786 -0.00002 0.01763 -0.00377 0.01407 -2.56379 D97 -2.56305 -0.00021 0.01257 -0.00667 0.00524 -2.55781 D98 -0.45762 -0.00023 0.00577 -0.00392 0.00185 -0.45577 D99 1.59168 -0.00023 0.00782 -0.00627 0.00135 1.59303 D100 1.69035 -0.00020 0.01194 -0.00439 0.00733 1.69767 D101 -2.48741 -0.00022 0.00513 -0.00165 0.00394 -2.48347 D102 -0.43811 -0.00021 0.00718 -0.00399 0.00344 -0.43467 Item Value Threshold Converged? Maximum Force 0.002568 0.000450 NO RMS Force 0.000450 0.000300 NO Maximum Displacement 0.180787 0.001800 NO RMS Displacement 0.029072 0.001200 NO Predicted change in Energy=-5.214743D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.844132 -4.965199 1.590469 2 6 0 7.224565 -5.459775 2.977966 3 8 0 6.488500 -6.017970 0.742166 4 8 0 2.591093 -1.579309 1.866664 5 6 0 3.474399 -2.383842 1.796025 6 7 0 4.792242 -1.958884 1.757914 7 6 0 5.924461 -2.722316 1.691344 8 8 0 7.022260 -2.240131 1.706687 9 7 0 5.690124 -4.070841 1.632565 10 6 0 4.404990 -4.583677 1.670137 11 6 0 3.299687 -3.842303 1.741323 12 1 0 7.650459 -4.389668 1.166679 13 1 0 7.482190 -4.622999 3.615866 14 1 0 8.087699 -6.116878 2.919572 15 1 0 4.942542 -0.973207 1.803845 16 1 0 4.375719 -5.649546 1.617290 17 6 0 1.875234 -4.364928 1.760205 18 1 0 6.405329 -6.011138 3.426584 19 1 0 7.226307 -6.603733 0.639632 20 6 0 1.738407 -5.817613 2.255310 21 6 0 0.347819 -6.420794 1.947582 22 6 0 -0.712335 -5.346787 1.700746 23 6 0 -0.334593 -4.459791 0.501126 24 6 0 1.186835 -4.214580 0.393254 25 1 0 1.343656 -3.723661 2.455352 26 1 0 2.487705 -6.452454 1.793296 27 1 0 1.928321 -5.843404 3.324562 28 1 0 0.414497 -7.049098 1.062838 29 1 0 0.044991 -7.073285 2.760645 30 1 0 -1.680565 -5.807708 1.529563 31 1 0 -0.821054 -4.737419 2.594256 32 1 0 -0.685744 -4.923994 -0.416292 33 1 0 -0.852222 -3.509144 0.581785 34 1 0 1.636407 -4.924115 -0.298187 35 1 0 1.370945 -3.226807 -0.009770 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521343 0.000000 3 O 1.398004 2.419127 0.000000 4 O 5.443241 6.145084 6.012984 0.000000 5 C 4.249796 4.992203 4.837593 1.196867 0.000000 6 N 3.643655 4.434068 4.514999 2.236283 1.385191 7 C 2.426211 3.292317 3.475689 3.528249 2.475546 8 O 2.733355 3.467446 3.935386 4.483025 3.551894 9 N 1.460611 2.468552 2.285065 3.983281 2.789646 10 C 2.470086 3.229236 2.694317 3.514977 2.391886 11 C 3.721122 4.421557 3.987526 2.374648 1.469906 12 H 1.077495 2.146456 2.044927 5.829689 4.675350 13 H 2.150919 1.083273 3.345372 6.020513 4.938424 14 H 2.153912 1.086368 2.703390 7.204916 6.039905 15 H 4.426915 5.168702 5.382079 2.429118 2.036024 16 H 2.561663 3.162812 2.316338 4.451281 3.392513 17 C 5.007903 5.594370 5.005115 2.878100 2.546235 18 H 2.158206 1.084623 2.685714 6.051681 4.940278 19 H 1.932599 2.603162 0.947624 6.945188 5.763813 20 C 5.218913 5.545107 4.989302 4.340661 3.874971 21 C 6.666961 7.019607 6.270826 5.336554 5.108371 22 C 7.566899 8.039803 7.295299 5.013388 5.129996 23 C 7.278475 8.017205 7.002901 4.326836 4.527112 24 C 5.831104 6.684717 5.610847 3.329795 3.248434 25 H 5.704795 6.154048 5.887977 2.549686 2.601902 26 H 4.607768 4.982640 4.159328 4.874794 4.186547 27 H 5.286164 5.321419 5.243517 4.554914 4.085995 28 H 6.779472 7.250565 6.169244 5.941573 5.627182 29 H 7.213990 7.361856 6.834234 6.120915 5.889160 30 H 8.566446 9.028858 8.209618 6.019972 6.194152 31 H 7.733987 8.087089 7.648505 4.705932 4.962602 32 H 7.792806 8.624444 7.349053 5.209268 5.352897 33 H 7.897557 8.647608 7.759261 4.151096 4.632530 34 H 5.539775 6.499816 5.081501 4.097039 3.770533 35 H 5.961422 6.941007 5.877530 2.779211 2.897585 6 7 8 9 10 6 N 0.000000 7 C 1.367179 0.000000 8 O 2.248266 1.199124 0.000000 9 N 2.298319 1.369996 2.265299 0.000000 10 C 2.654658 2.402896 3.513352 1.384190 0.000000 11 C 2.403178 2.854173 4.052863 2.403798 1.332815 12 H 3.798378 2.456503 2.303639 2.040003 3.290012 13 H 4.217264 3.121362 3.087808 2.729443 3.640957 14 H 5.431243 4.208467 4.199454 3.404558 4.180208 15 H 0.998127 2.009030 2.437163 3.191168 3.652715 16 H 3.716753 3.312516 4.316976 2.054313 1.067580 17 C 3.781269 4.370258 5.568617 3.828337 2.540793 18 H 4.669826 3.749486 4.190363 2.737658 3.020613 19 H 5.361888 4.226854 4.496805 3.124310 3.619724 20 C 4.946020 5.236600 6.404566 4.365214 2.995946 21 C 6.300597 6.696517 7.879348 5.844804 4.462355 22 C 6.463863 7.136876 8.335184 6.528719 5.174001 23 C 5.841104 6.603877 7.778403 6.142365 4.883194 24 C 4.466479 5.133906 6.298868 4.672919 3.481837 25 H 3.936192 4.750808 5.916748 4.437263 3.275355 26 H 5.050181 5.073029 6.189778 3.994171 2.680201 27 H 5.074045 5.327076 6.445875 4.489543 3.233871 28 H 6.749672 7.033901 8.197757 6.084969 4.729814 29 H 7.049749 7.392057 8.552922 6.492669 5.137795 30 H 7.534111 8.208669 9.407345 7.573267 6.209025 31 H 6.318926 7.097737 8.278997 6.615483 5.309347 32 H 6.597529 7.279033 8.433474 6.751102 5.512220 33 H 5.970475 6.911849 8.055015 6.649958 5.475163 34 H 4.793688 5.214744 6.342767 4.570394 3.413978 35 H 4.054332 4.887003 5.988080 4.697336 3.724058 11 12 13 14 15 11 C 0.000000 12 H 4.422560 0.000000 13 H 4.649379 2.466024 0.000000 14 H 5.430195 2.499413 1.755887 0.000000 15 H 3.306749 4.405792 4.801480 6.131411 0.000000 16 H 2.106978 3.537551 3.833833 3.961456 4.714259 17 C 1.517419 5.805696 5.911687 6.558062 4.573188 18 H 4.145957 3.047406 1.767028 1.760287 5.491245 19 H 4.925197 2.315116 3.584237 2.485388 6.186581 20 C 2.569753 6.178714 6.022397 6.390956 5.825682 21 C 3.924881 7.619963 7.544169 7.806591 7.127997 22 C 4.285025 8.434312 8.446407 8.917352 7.149577 23 C 3.889392 8.013048 8.416076 8.917949 6.457669 24 C 2.533777 6.512088 7.084034 7.590978 5.157674 25 H 2.085659 6.471477 6.311672 7.171130 4.576182 26 H 2.734028 5.594798 5.622593 5.721979 6.004039 27 H 2.896843 6.285911 5.693831 6.178733 5.925954 28 H 4.366715 7.709896 7.896594 7.949498 7.613720 29 H 4.698011 8.221050 7.877006 8.100933 7.881143 30 H 5.358225 9.445133 9.471657 9.871509 8.204461 31 H 4.302236 8.597990 8.366639 9.020788 6.929147 32 H 4.659294 8.501975 9.113948 9.461726 7.226017 33 H 4.323641 8.568139 8.939169 9.601443 6.442336 34 H 2.845420 6.212913 7.041566 7.307244 5.564057 35 H 2.676790 6.493733 7.241678 7.877076 4.596108 16 17 18 19 20 16 H 0.000000 17 C 2.814799 0.000000 18 H 2.742920 5.099861 0.000000 19 H 3.161035 5.907784 2.965177 0.000000 20 C 2.718590 1.540827 4.815547 5.774552 0.000000 21 C 4.114352 2.568013 6.248895 7.004127 1.546693 22 C 5.097736 2.768229 7.353979 8.107275 2.556434 23 C 4.984815 2.545116 7.509429 7.860209 3.036145 24 C 3.704912 1.537873 6.297729 6.499537 2.518175 25 H 3.688467 1.084909 5.638827 6.796855 2.140206 26 H 2.059183 2.175772 4.267337 4.879362 1.085324 27 H 2.990337 2.153120 4.481310 5.987955 1.086292 28 H 4.237622 3.134460 6.523398 6.839460 2.165937 29 H 4.699946 3.418460 6.482709 7.502698 2.167886 30 H 6.058984 3.844284 8.307933 8.986546 3.495165 31 H 5.365900 2.846816 7.384831 8.489034 2.798668 32 H 5.502752 3.407096 8.138359 8.157024 3.716520 33 H 5.743253 3.091934 8.186873 8.651153 3.852412 34 H 3.420399 2.146323 6.148019 5.911649 2.707229 35 H 4.188753 2.163894 6.701197 6.790479 3.460910 21 22 23 24 25 21 C 0.000000 22 C 1.529165 0.000000 23 C 2.530506 1.539007 0.000000 24 C 2.826175 2.568711 1.544832 0.000000 25 H 2.919597 2.725998 2.679068 2.125522 0.000000 26 H 2.145674 3.386934 3.688601 2.942867 3.032075 27 H 2.174267 3.139501 3.873881 3.434449 2.364459 28 H 1.087191 2.138817 2.753392 3.013194 3.723031 29 H 1.085597 2.162805 3.475610 3.883367 3.605511 30 H 2.159852 1.085920 2.164765 3.471489 3.787644 31 H 2.149000 1.086972 2.166775 3.024796 2.394362 32 H 2.982711 2.159008 1.086484 2.159903 3.715589 33 H 3.432667 2.156055 1.085437 2.165857 2.894504 34 H 2.990650 3.113033 2.177003 1.087954 3.018073 35 H 3.883242 3.429320 2.165670 1.082599 2.514843 26 27 28 29 30 26 H 0.000000 27 H 1.740295 0.000000 28 H 2.277662 2.976702 0.000000 29 H 2.699638 2.318952 1.737720 0.000000 30 H 4.226077 4.030801 2.479550 2.468764 0.000000 31 H 3.811924 3.052149 3.035735 2.496796 1.737195 32 H 4.158034 4.655388 2.813258 3.904658 2.357323 33 H 4.613669 4.550056 3.790417 4.272648 2.620655 34 H 2.726689 3.748948 2.803749 4.063003 3.888922 35 H 3.860441 4.274929 4.083527 4.922271 4.282793 31 32 33 34 35 31 H 0.000000 32 H 3.019357 0.000000 33 H 2.357895 1.739446 0.000000 34 H 3.800026 2.325153 2.994957 0.000000 35 H 3.723944 2.697346 2.317784 1.741984 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.054179 -1.197399 -0.315931 2 6 0 3.451260 -1.815251 1.016387 3 8 0 2.490072 -2.140977 -1.179563 4 8 0 -0.623910 2.746079 0.425359 5 6 0 0.124130 1.827657 0.253813 6 7 0 1.484543 2.059785 0.134866 7 6 0 2.484527 1.145903 -0.049608 8 8 0 3.639912 1.463408 -0.096263 9 7 0 2.050341 -0.149697 -0.148562 10 6 0 0.709201 -0.473340 -0.036398 11 6 0 -0.267165 0.414621 0.149696 12 1 0 3.905776 -0.722140 -0.774088 13 1 0 3.872440 -1.059709 1.668495 14 1 0 4.201985 -2.585745 0.864906 15 1 0 1.781399 3.009640 0.211732 16 1 0 0.519460 -1.519498 -0.132724 17 6 0 -1.748491 0.102374 0.253314 18 1 0 2.592186 -2.266100 1.501291 19 1 0 3.124650 -2.820561 -1.362505 20 6 0 -2.064037 -1.339877 0.694326 21 6 0 -3.546118 -1.719098 0.466546 22 6 0 -4.450561 -0.491917 0.346736 23 6 0 -4.028836 0.394417 -0.838634 24 6 0 -2.498826 0.423346 -1.050153 25 1 0 -2.130956 0.775339 1.013488 26 1 0 -1.449891 -2.050347 0.150281 27 1 0 -1.807494 -1.450016 1.744129 28 1 0 -3.633395 -2.302129 -0.446931 29 1 0 -3.885705 -2.363788 1.271268 30 1 0 -5.485597 -0.798723 0.229294 31 1 0 -4.406963 0.077990 1.271297 32 1 0 -4.506403 0.035472 -1.746123 33 1 0 -4.393823 1.404007 -0.678364 34 1 0 -2.207094 -0.305463 -1.803396 35 1 0 -2.198933 1.394462 -1.423005 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8128270 0.2819933 0.2277472 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1276.6178642868 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.39D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999999 0.001396 0.000196 0.000531 Ang= 0.17 deg. 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) = -798.431205886 A.U. after 12 cycles NFock= 12 Conv=0.69D-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 0.000163108 0.000039650 -0.000059555 2 6 -0.000067616 0.000019378 -0.000019637 3 8 0.000030149 -0.000128752 0.000012635 4 8 -0.000461666 -0.000136922 0.000491787 5 6 -0.000018386 0.000024384 -0.001405268 6 7 0.000015893 -0.000204394 -0.000404231 7 6 -0.000030962 -0.000148915 0.002224674 8 8 0.000163954 0.000098433 -0.000868487 9 7 -0.000071532 -0.000109410 -0.000491753 10 6 0.000042434 0.000121937 -0.000352493 11 6 0.000150886 -0.000152970 0.000941687 12 1 0.000040483 0.000058306 0.000029642 13 1 -0.000012491 0.000023625 -0.000028496 14 1 0.000007773 -0.000009522 -0.000028033 15 1 0.000003467 0.000125753 0.000017595 16 1 0.000046665 -0.000136410 -0.000052758 17 6 -0.000098298 -0.000161379 -0.000166476 18 1 -0.000031598 -0.000019320 0.000005306 19 1 -0.000201133 0.000181441 0.000078021 20 6 0.000088073 0.000607240 0.000971930 21 6 -0.000237168 -0.000063850 -0.001162693 22 6 0.000705294 0.000284653 0.000566393 23 6 -0.000096353 0.000115917 -0.000171869 24 6 -0.000191827 -0.000581569 0.000288579 25 1 0.000038270 -0.000183063 -0.000117203 26 1 -0.000154017 0.000199760 0.000129702 27 1 0.000462022 0.000157018 0.000046333 28 1 -0.000155154 0.000001138 -0.000186154 29 1 -0.000210599 -0.000120634 -0.000252383 30 1 0.000050565 -0.000122788 0.000091850 31 1 0.000023652 0.000104698 -0.000008954 32 1 -0.000049579 0.000182902 -0.000038120 33 1 -0.000199780 -0.000035523 0.000097724 34 1 0.000129898 -0.000227923 0.000099226 35 1 0.000125572 0.000197114 -0.000278520 ------------------------------------------------------------------- Cartesian Forces: Max 0.002224674 RMS 0.000378322 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000989097 RMS 0.000195818 Search for a local minimum. Step number 19 out of a maximum of 210 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= -6.22D-05 DEPred=-5.21D-05 R= 1.19D+00 TightC=F SS= 1.41D+00 RLast= 3.43D-01 DXNew= 5.0454D+00 1.0290D+00 Trust test= 1.19D+00 RLast= 3.43D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00078 0.00287 0.00442 0.00500 0.00509 Eigenvalues --- 0.00864 0.01447 0.01456 0.01553 0.01688 Eigenvalues --- 0.01877 0.01934 0.01936 0.02041 0.02276 Eigenvalues --- 0.02538 0.03253 0.03515 0.03889 0.03929 Eigenvalues --- 0.04421 0.04555 0.04723 0.04824 0.04948 Eigenvalues --- 0.05161 0.05226 0.05362 0.05404 0.05641 Eigenvalues --- 0.05730 0.06207 0.06423 0.06850 0.08046 Eigenvalues --- 0.08124 0.08247 0.08272 0.08398 0.08490 Eigenvalues --- 0.09057 0.09804 0.12083 0.12326 0.15480 Eigenvalues --- 0.15966 0.15993 0.16015 0.16088 0.16154 Eigenvalues --- 0.16302 0.18523 0.19016 0.19703 0.20716 Eigenvalues --- 0.20884 0.22579 0.23840 0.24919 0.24978 Eigenvalues --- 0.25103 0.25264 0.26587 0.26873 0.27657 Eigenvalues --- 0.28426 0.28819 0.29403 0.29939 0.30139 Eigenvalues --- 0.31339 0.34634 0.34722 0.34751 0.34788 Eigenvalues --- 0.34798 0.34806 0.34808 0.34824 0.34835 Eigenvalues --- 0.34840 0.34869 0.34891 0.34947 0.35016 Eigenvalues --- 0.35340 0.36081 0.37450 0.39388 0.40468 Eigenvalues --- 0.43831 0.44888 0.47635 0.49782 0.51579 Eigenvalues --- 0.56651 0.60006 0.87834 0.96591 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 19 18 17 16 15 14 13 RFO step: Lambda=-2.65348903D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.73246 1.27834 -0.99291 -0.45922 0.22806 RFO-DIIS coefs: 0.20351 0.00975 Iteration 1 RMS(Cart)= 0.02321398 RMS(Int)= 0.00048387 Iteration 2 RMS(Cart)= 0.00049180 RMS(Int)= 0.00030897 Iteration 3 RMS(Cart)= 0.00000014 RMS(Int)= 0.00030897 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87492 -0.00010 0.00025 -0.00035 -0.00010 2.87482 R2 2.64185 -0.00005 -0.00019 0.00004 -0.00015 2.64170 R3 2.76015 -0.00016 -0.00296 0.00289 -0.00007 2.76008 R4 2.03617 0.00005 -0.00031 0.00034 0.00003 2.03620 R5 2.04709 -0.00000 0.00008 -0.00011 -0.00003 2.04706 R6 2.05294 0.00001 -0.00035 0.00035 0.00000 2.05294 R7 2.04964 0.00004 0.00007 -0.00005 0.00001 2.04965 R8 1.79075 -0.00028 0.00366 -0.00391 -0.00025 1.79050 R9 2.26175 0.00028 -0.00042 0.00047 0.00005 2.26180 R10 2.61763 0.00004 -0.00037 0.00024 -0.00012 2.61751 R11 2.77772 -0.00035 -0.00058 0.00007 -0.00048 2.77724 R12 2.58359 0.00009 -0.00026 0.00035 0.00006 2.58365 R13 1.88619 0.00013 0.00037 -0.00027 0.00011 1.88629 R14 2.26602 0.00018 -0.00004 0.00009 0.00005 2.26607 R15 2.58892 0.00008 0.00075 -0.00067 0.00004 2.58896 R16 2.61574 -0.00006 -0.00076 0.00068 -0.00008 2.61566 R17 2.51866 -0.00004 -0.00077 0.00048 -0.00026 2.51840 R18 2.01743 0.00014 0.00027 -0.00013 0.00014 2.01757 R19 2.86751 -0.00034 -0.00287 0.00137 -0.00149 2.86601 R20 2.91174 -0.00063 0.00231 -0.00091 0.00163 2.91337 R21 2.90616 -0.00013 0.00137 -0.00079 0.00050 2.90666 R22 2.05018 -0.00020 0.00107 -0.00124 -0.00017 2.05001 R23 2.92283 0.00053 -0.00209 0.00025 -0.00156 2.92127 R24 2.05096 -0.00028 -0.00035 -0.00013 -0.00048 2.05048 R25 2.05279 0.00012 0.00009 0.00022 0.00032 2.05311 R26 2.88970 -0.00040 -0.00093 -0.00007 -0.00099 2.88871 R27 2.05449 0.00014 0.00053 -0.00020 0.00033 2.05482 R28 2.05148 -0.00006 -0.00025 0.00023 -0.00002 2.05146 R29 2.90830 -0.00024 0.00210 -0.00051 0.00140 2.90970 R30 2.05209 -0.00001 -0.00037 0.00012 -0.00025 2.05184 R31 2.05408 0.00005 0.00027 -0.00002 0.00025 2.05433 R32 2.91931 -0.00018 -0.00093 -0.00053 -0.00172 2.91759 R33 2.05316 -0.00003 0.00015 -0.00021 -0.00006 2.05309 R34 2.05118 0.00007 -0.00038 0.00048 0.00010 2.05128 R35 2.05594 0.00014 0.00001 -0.00012 -0.00011 2.05583 R36 2.04582 0.00030 -0.00095 0.00159 0.00063 2.04645 A1 1.95219 0.00002 0.00166 -0.00153 0.00011 1.95230 A2 1.95018 -0.00003 -0.00189 0.00164 -0.00025 1.94993 A3 1.92327 -0.00001 0.00295 -0.00258 0.00036 1.92363 A4 1.85210 -0.00009 -0.00587 0.00485 -0.00102 1.85108 A5 1.93258 0.00007 0.00333 -0.00292 0.00040 1.93298 A6 1.84993 0.00005 -0.00054 0.00090 0.00037 1.85030 A7 1.92347 -0.00005 0.00101 -0.00105 -0.00004 1.92343 A8 1.92441 -0.00003 -0.00163 0.00163 -0.00000 1.92441 A9 1.93222 0.00000 0.00076 -0.00093 -0.00018 1.93205 A10 1.88591 0.00004 -0.00008 0.00007 -0.00001 1.88590 A11 1.90577 0.00002 -0.00012 0.00021 0.00009 1.90585 A12 1.89111 0.00002 0.00005 0.00011 0.00016 1.89127 A13 1.91037 -0.00008 -0.00105 0.00064 -0.00041 1.90996 A14 2.09155 0.00049 -0.00044 0.00139 0.00089 2.09245 A15 2.19130 -0.00044 -0.00029 -0.00079 -0.00113 2.19017 A16 2.00034 -0.00005 0.00079 -0.00060 0.00022 2.00056 A17 2.23688 -0.00005 -0.00108 0.00038 -0.00050 2.23638 A18 2.03192 0.00001 -0.00003 0.00010 0.00028 2.03220 A19 2.01415 0.00004 0.00064 -0.00054 0.00031 2.01446 A20 2.13294 0.00005 -0.00123 0.00134 0.00017 2.13311 A21 1.99334 -0.00003 -0.00035 0.00043 0.00009 1.99343 A22 2.15670 -0.00000 0.00155 -0.00178 -0.00016 2.15654 A23 2.05874 0.00004 0.00103 -0.00137 -0.00033 2.05841 A24 2.10304 -0.00008 -0.00221 0.00216 -0.00004 2.10300 A25 2.12038 0.00005 0.00111 -0.00078 0.00033 2.12071 A26 2.17161 -0.00018 -0.00123 0.00049 -0.00069 2.17092 A27 1.97579 0.00004 0.00023 0.00005 0.00025 1.97605 A28 2.13561 0.00014 0.00097 -0.00050 0.00044 2.13605 A29 2.04354 0.00026 0.00035 0.00008 0.00053 2.04407 A30 2.04075 -0.00099 -0.00262 -0.00061 -0.00326 2.03749 A31 2.19886 0.00073 0.00226 0.00043 0.00266 2.20151 A32 1.99553 0.00009 0.00485 -0.00029 0.00396 1.99949 A33 1.95571 -0.00023 0.00354 -0.00153 0.00172 1.95742 A34 1.83833 -0.00003 -0.00392 0.00215 -0.00157 1.83675 A35 1.91562 0.00019 -0.00137 0.00078 0.00040 1.91602 A36 1.88375 -0.00001 -0.00215 0.00008 -0.00203 1.88171 A37 1.86755 -0.00002 -0.00182 -0.00117 -0.00327 1.86428 A38 1.96447 -0.00032 -0.00586 -0.00052 -0.00409 1.96037 A39 1.93198 -0.00005 0.00909 -0.00414 0.00428 1.93625 A40 1.89985 0.00001 -0.00138 0.00161 -0.00038 1.89946 A41 1.88378 0.00004 -0.00367 0.00311 -0.00135 1.88244 A42 1.92172 0.00045 0.00303 0.00008 0.00254 1.92426 A43 1.85921 -0.00012 -0.00097 -0.00014 -0.00078 1.85843 A44 1.96225 -0.00012 -0.00762 -0.00079 -0.00637 1.95587 A45 1.90937 0.00030 0.00247 -0.00010 0.00193 1.91131 A46 1.91365 0.00005 -0.00016 0.00163 0.00075 1.91441 A47 1.89342 -0.00001 -0.00021 0.00161 0.00088 1.89430 A48 1.92799 -0.00014 0.00597 -0.00232 0.00297 1.93096 A49 1.85381 -0.00007 -0.00010 0.00002 0.00021 1.85402 A50 1.93955 0.00010 -0.00710 0.00195 -0.00435 1.93519 A51 1.92355 -0.00017 0.00339 -0.00053 0.00246 1.92601 A52 1.90752 0.00005 -0.00035 -0.00023 -0.00064 1.90688 A53 1.91835 -0.00011 0.00303 -0.00069 0.00204 1.92039 A54 1.92004 0.00009 0.00181 -0.00143 0.00021 1.92025 A55 1.85288 0.00003 -0.00053 0.00086 0.00051 1.85338 A56 1.96886 -0.00028 -0.00382 -0.00166 -0.00482 1.96404 A57 1.90987 0.00010 0.00203 0.00068 0.00248 1.91235 A58 1.90689 0.00001 0.00208 -0.00076 0.00115 1.90804 A59 1.90409 0.00008 0.00048 -0.00001 0.00050 1.90459 A60 1.91328 0.00020 -0.00130 0.00204 0.00033 1.91361 A61 1.85752 -0.00010 0.00079 -0.00021 0.00067 1.85819 A62 1.94257 0.00004 -0.00482 0.00029 -0.00434 1.93822 A63 1.89249 -0.00010 0.00345 -0.00192 0.00150 1.89399 A64 1.92194 0.00001 0.00089 0.00113 0.00198 1.92393 A65 1.92605 0.00022 -0.00262 0.00279 0.00040 1.92645 A66 1.91592 -0.00017 0.00233 -0.00160 0.00045 1.91636 A67 1.86312 0.00001 0.00095 -0.00072 0.00024 1.86336 D1 -3.12857 0.00007 0.00561 -0.00468 0.00093 -3.12764 D2 1.07414 0.00008 0.00610 -0.00513 0.00098 1.07511 D3 -1.01836 0.00007 0.00661 -0.00572 0.00090 -1.01746 D4 -1.05497 -0.00006 -0.00202 0.00156 -0.00046 -1.05544 D5 -3.13545 -0.00005 -0.00152 0.00111 -0.00042 -3.13587 D6 1.05524 -0.00006 -0.00101 0.00051 -0.00050 1.05474 D7 0.99686 -0.00002 -0.00197 0.00204 0.00007 0.99693 D8 -1.08362 -0.00002 -0.00147 0.00159 0.00012 -1.08350 D9 3.10707 -0.00002 -0.00096 0.00100 0.00004 3.10711 D10 -1.06900 -0.00003 -0.00202 0.00403 0.00201 -1.06699 D11 3.08334 0.00006 0.00316 -0.00024 0.00292 3.08626 D12 1.08350 0.00002 0.00538 -0.00253 0.00285 1.08635 D13 1.64945 0.00000 -0.00705 0.00377 -0.00329 1.64616 D14 -1.44431 0.00003 -0.00570 0.00350 -0.00220 -1.44651 D15 -2.50161 -0.00006 -0.00999 0.00601 -0.00397 -2.50558 D16 0.68781 -0.00003 -0.00863 0.00575 -0.00287 0.68494 D17 -0.44596 -0.00000 -0.00924 0.00541 -0.00383 -0.44979 D18 2.74346 0.00002 -0.00788 0.00515 -0.00273 2.74073 D19 3.12962 -0.00032 -0.00202 0.00262 0.00060 3.13022 D20 0.01282 -0.00027 -0.01064 0.00601 -0.00467 0.00815 D21 -0.01325 0.00003 0.00770 -0.00130 0.00638 -0.00687 D22 -3.13005 0.00007 -0.00093 0.00209 0.00111 -3.12894 D23 -3.13659 0.00007 0.00660 -0.00856 -0.00199 -3.13859 D24 0.01311 0.00025 0.00075 0.00389 0.00463 0.01774 D25 0.00636 -0.00029 -0.00371 -0.00438 -0.00815 -0.00179 D26 -3.12712 -0.00011 -0.00956 0.00807 -0.00152 -3.12864 D27 -3.09900 -0.00042 -0.01158 0.00468 -0.00687 -3.10587 D28 0.02190 0.00028 -0.00490 0.00423 -0.00067 0.02124 D29 0.01801 -0.00046 -0.00294 0.00134 -0.00164 0.01637 D30 3.13892 0.00024 0.00374 0.00088 0.00456 -3.13971 D31 -3.11732 -0.00030 -0.00036 -0.00188 -0.00222 -3.11954 D32 -0.02406 -0.00033 -0.00182 -0.00153 -0.00334 -0.02740 D33 0.00326 0.00040 0.00638 -0.00229 0.00408 0.00734 D34 3.09652 0.00038 0.00492 -0.00195 0.00296 3.09948 D35 3.11288 0.00005 0.00381 -0.00402 -0.00020 3.11268 D36 -0.04810 0.00008 0.00111 -0.00139 -0.00028 -0.04838 D37 0.02083 0.00007 0.00522 -0.00428 0.00096 0.02179 D38 -3.14015 0.00010 0.00253 -0.00165 0.00088 -3.13927 D39 -0.01080 0.00026 -0.00209 0.00720 0.00510 -0.00570 D40 3.12185 0.00005 0.00432 -0.00653 -0.00226 3.11960 D41 -3.13130 0.00022 0.00085 0.00433 0.00519 -3.12611 D42 0.00136 0.00002 0.00726 -0.00940 -0.00217 -0.00081 D43 -2.73908 -0.00007 0.02095 -0.00840 0.01281 -2.72627 D44 1.35028 -0.00021 0.01574 -0.00794 0.00751 1.35779 D45 -0.67409 -0.00006 0.01843 -0.00704 0.01146 -0.66264 D46 0.41144 0.00013 0.01458 0.00530 0.02013 0.43156 D47 -1.78239 -0.00001 0.00937 0.00577 0.01483 -1.76756 D48 2.47642 0.00014 0.01206 0.00667 0.01877 2.49520 D49 -2.90375 0.00022 0.03430 0.00299 0.03739 -2.86636 D50 -0.79393 0.00003 0.03197 0.00369 0.03587 -0.75806 D51 1.24393 -0.00014 0.03521 0.00210 0.03716 1.28109 D52 -0.68907 0.00014 0.04187 0.00135 0.04319 -0.64588 D53 1.42075 -0.00006 0.03953 0.00205 0.04167 1.46242 D54 -2.82457 -0.00023 0.04277 0.00045 0.04296 -2.78162 D55 1.34043 0.00021 0.03774 0.00043 0.03838 1.37881 D56 -2.83293 0.00001 0.03540 0.00112 0.03686 -2.79607 D57 -0.79507 -0.00016 0.03864 -0.00047 0.03815 -0.75692 D58 -2.92669 0.00039 0.01966 0.00054 0.02056 -2.90613 D59 1.23479 0.00016 0.02368 -0.00185 0.02181 1.25660 D60 -0.79783 0.00021 0.02007 -0.00052 0.01955 -0.77828 D61 1.11960 0.00030 0.01141 0.00148 0.01363 1.13323 D62 -1.00210 0.00007 0.01543 -0.00091 0.01488 -0.98722 D63 -3.03473 0.00012 0.01182 0.00043 0.01262 -3.02210 D64 -0.92010 0.00022 0.01572 0.00162 0.01764 -0.90245 D65 -3.04180 -0.00001 0.01973 -0.00076 0.01890 -3.02290 D66 1.20876 0.00004 0.01613 0.00057 0.01664 1.22540 D67 -0.36035 -0.00033 -0.05932 -0.00106 -0.06053 -0.42088 D68 1.74446 -0.00021 -0.06273 0.00039 -0.06225 1.68221 D69 -2.51228 -0.00010 -0.06151 0.00128 -0.06046 -2.57273 D70 -2.49756 -0.00009 -0.06446 0.00233 -0.06234 -2.55990 D71 -0.39275 0.00002 -0.06787 0.00378 -0.06406 -0.45681 D72 1.63370 0.00014 -0.06665 0.00467 -0.06227 1.57143 D73 1.76277 -0.00022 -0.06284 0.00071 -0.06202 1.70075 D74 -2.41561 -0.00010 -0.06625 0.00216 -0.06374 -2.47935 D75 -0.38916 0.00001 -0.06503 0.00305 -0.06195 -0.45110 D76 1.05152 0.00045 0.02808 0.00019 0.02848 1.08001 D77 -3.10065 0.00026 0.02944 0.00027 0.02981 -3.07084 D78 -1.07075 0.00023 0.03063 0.00087 0.03145 -1.03930 D79 -1.06245 0.00016 0.02981 -0.00029 0.02952 -1.03293 D80 1.06856 -0.00003 0.03116 -0.00021 0.03085 1.09941 D81 3.09846 -0.00006 0.03236 0.00039 0.03250 3.13096 D82 -3.08777 0.00032 0.02675 0.00005 0.02710 -3.06067 D83 -0.95676 0.00014 0.02811 0.00012 0.02842 -0.92834 D84 1.07313 0.00011 0.02930 0.00073 0.03007 1.10321 D85 -0.62011 -0.00013 0.02749 0.00198 0.02895 -0.59115 D86 1.50299 -0.00014 0.02702 0.00134 0.02811 1.53110 D87 -2.75283 -0.00020 0.03029 0.00103 0.03097 -2.72186 D88 -2.75414 0.00009 0.02582 0.00181 0.02738 -2.72676 D89 -0.63104 0.00008 0.02536 0.00117 0.02653 -0.60451 D90 1.39633 0.00002 0.02862 0.00087 0.02939 1.42572 D91 1.49484 0.00007 0.02354 0.00201 0.02543 1.52027 D92 -2.66525 0.00005 0.02308 0.00137 0.02458 -2.64066 D93 -0.63788 -0.00000 0.02634 0.00106 0.02744 -0.61044 D94 -0.43145 -0.00012 -0.04278 -0.00262 -0.04556 -0.47701 D95 1.67059 -0.00008 -0.04340 -0.00298 -0.04627 1.62432 D96 -2.56379 -0.00004 -0.04241 -0.00315 -0.04547 -2.60927 D97 -2.55781 -0.00011 -0.04321 -0.00238 -0.04586 -2.60367 D98 -0.45577 -0.00007 -0.04382 -0.00273 -0.04657 -0.50234 D99 1.59303 -0.00003 -0.04283 -0.00291 -0.04577 1.54726 D100 1.69767 -0.00016 -0.04369 -0.00327 -0.04713 1.65054 D101 -2.48347 -0.00011 -0.04431 -0.00362 -0.04784 -2.53132 D102 -0.43467 -0.00008 -0.04332 -0.00379 -0.04704 -0.48172 Item Value Threshold Converged? Maximum Force 0.000989 0.000450 NO RMS Force 0.000196 0.000300 YES Maximum Displacement 0.138143 0.001800 NO RMS Displacement 0.023254 0.001200 NO Predicted change in Energy=-1.305024D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.844973 -4.964475 1.586676 2 6 0 7.230416 -5.455801 2.973889 3 8 0 6.486549 -6.019083 0.741966 4 8 0 2.587267 -1.584899 1.862206 5 6 0 3.472520 -2.387410 1.792494 6 7 0 4.789771 -1.960643 1.756502 7 6 0 5.922755 -2.723052 1.690591 8 8 0 7.020119 -2.239678 1.700839 9 7 0 5.689791 -4.071802 1.630989 10 6 0 4.405534 -4.586524 1.671077 11 6 0 3.299911 -3.846104 1.744606 12 1 0 7.649135 -4.388956 1.158741 13 1 0 7.489210 -4.617438 3.609197 14 1 0 8.094080 -6.112077 2.914032 15 1 0 4.938745 -0.974551 1.798922 16 1 0 4.377453 -5.652491 1.618054 17 6 0 1.875179 -4.365657 1.763793 18 1 0 6.413100 -6.007055 3.426146 19 1 0 7.223649 -6.605583 0.639762 20 6 0 1.726679 -5.809990 2.282104 21 6 0 0.353411 -6.423563 1.925210 22 6 0 -0.712473 -5.351869 1.696956 23 6 0 -0.334040 -4.445290 0.511326 24 6 0 1.190432 -4.231562 0.393022 25 1 0 1.342409 -3.711798 2.446037 26 1 0 2.496177 -6.452201 1.866398 27 1 0 1.871433 -5.812794 3.358874 28 1 0 0.445593 -7.017870 1.019307 29 1 0 0.044780 -7.109525 2.707961 30 1 0 -1.679329 -5.812766 1.518912 31 1 0 -0.821966 -4.757000 2.600249 32 1 0 -0.705226 -4.880361 -0.412422 33 1 0 -0.829639 -3.485722 0.620410 34 1 0 1.624415 -4.964974 -0.283207 35 1 0 1.392190 -3.256435 -0.032618 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521292 0.000000 3 O 1.397927 2.419112 0.000000 4 O 5.442932 6.146426 6.010102 0.000000 5 C 4.249359 4.993245 4.834979 1.196895 0.000000 6 N 3.643584 4.433386 4.514341 2.236824 1.385126 7 C 2.425955 3.290099 3.475855 3.528502 2.475215 8 O 2.732805 3.465303 3.935484 4.483855 3.551856 9 N 1.460573 2.468271 2.284095 3.982939 2.789184 10 C 2.469986 3.230003 2.691857 3.514595 2.391936 11 C 3.720640 4.421666 3.985196 2.373760 1.469651 12 H 1.077510 2.146683 2.045146 5.829246 4.674606 13 H 2.150830 1.083256 3.345288 6.023065 4.940367 14 H 2.153866 1.086369 2.703826 7.206017 6.040680 15 H 4.426990 5.168549 5.381463 2.430222 2.036179 16 H 2.561836 3.164865 2.313051 4.450807 3.392652 17 C 5.008872 5.597437 5.004266 2.872171 2.542790 18 H 2.158041 1.084630 2.685212 6.052964 4.941423 19 H 1.932169 2.601959 0.947494 6.942454 5.761314 20 C 5.234066 5.558339 5.007206 4.332242 3.873207 21 C 6.662126 7.023495 6.259317 5.329799 5.102645 22 C 7.568172 8.045548 7.292674 5.010555 5.129456 23 C 7.277648 8.019124 7.003603 4.305897 4.512889 24 C 5.825444 6.681395 5.600522 3.333838 3.250745 25 H 5.708407 6.163505 5.889788 2.532633 2.592006 26 H 4.604737 4.963100 4.168334 4.868156 4.181056 27 H 5.347563 5.384640 5.309431 4.541754 4.092711 28 H 6.744657 7.231478 6.129245 5.900375 5.585809 29 H 7.218112 7.378271 6.822799 6.140117 5.906425 30 H 8.566675 9.034818 8.205351 6.016357 6.192695 31 H 7.736429 8.091278 7.645944 4.714849 4.970919 32 H 7.810823 8.647117 7.372307 5.184063 5.341350 33 H 7.875280 8.624648 7.743338 4.102491 4.592237 34 H 5.545330 6.502064 5.079613 4.117620 3.790497 35 H 5.939053 6.925400 5.846768 2.795102 2.900691 6 7 8 9 10 6 N 0.000000 7 C 1.367211 0.000000 8 O 2.248424 1.199151 0.000000 9 N 2.298430 1.370018 2.265243 0.000000 10 C 2.655219 2.403095 3.513492 1.384147 0.000000 11 C 2.403079 2.853677 4.052464 2.403201 1.332678 12 H 3.798682 2.457334 2.304110 2.040254 3.289752 13 H 4.216398 3.118258 3.084740 2.729274 3.642296 14 H 5.430723 4.206775 4.197702 3.404340 4.180625 15 H 0.998183 2.009295 2.437680 3.191431 3.653355 16 H 3.717381 3.312829 4.317155 2.054502 1.067655 17 C 3.778755 4.368796 5.567239 3.828218 2.541668 18 H 4.668657 3.746634 4.187873 2.736964 3.021341 19 H 5.361561 4.227365 4.497603 3.123347 3.616902 20 C 4.947349 5.242722 6.411357 4.376244 3.007738 21 C 6.295030 6.690771 7.874022 5.839032 4.456344 22 C 6.463641 7.137014 8.335390 6.529312 5.174981 23 C 5.829011 6.595776 7.769384 6.138378 4.881448 24 C 4.468936 5.133631 6.297875 4.669295 3.477974 25 H 3.927634 4.746355 5.912601 4.437751 3.278482 26 H 5.044476 5.067435 6.183753 3.990099 2.676667 27 H 5.091498 5.361239 6.482685 4.538336 3.282387 28 H 6.707524 6.992524 8.155979 6.046080 4.692268 29 H 7.066201 7.404510 8.566508 6.500291 5.143621 30 H 7.532898 8.207770 9.406405 7.572810 6.209057 31 H 6.326382 7.103216 8.285176 6.619059 5.312173 32 H 6.589686 7.280575 8.433269 6.762065 5.526949 33 H 5.932481 6.879082 8.021137 6.623271 5.451853 34 H 4.817250 5.234293 6.362177 4.581396 3.420099 35 H 4.052601 4.876470 5.975973 4.679934 3.708363 11 12 13 14 15 11 C 0.000000 12 H 4.421954 0.000000 13 H 4.649934 2.466276 0.000000 14 H 5.430125 2.499634 1.755867 0.000000 15 H 3.306742 4.406155 4.801311 6.131377 0.000000 16 H 2.107166 3.537145 3.836537 3.962840 4.714964 17 C 1.516629 5.805618 5.914918 6.561080 4.570149 18 H 4.145991 3.047483 1.767075 1.760393 5.490690 19 H 4.922512 2.315991 3.583404 2.484654 6.186514 20 C 2.573094 6.193285 6.032423 6.405810 5.825144 21 C 3.918900 7.612798 7.550995 7.809786 7.122708 22 C 4.285887 8.434060 8.453618 8.922700 7.148957 23 C 3.884019 8.009582 8.416037 8.921009 6.442531 24 C 2.534809 6.505839 7.082887 7.586316 5.160865 25 H 2.083713 6.472285 6.321099 7.180907 4.565623 26 H 2.729938 5.595600 5.597685 5.705238 5.997944 27 H 2.917924 6.344268 5.748996 6.245702 5.937209 28 H 4.328197 7.669527 7.879222 7.931570 7.570860 29 H 4.708911 8.223612 7.902041 8.113483 7.900326 30 H 5.358314 9.443369 9.479463 9.877018 8.202783 31 H 4.307171 8.600753 8.373357 9.023890 6.937927 32 H 4.665144 8.515009 9.131885 9.487371 7.211088 33 H 4.294982 8.543725 8.911614 9.580773 6.400713 34 H 2.858528 6.221597 7.047511 7.307172 5.589590 35 H 2.673131 6.469258 7.231099 7.858293 4.597780 16 17 18 19 20 16 H 0.000000 17 C 2.817544 0.000000 18 H 2.745683 5.103953 0.000000 19 H 3.156940 5.906508 2.962965 0.000000 20 C 2.737220 1.541687 4.828065 5.791972 0.000000 21 C 4.108748 2.564530 6.256686 6.991829 1.545869 22 C 5.099407 2.770023 7.361601 8.103795 2.549850 23 C 4.988021 2.540800 7.513933 7.861426 3.040497 24 C 3.698222 1.538139 6.295116 6.488186 2.519449 25 H 3.696395 1.084819 5.651613 6.798942 2.139380 26 H 2.059225 2.179411 4.239488 4.886425 1.085068 27 H 3.055533 2.153719 4.546317 6.055435 1.086460 28 H 4.205030 3.103581 6.513507 6.801182 2.166751 29 H 4.699244 3.430835 6.502825 7.487827 2.167701 30 H 6.059714 3.845598 8.316412 8.981341 3.490467 31 H 5.366616 2.850860 7.388568 8.484851 2.775896 32 H 5.527444 3.414575 8.165452 8.182330 3.746844 33 H 5.727476 3.065558 8.166183 8.636512 3.833824 34 H 3.415654 2.147621 6.146279 5.907190 2.702838 35 H 4.168645 2.165812 6.688684 6.758313 3.462725 21 22 23 24 25 21 C 0.000000 22 C 1.528639 0.000000 23 C 2.526900 1.539746 0.000000 24 C 2.802333 2.564446 1.543921 0.000000 25 H 2.933096 2.733770 2.663006 2.123234 0.000000 26 H 2.143764 3.396303 3.724787 2.967666 3.029352 27 H 2.175505 3.106605 3.852624 3.429334 2.351026 28 H 1.087363 2.139132 2.735697 2.951360 3.710789 29 H 1.085586 2.164467 3.473738 3.867057 3.646505 30 H 2.161061 1.085788 2.166801 3.464588 3.795330 31 H 2.148168 1.087105 2.167680 3.032768 2.408474 32 H 2.994446 2.161446 1.086450 2.159444 3.705285 33 H 3.425349 2.157588 1.085490 2.165333 2.846369 34 H 2.935990 3.087358 2.176442 1.087897 3.016414 35 H 3.865598 3.436841 2.165438 1.082935 2.520628 26 27 28 29 30 26 H 0.000000 27 H 1.739721 0.000000 28 H 2.289638 2.993126 0.000000 29 H 2.673883 2.332780 1.737989 0.000000 30 H 4.238452 3.999172 2.493427 2.463326 0.000000 31 H 3.797673 2.990755 3.036054 2.509428 1.737528 32 H 4.232337 4.661681 2.818364 3.907489 2.355485 33 H 4.627476 4.495580 3.776427 4.272520 2.635226 34 H 2.755470 3.747609 2.701952 4.005175 3.857604 35 H 3.877882 4.273975 4.018829 4.916562 4.286760 31 32 33 34 35 31 H 0.000000 32 H 3.017455 0.000000 33 H 2.352864 1.739896 0.000000 34 H 3.787130 2.334755 3.004511 0.000000 35 H 3.753155 2.679653 2.327131 1.742363 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.055929 -1.195306 -0.317293 2 6 0 3.457809 -1.810235 1.014879 3 8 0 2.489710 -2.140824 -1.177289 4 8 0 -0.628966 2.742062 0.420397 5 6 0 0.121642 1.825420 0.250358 6 7 0 1.481896 2.059560 0.134333 7 6 0 2.483122 1.146706 -0.048717 8 8 0 3.637867 1.465948 -0.099810 9 7 0 2.050525 -0.149385 -0.148516 10 6 0 0.710149 -0.475403 -0.034648 11 6 0 -0.266802 0.411381 0.153003 12 1 0 3.905260 -0.719465 -0.779071 13 1 0 3.879685 -1.052903 1.664427 14 1 0 4.209322 -2.579793 0.862544 15 1 0 1.777029 3.010285 0.207742 16 1 0 0.521825 -1.521883 -0.131082 17 6 0 -1.747921 0.101912 0.256342 18 1 0 2.600719 -2.261503 1.502912 19 1 0 3.123745 -2.820967 -1.359361 20 6 0 -2.072128 -1.331598 0.721894 21 6 0 -3.541774 -1.721323 0.442671 22 6 0 -4.451143 -0.496812 0.340897 23 6 0 -4.024436 0.407816 -0.829738 24 6 0 -2.496655 0.406018 -1.052393 25 1 0 -2.131139 0.788292 1.003911 26 1 0 -1.435554 -2.054735 0.222676 27 1 0 -1.856806 -1.412609 1.783717 28 1 0 -3.599685 -2.273549 -0.492236 29 1 0 -3.894378 -2.396505 1.216167 30 1 0 -5.485155 -0.803671 0.216027 31 1 0 -4.410407 0.058599 1.274523 32 1 0 -4.517335 0.080551 -1.740957 33 1 0 -4.364742 1.421502 -0.642867 34 1 0 -2.222230 -0.345083 -1.789996 35 1 0 -2.182738 1.363273 -1.449718 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8141389 0.2820411 0.2278567 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1276.9170836139 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.35D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000313 0.000119 -0.000210 Ang= 0.05 deg. 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) = -798.431342452 A.U. after 11 cycles NFock= 11 Conv=0.60D-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 -0.000062213 0.000022593 -0.000027560 2 6 -0.000006999 -0.000004808 -0.000036208 3 8 0.000161019 -0.000142121 0.000001661 4 8 -0.000247032 0.000066288 0.000035631 5 6 0.000100593 0.000057439 -0.000149900 6 7 -0.000036178 -0.000097062 -0.000446852 7 6 -0.000056506 -0.000098109 0.001010245 8 8 0.000102475 0.000070651 -0.000361102 9 7 0.000037019 0.000031136 -0.000189477 10 6 -0.000051276 0.000077613 -0.000245694 11 6 0.000204802 -0.000114675 0.000350776 12 1 0.000039167 0.000034264 0.000015580 13 1 -0.000007261 0.000022982 -0.000019246 14 1 0.000013960 -0.000019197 -0.000009199 15 1 0.000021619 0.000065671 0.000048872 16 1 0.000014985 -0.000102782 0.000009876 17 6 -0.000502665 -0.000077115 -0.000029416 18 1 -0.000019225 -0.000015254 0.000006441 19 1 -0.000104565 0.000044006 0.000014224 20 6 0.000051598 0.000161837 0.000264126 21 6 -0.000068833 0.000143880 -0.000349327 22 6 0.000326677 0.000129216 0.000276148 23 6 0.000112145 0.000122181 -0.000036489 24 6 -0.000231364 -0.000270860 0.000263850 25 1 0.000059446 -0.000183661 -0.000125716 26 1 0.000062342 0.000136453 0.000071225 27 1 0.000115502 0.000029565 -0.000023204 28 1 -0.000018573 0.000018044 -0.000032011 29 1 -0.000090299 -0.000079926 -0.000072061 30 1 -0.000005835 -0.000120229 -0.000004575 31 1 -0.000049158 -0.000023297 -0.000008093 32 1 -0.000020432 0.000114482 -0.000034651 33 1 -0.000044634 0.000044594 0.000027144 34 1 0.000168828 -0.000129835 -0.000032783 35 1 0.000030873 0.000086035 -0.000162236 ------------------------------------------------------------------- Cartesian Forces: Max 0.001010245 RMS 0.000169935 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000327175 RMS 0.000080476 Search for a local minimum. Step number 20 out of a maximum of 210 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 DE= -1.37D-04 DEPred=-1.31D-04 R= 1.05D+00 TightC=F SS= 1.41D+00 RLast= 2.96D-01 DXNew= 5.0454D+00 8.8846D-01 Trust test= 1.05D+00 RLast= 2.96D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00057 0.00289 0.00442 0.00499 0.00511 Eigenvalues --- 0.00920 0.01448 0.01456 0.01567 0.01696 Eigenvalues --- 0.01886 0.01936 0.01940 0.02050 0.02292 Eigenvalues --- 0.02537 0.03339 0.03572 0.03921 0.03959 Eigenvalues --- 0.04504 0.04574 0.04731 0.04830 0.04958 Eigenvalues --- 0.05158 0.05247 0.05356 0.05422 0.05642 Eigenvalues --- 0.05731 0.06201 0.06427 0.06899 0.08000 Eigenvalues --- 0.08086 0.08209 0.08239 0.08390 0.08457 Eigenvalues --- 0.09025 0.09775 0.12055 0.12339 0.15529 Eigenvalues --- 0.15966 0.15995 0.16016 0.16087 0.16158 Eigenvalues --- 0.16320 0.18484 0.19181 0.19653 0.20751 Eigenvalues --- 0.20965 0.22582 0.23852 0.24954 0.24983 Eigenvalues --- 0.25101 0.25444 0.26628 0.27052 0.27821 Eigenvalues --- 0.28409 0.28957 0.29390 0.29953 0.30171 Eigenvalues --- 0.31559 0.34628 0.34723 0.34748 0.34789 Eigenvalues --- 0.34798 0.34807 0.34813 0.34824 0.34837 Eigenvalues --- 0.34848 0.34890 0.34893 0.34946 0.35028 Eigenvalues --- 0.35340 0.36083 0.37520 0.39731 0.40911 Eigenvalues --- 0.43920 0.44931 0.47714 0.49776 0.51759 Eigenvalues --- 0.56650 0.60027 0.87886 0.96590 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 20 19 18 17 16 15 14 13 RFO step: Lambda=-7.18955143D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.18989 -0.79773 -0.19524 -0.15217 0.12526 RFO-DIIS coefs: -0.00461 -0.20992 0.04451 Iteration 1 RMS(Cart)= 0.03474459 RMS(Int)= 0.00091785 Iteration 2 RMS(Cart)= 0.00101927 RMS(Int)= 0.00048015 Iteration 3 RMS(Cart)= 0.00000056 RMS(Int)= 0.00048015 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87482 -0.00005 -0.00010 -0.00005 -0.00015 2.87467 R2 2.64170 0.00005 -0.00042 0.00042 -0.00000 2.64170 R3 2.76008 0.00005 0.00037 -0.00013 0.00025 2.76033 R4 2.03620 0.00004 -0.00003 0.00010 0.00007 2.03627 R5 2.04706 0.00000 -0.00012 0.00010 -0.00002 2.04704 R6 2.05294 0.00002 0.00001 0.00004 0.00005 2.05299 R7 2.04965 0.00002 -0.00003 0.00010 0.00007 2.04972 R8 1.79050 -0.00011 -0.00061 0.00050 -0.00011 1.79040 R9 2.26180 0.00023 -0.00013 0.00031 0.00018 2.26199 R10 2.61751 0.00002 -0.00008 0.00009 0.00001 2.61752 R11 2.77724 0.00002 -0.00038 0.00064 0.00025 2.77749 R12 2.58365 0.00007 -0.00011 -0.00002 -0.00012 2.58353 R13 1.88629 0.00007 -0.00025 0.00026 0.00001 1.88631 R14 2.26607 0.00012 0.00001 0.00010 0.00011 2.26618 R15 2.58896 0.00004 0.00001 0.00015 0.00017 2.58913 R16 2.61566 0.00003 -0.00026 0.00018 -0.00008 2.61558 R17 2.51840 0.00002 -0.00012 0.00009 -0.00004 2.51835 R18 2.01757 0.00010 -0.00014 0.00030 0.00016 2.01774 R19 2.86601 0.00006 -0.00125 0.00132 0.00006 2.86608 R20 2.91337 -0.00033 0.00320 -0.00107 0.00192 2.91529 R21 2.90666 -0.00018 -0.00055 -0.00004 -0.00039 2.90627 R22 2.05001 -0.00022 0.00003 -0.00054 -0.00052 2.04949 R23 2.92127 0.00010 -0.00355 0.00046 -0.00325 2.91802 R24 2.05048 -0.00006 -0.00056 0.00011 -0.00045 2.05003 R25 2.05311 -0.00001 0.00045 -0.00048 -0.00003 2.05308 R26 2.88871 -0.00017 -0.00074 -0.00029 -0.00079 2.88792 R27 2.05482 0.00002 0.00039 -0.00020 0.00018 2.05500 R28 2.05146 0.00002 -0.00005 0.00026 0.00021 2.05166 R29 2.90970 0.00001 0.00342 -0.00023 0.00317 2.91286 R30 2.05184 0.00006 -0.00050 0.00040 -0.00009 2.05175 R31 2.05433 -0.00001 0.00054 -0.00029 0.00025 2.05458 R32 2.91759 -0.00023 -0.00378 -0.00034 -0.00417 2.91342 R33 2.05309 -0.00001 -0.00010 0.00000 -0.00010 2.05299 R34 2.05128 0.00006 0.00004 0.00025 0.00028 2.05156 R35 2.05583 0.00018 -0.00008 0.00066 0.00058 2.05640 R36 2.04645 0.00015 0.00057 0.00000 0.00057 2.04702 A1 1.95230 -0.00007 0.00035 -0.00036 -0.00001 1.95229 A2 1.94993 -0.00004 -0.00031 -0.00017 -0.00047 1.94946 A3 1.92363 0.00001 0.00043 -0.00029 0.00014 1.92377 A4 1.85108 0.00010 -0.00101 0.00127 0.00025 1.85133 A5 1.93298 0.00002 0.00006 0.00034 0.00040 1.93338 A6 1.85030 -0.00001 0.00044 -0.00076 -0.00032 1.84997 A7 1.92343 -0.00004 -0.00004 -0.00007 -0.00010 1.92332 A8 1.92441 -0.00000 0.00015 -0.00025 -0.00011 1.92430 A9 1.93205 0.00000 -0.00040 0.00029 -0.00011 1.93194 A10 1.88590 0.00002 -0.00013 0.00015 0.00001 1.88591 A11 1.90585 0.00002 0.00020 -0.00003 0.00017 1.90603 A12 1.89127 0.00000 0.00023 -0.00009 0.00015 1.89141 A13 1.90996 0.00004 -0.00039 0.00065 0.00026 1.91021 A14 2.09245 0.00017 0.00053 -0.00024 0.00030 2.09275 A15 2.19017 -0.00010 -0.00090 0.00059 -0.00029 2.18988 A16 2.00056 -0.00007 0.00035 -0.00033 -0.00001 2.00055 A17 2.23638 0.00002 -0.00041 0.00039 -0.00012 2.23626 A18 2.03220 0.00000 0.00022 -0.00004 0.00008 2.03228 A19 2.01446 -0.00002 0.00060 -0.00043 0.00008 2.01454 A20 2.13311 -0.00002 0.00023 -0.00028 -0.00007 2.13305 A21 1.99343 0.00003 0.00012 -0.00003 0.00009 1.99352 A22 2.15654 -0.00001 -0.00025 0.00028 0.00002 2.15656 A23 2.05841 0.00001 -0.00078 0.00027 -0.00051 2.05791 A24 2.10300 0.00002 0.00046 -0.00005 0.00041 2.10341 A25 2.12071 -0.00003 0.00029 -0.00023 0.00005 2.12075 A26 2.17092 -0.00003 -0.00044 0.00033 -0.00014 2.17078 A27 1.97605 0.00000 0.00001 -0.00036 -0.00033 1.97572 A28 2.13605 0.00003 0.00040 0.00008 0.00049 2.13654 A29 2.04407 0.00009 0.00029 -0.00013 0.00009 2.04416 A30 2.03749 -0.00020 -0.00313 0.00141 -0.00172 2.03577 A31 2.20151 0.00010 0.00283 -0.00132 0.00150 2.20301 A32 1.99949 -0.00009 0.00398 -0.00160 0.00341 2.00290 A33 1.95742 -0.00012 0.00126 -0.00004 0.00180 1.95922 A34 1.83675 0.00008 -0.00101 0.00151 0.00019 1.83695 A35 1.91602 0.00017 0.00033 0.00028 -0.00095 1.91507 A36 1.88171 -0.00000 -0.00196 -0.00027 -0.00231 1.87941 A37 1.86428 -0.00003 -0.00340 0.00028 -0.00277 1.86151 A38 1.96037 -0.00019 -0.00175 -0.00134 -0.00616 1.95421 A39 1.93625 -0.00007 0.00748 -0.00278 0.00554 1.94180 A40 1.89946 0.00006 -0.00264 0.00195 0.00023 1.89969 A41 1.88244 0.00013 -0.00176 0.00168 0.00089 1.88333 A42 1.92426 0.00014 -0.00051 0.00100 0.00133 1.92559 A43 1.85843 -0.00007 -0.00061 -0.00048 -0.00156 1.85687 A44 1.95587 -0.00003 -0.00564 0.00067 -0.00705 1.94882 A45 1.91131 0.00006 0.00149 -0.00049 0.00121 1.91252 A46 1.91441 0.00004 -0.00120 0.00110 0.00093 1.91534 A47 1.89430 0.00002 0.00148 -0.00039 0.00172 1.89602 A48 1.93096 -0.00006 0.00372 -0.00044 0.00387 1.93483 A49 1.85402 -0.00003 0.00056 -0.00054 -0.00031 1.85371 A50 1.93519 0.00002 -0.00237 -0.00052 -0.00452 1.93067 A51 1.92601 -0.00006 0.00317 -0.00169 0.00200 1.92801 A52 1.90688 -0.00000 -0.00240 0.00105 -0.00090 1.90598 A53 1.92039 -0.00004 0.00207 -0.00058 0.00235 1.92274 A54 1.92025 0.00007 -0.00080 0.00199 0.00129 1.92155 A55 1.85338 0.00000 0.00048 -0.00022 -0.00002 1.85337 A56 1.96404 -0.00011 -0.00312 -0.00046 -0.00612 1.95793 A57 1.91235 0.00006 0.00481 -0.00117 0.00441 1.91676 A58 1.90804 0.00004 -0.00030 0.00189 0.00232 1.91036 A59 1.90459 -0.00001 0.00005 -0.00034 0.00042 1.90501 A60 1.91361 0.00007 -0.00225 0.00063 -0.00082 1.91280 A61 1.85819 -0.00004 0.00109 -0.00057 0.00012 1.85831 A62 1.93822 -0.00002 -0.00580 -0.00011 -0.00748 1.93075 A63 1.89399 -0.00006 0.00273 -0.00029 0.00290 1.89689 A64 1.92393 0.00005 0.00314 -0.00015 0.00341 1.92734 A65 1.92645 0.00015 0.00126 0.00061 0.00190 1.92834 A66 1.91636 -0.00008 -0.00111 0.00037 0.00017 1.91653 A67 1.86336 -0.00002 0.00015 -0.00044 -0.00055 1.86281 D1 -3.12764 -0.00002 0.00103 -0.00064 0.00039 -3.12725 D2 1.07511 -0.00002 0.00113 -0.00062 0.00051 1.07562 D3 -1.01746 -0.00003 0.00100 -0.00054 0.00047 -1.01700 D4 -1.05544 0.00003 -0.00023 0.00062 0.00039 -1.05505 D5 -3.13587 0.00003 -0.00013 0.00064 0.00051 -3.13536 D6 1.05474 0.00002 -0.00026 0.00072 0.00047 1.05521 D7 0.99693 0.00000 0.00040 -0.00062 -0.00022 0.99671 D8 -1.08350 0.00000 0.00050 -0.00060 -0.00010 -1.08360 D9 3.10711 -0.00000 0.00037 -0.00052 -0.00014 3.10696 D10 -1.06699 0.00001 0.00343 0.00049 0.00391 -1.06308 D11 3.08626 0.00004 0.00426 0.00008 0.00433 3.09059 D12 1.08635 -0.00002 0.00427 0.00011 0.00438 1.09073 D13 1.64616 0.00001 -0.00701 0.00046 -0.00655 1.63961 D14 -1.44651 0.00002 -0.00613 0.00071 -0.00542 -1.45192 D15 -2.50558 -0.00004 -0.00743 0.00075 -0.00668 -2.51226 D16 0.68494 -0.00003 -0.00654 0.00100 -0.00554 0.67940 D17 -0.44979 0.00002 -0.00763 0.00138 -0.00625 -0.45604 D18 2.74073 0.00003 -0.00675 0.00163 -0.00512 2.73562 D19 3.13022 -0.00008 0.00389 0.00028 0.00418 3.13441 D20 0.00815 -0.00001 -0.00412 0.00531 0.00122 0.00937 D21 -0.00687 -0.00007 0.00601 -0.00307 0.00296 -0.00391 D22 -3.12894 -0.00000 -0.00199 0.00196 -0.00000 -3.12895 D23 -3.13859 -0.00007 -0.00321 -0.00376 -0.00696 3.13764 D24 0.01774 0.00003 0.00192 -0.00124 0.00071 0.01845 D25 -0.00179 -0.00007 -0.00549 -0.00020 -0.00566 -0.00744 D26 -3.12864 0.00003 -0.00036 0.00233 0.00202 -3.12662 D27 -3.10587 -0.00013 -0.00781 0.00560 -0.00223 -3.10810 D28 0.02124 0.00018 -0.00232 0.00318 0.00086 0.02209 D29 0.01637 -0.00020 0.00007 0.00061 0.00070 0.01707 D30 -3.13971 0.00011 0.00556 -0.00181 0.00379 -3.13592 D31 -3.11954 -0.00014 -0.00109 0.00020 -0.00089 -3.12043 D32 -0.02740 -0.00015 -0.00198 -0.00004 -0.00203 -0.02943 D33 0.00734 0.00018 0.00451 -0.00226 0.00225 0.00959 D34 3.09948 0.00017 0.00361 -0.00250 0.00111 3.10059 D35 3.11268 0.00000 0.00111 -0.00334 -0.00224 3.11044 D36 -0.04838 0.00003 -0.00101 0.00007 -0.00093 -0.04931 D37 0.02179 0.00001 0.00206 -0.00310 -0.00104 0.02075 D38 -3.13927 0.00004 -0.00006 0.00031 0.00027 -3.13900 D39 -0.00570 0.00010 0.00193 0.00310 0.00503 -0.00067 D40 3.11960 -0.00001 -0.00389 0.00033 -0.00350 3.11609 D41 -3.12611 0.00008 0.00423 -0.00061 0.00361 -3.12250 D42 -0.00081 -0.00004 -0.00158 -0.00338 -0.00492 -0.00573 D43 -2.72627 -0.00005 0.01339 -0.00235 0.01068 -2.71559 D44 1.35779 -0.00011 0.00851 -0.00136 0.00757 1.36536 D45 -0.66264 -0.00005 0.01250 -0.00256 0.00986 -0.65277 D46 0.43156 0.00006 0.01909 0.00042 0.01916 0.45072 D47 -1.76756 0.00000 0.01421 0.00141 0.01606 -1.75151 D48 2.49520 0.00006 0.01820 0.00021 0.01834 2.51354 D49 -2.86636 0.00010 0.05410 0.00138 0.05544 -2.81093 D50 -0.75806 0.00008 0.05586 0.00065 0.05622 -0.70184 D51 1.28109 0.00000 0.05783 -0.00036 0.05766 1.33875 D52 -0.64588 0.00001 0.05932 0.00029 0.05981 -0.58607 D53 1.46242 -0.00000 0.06108 -0.00044 0.06059 1.52301 D54 -2.78162 -0.00009 0.06305 -0.00146 0.06203 -2.71958 D55 1.37881 0.00006 0.05435 0.00063 0.05474 1.43355 D56 -2.79607 0.00005 0.05610 -0.00011 0.05552 -2.74055 D57 -0.75692 -0.00004 0.05807 -0.00112 0.05696 -0.69996 D58 -2.90613 0.00010 0.02682 -0.00043 0.02585 -2.88029 D59 1.25660 -0.00003 0.02710 -0.00092 0.02629 1.28289 D60 -0.77828 0.00001 0.02364 -0.00014 0.02334 -0.75494 D61 1.13323 0.00018 0.02023 0.00151 0.02064 1.15387 D62 -0.98722 0.00005 0.02051 0.00102 0.02109 -0.96613 D63 -3.02210 0.00009 0.01705 0.00180 0.01814 -3.00396 D64 -0.90245 0.00011 0.02428 0.00153 0.02538 -0.87707 D65 -3.02290 -0.00002 0.02455 0.00104 0.02583 -2.99707 D66 1.22540 0.00002 0.02109 0.00182 0.02288 1.24828 D67 -0.42088 -0.00013 -0.07862 -0.00132 -0.07982 -0.50070 D68 1.68221 -0.00009 -0.07945 -0.00171 -0.08141 1.60079 D69 -2.57273 -0.00006 -0.07861 -0.00201 -0.08056 -2.65329 D70 -2.55990 -0.00001 -0.08565 0.00188 -0.08344 -2.64333 D71 -0.45681 0.00004 -0.08649 0.00148 -0.08503 -0.54184 D72 1.57143 0.00006 -0.08565 0.00118 -0.08417 1.48726 D73 1.70075 -0.00008 -0.08364 0.00097 -0.08280 1.61795 D74 -2.47935 -0.00004 -0.08448 0.00057 -0.08439 -2.56373 D75 -0.45110 -0.00001 -0.08364 0.00027 -0.08353 -0.53463 D76 1.08001 0.00014 0.02662 0.00102 0.02677 1.10677 D77 -3.07084 0.00007 0.02979 -0.00121 0.02804 -3.04281 D78 -1.03930 0.00003 0.03075 -0.00183 0.02864 -1.01066 D79 -1.03293 0.00007 0.02739 0.00147 0.02857 -1.00436 D80 1.09941 0.00000 0.03056 -0.00076 0.02984 1.12925 D81 3.13096 -0.00003 0.03151 -0.00138 0.03044 -3.12179 D82 -3.06067 0.00013 0.02380 0.00259 0.02576 -3.03492 D83 -0.92834 0.00005 0.02696 0.00036 0.02703 -0.90131 D84 1.10321 0.00002 0.02792 -0.00026 0.02763 1.13083 D85 -0.59115 0.00000 0.05315 0.00092 0.05434 -0.53681 D86 1.53110 -0.00004 0.05449 -0.00065 0.05386 1.58496 D87 -2.72186 -0.00004 0.05835 -0.00092 0.05785 -2.66400 D88 -2.72676 0.00009 0.04936 0.00379 0.05326 -2.67350 D89 -0.60451 0.00005 0.05070 0.00222 0.05278 -0.55173 D90 1.42572 0.00005 0.05456 0.00195 0.05677 1.48249 D91 1.52027 0.00006 0.04806 0.00323 0.05112 1.57139 D92 -2.64066 0.00002 0.04939 0.00166 0.05064 -2.59002 D93 -0.61044 0.00002 0.05326 0.00139 0.05463 -0.55580 D94 -0.47701 -0.00005 -0.07180 -0.00124 -0.07282 -0.54983 D95 1.62432 -0.00005 -0.07133 -0.00128 -0.07283 1.55149 D96 -2.60927 -0.00004 -0.07104 -0.00124 -0.07227 -2.68153 D97 -2.60367 -0.00005 -0.07585 0.00078 -0.07465 -2.67832 D98 -0.50234 -0.00005 -0.07538 0.00075 -0.07465 -0.57699 D99 1.54726 -0.00004 -0.07510 0.00079 -0.07409 1.47317 D100 1.65054 -0.00003 -0.07592 0.00131 -0.07457 1.57596 D101 -2.53132 -0.00003 -0.07545 0.00127 -0.07458 -2.60589 D102 -0.48172 -0.00002 -0.07516 0.00132 -0.07402 -0.55573 Item Value Threshold Converged? Maximum Force 0.000327 0.000450 YES RMS Force 0.000080 0.000300 YES Maximum Displacement 0.180345 0.001800 NO RMS Displacement 0.034809 0.001200 NO Predicted change in Energy=-3.465633D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.842792 -4.968647 1.582911 2 6 0 7.236530 -5.447462 2.972080 3 8 0 6.478833 -6.030760 0.750055 4 8 0 2.588255 -1.584030 1.850175 5 6 0 3.473063 -2.387679 1.786531 6 7 0 4.790663 -1.962393 1.745846 7 6 0 5.922603 -2.726322 1.680976 8 8 0 7.020500 -2.243917 1.684476 9 7 0 5.688088 -4.075125 1.626857 10 6 0 4.403545 -4.588477 1.673369 11 6 0 3.299066 -3.846657 1.749506 12 1 0 7.644234 -4.396818 1.144947 13 1 0 7.499103 -4.603364 3.598162 14 1 0 8.099921 -6.104200 2.912850 15 1 0 4.940666 -0.976160 1.780875 16 1 0 4.374641 -5.654700 1.624351 17 6 0 1.872897 -4.362235 1.771557 18 1 0 6.421879 -5.994649 3.434064 19 1 0 7.213837 -6.620390 0.651337 20 6 0 1.713107 -5.797498 2.314166 21 6 0 0.369717 -6.429406 1.889439 22 6 0 -0.713049 -5.370039 1.687405 23 6 0 -0.335145 -4.420843 0.533198 24 6 0 1.190830 -4.247684 0.397914 25 1 0 1.338991 -3.695905 2.440276 26 1 0 2.511202 -6.442296 1.961833 27 1 0 1.793472 -5.774121 3.397380 28 1 0 0.501567 -6.973667 0.957257 29 1 0 0.059913 -7.162941 2.627464 30 1 0 -1.671182 -5.839849 1.487181 31 1 0 -0.838376 -4.806507 2.608714 32 1 0 -0.734982 -4.801279 -0.402567 33 1 0 -0.798543 -3.452483 0.694925 34 1 0 1.603612 -5.009155 -0.260841 35 1 0 1.412750 -3.289343 -0.055668 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521211 0.000000 3 O 1.397927 2.419037 0.000000 4 O 5.443175 6.147458 6.010015 0.000000 5 C 4.249463 4.993144 4.835388 1.196991 0.000000 6 N 3.643535 4.430759 4.515876 2.237106 1.385133 7 C 2.425775 3.286024 3.477832 3.528646 2.475090 8 O 2.732407 3.459378 3.937859 4.484162 3.551816 9 N 1.460703 2.467915 2.284419 3.983014 2.789141 10 C 2.470352 3.232694 2.690634 3.514718 2.392094 11 C 3.720835 4.422770 3.984988 2.373788 1.469783 12 H 1.077548 2.146740 2.045450 5.828554 4.674070 13 H 2.150677 1.083247 3.345165 6.023974 4.939662 14 H 2.153739 1.086396 2.703887 7.206919 6.040608 15 H 4.426876 5.165511 5.383079 2.430668 2.036241 16 H 2.562061 3.170131 2.309424 4.451127 3.393018 17 C 5.010308 5.602458 5.004208 2.869903 2.541580 18 H 2.157919 1.084666 2.684856 6.054663 4.941671 19 H 1.932293 2.600408 0.947438 6.942488 5.761762 20 C 5.247418 5.573471 5.021255 4.328336 3.873333 21 C 6.642927 7.020645 6.227232 5.329271 5.096754 22 C 7.567217 8.053086 7.282743 5.025830 5.140800 23 C 7.274941 8.020745 7.004938 4.281145 4.495225 24 C 5.819681 6.679543 5.591632 3.340197 3.255221 25 H 5.713736 6.175090 5.892909 2.523667 2.587102 26 H 4.591067 4.933459 4.168916 4.860160 4.170831 27 H 5.425562 5.469412 5.387653 4.536781 4.108995 28 H 6.680022 7.193646 6.054727 5.848056 5.527095 29 H 7.205100 7.386844 6.782996 6.174216 5.929577 30 H 8.558967 9.039150 8.185508 6.032127 6.202446 31 H 7.751059 8.108451 7.648200 4.764613 5.011508 32 H 7.835356 8.680484 7.408056 5.144846 5.322148 33 H 7.840745 8.586488 7.720800 4.036845 4.535639 34 H 5.554284 6.509505 5.082654 4.142148 3.815589 35 H 5.915266 6.909497 5.816336 2.814630 2.907161 6 7 8 9 10 6 N 0.000000 7 C 1.367145 0.000000 8 O 2.248377 1.199210 0.000000 9 N 2.298515 1.370108 2.265384 0.000000 10 C 2.655454 2.403168 3.513622 1.384104 0.000000 11 C 2.403191 2.853559 4.052417 2.403054 1.332655 12 H 3.798733 2.458026 2.305454 2.040154 3.289077 13 H 4.212061 3.111951 3.075426 2.728526 3.645206 14 H 5.428412 4.203366 4.192355 3.404094 4.182932 15 H 0.998190 2.009291 2.437665 3.191543 3.653614 16 H 3.717656 3.312822 4.317132 2.054314 1.067740 17 C 3.777997 4.368586 5.567107 3.828715 2.542638 18 H 4.665837 3.742266 4.181794 2.736606 3.025068 19 H 5.363456 4.229799 4.500919 3.123767 3.615378 20 C 4.949987 5.249086 6.418167 4.386278 3.018412 21 C 6.286461 6.677637 7.860868 5.822084 4.439310 22 C 6.473508 7.142910 8.341488 6.531081 5.175961 23 C 5.812779 6.583935 7.756930 6.131472 4.876810 24 C 4.471943 5.133271 6.297252 4.665342 3.473394 25 H 3.924453 4.746170 5.912618 4.440733 3.282731 26 H 5.031116 5.052227 6.167421 3.975967 2.664736 27 H 5.122498 5.411547 6.535916 4.603191 3.345212 28 H 6.643124 6.924691 8.086772 5.979123 4.628972 29 H 7.085404 7.412865 8.575302 6.497090 5.138609 30 H 7.540359 8.209578 9.408241 7.569189 6.205071 31 H 6.365501 7.134333 8.317633 6.640309 5.329179 32 H 6.573257 7.278052 8.428722 6.775079 5.546103 33 H 5.879117 6.831794 7.973536 6.582747 5.413830 34 H 4.844259 5.256964 6.385411 4.595516 3.428960 35 H 4.051734 4.865358 5.963882 4.661209 3.690823 11 12 13 14 15 11 C 0.000000 12 H 4.421386 0.000000 13 H 4.650855 2.466169 0.000000 14 H 5.431214 2.499658 1.755888 0.000000 15 H 3.306900 4.406198 4.796326 6.128544 0.000000 16 H 2.107497 3.535864 3.842330 3.967365 4.715254 17 C 1.516662 5.805357 5.920205 6.566036 4.569114 18 H 4.147718 3.047503 1.767205 1.760537 5.487464 19 H 4.921890 2.318009 3.582394 2.483150 6.188739 20 C 2.576798 6.205420 6.045853 6.422139 5.826392 21 C 3.907846 7.589748 7.555283 7.804434 7.116408 22 C 4.292040 8.431227 8.466299 8.927997 7.160964 23 C 3.875123 8.002831 8.414437 8.924504 6.423139 24 C 2.536194 6.498209 7.082542 7.583343 5.164951 25 H 2.083694 6.474970 6.333337 7.192592 4.561127 26 H 2.720874 5.585633 5.562229 5.679130 5.984454 27 H 2.949138 6.418865 5.827967 6.333642 5.961404 28 H 4.269877 7.595596 7.845905 7.894004 7.506933 29 H 4.718120 8.207997 7.926868 8.114438 7.925574 30 H 5.361435 9.432732 9.491009 9.878100 8.213298 31 H 4.333356 8.617722 8.398442 9.037127 6.982421 32 H 4.670788 8.530513 9.156700 9.526023 7.184145 33 H 4.249459 8.507336 8.865903 9.546384 6.344287 34 H 2.875319 6.232200 7.057860 7.312556 5.618682 35 H 2.669726 6.442000 7.219475 7.839246 4.601076 16 17 18 19 20 16 H 0.000000 17 C 2.819727 0.000000 18 H 2.753508 5.110963 0.000000 19 H 3.152831 5.905912 2.960121 0.000000 20 C 2.753180 1.542705 4.844127 5.805185 0.000000 21 C 4.087770 2.558641 6.261273 6.957827 1.544150 22 C 5.096037 2.776664 7.372119 8.091498 2.542004 23 C 4.989499 2.532275 7.519924 7.863784 3.043414 24 C 3.690596 1.537931 6.295551 6.478470 2.519270 25 H 3.703753 1.084545 5.666356 6.801965 2.138355 26 H 2.051001 2.184100 4.202528 4.885068 1.084831 27 H 3.133740 2.154769 4.633802 6.134923 1.086442 28 H 4.145527 3.059936 6.491775 6.728519 2.166197 29 H 4.679520 3.444334 6.518445 7.441645 2.166943 30 H 6.050213 3.850286 8.325379 8.958317 3.484123 31 H 5.372518 2.872143 7.402985 8.482902 2.752979 32 H 5.562821 3.423537 8.207589 8.222141 3.790282 33 H 5.698721 3.020492 8.130189 8.616018 3.798609 34 H 3.413104 2.149804 6.151359 5.907857 2.695206 35 H 4.146104 2.168314 6.677446 6.726689 3.463694 21 22 23 24 25 21 C 0.000000 22 C 1.528220 0.000000 23 C 2.523994 1.541422 0.000000 24 C 2.767451 2.558755 1.541715 0.000000 25 H 2.952108 2.753254 2.639169 2.120768 0.000000 26 H 2.142748 3.408935 3.772130 3.000925 3.024179 27 H 2.174940 3.061036 3.816531 3.419062 2.332720 28 H 1.087460 2.140100 2.719710 2.866868 3.693827 29 H 1.085694 2.166950 3.472912 3.840389 3.700192 30 H 2.162095 1.085739 2.169944 3.451464 3.816547 31 H 2.147242 1.087237 2.170194 3.052474 2.450048 32 H 3.020671 2.166092 1.086396 2.157774 3.688492 33 H 3.413761 2.160868 1.085640 2.162907 2.770299 34 H 2.857151 3.048412 2.176094 1.088202 3.015076 35 H 3.838145 3.447698 2.163837 1.083237 2.529915 26 27 28 29 30 26 H 0.000000 27 H 1.738503 0.000000 28 H 2.308715 3.010338 0.000000 29 H 2.640306 2.350919 1.737951 0.000000 30 H 4.252126 3.956893 2.507429 2.459167 0.000000 31 H 3.783377 2.912885 3.036337 2.521915 1.737583 32 H 4.338322 4.666808 2.845601 3.923059 2.350797 33 H 4.636642 4.405883 3.762691 4.270732 2.662459 34 H 2.796049 3.742165 2.560776 3.919707 3.803933 35 H 3.901028 4.271137 3.928170 4.902461 4.289067 31 32 33 34 35 31 H 0.000000 32 H 3.013060 0.000000 33 H 2.344686 1.740052 0.000000 34 H 3.773422 2.352088 3.017791 0.000000 35 H 3.803720 2.649347 2.340901 1.742492 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.054150 -1.196473 -0.319087 2 6 0 3.465360 -1.802319 1.014307 3 8 0 2.483114 -2.148078 -1.169126 4 8 0 -0.629230 2.743551 0.413773 5 6 0 0.121595 1.826020 0.248885 6 7 0 1.481677 2.059513 0.129504 7 6 0 2.482146 1.145853 -0.053178 8 8 0 3.636762 1.464874 -0.109688 9 7 0 2.048861 -0.150344 -0.149786 10 6 0 0.708850 -0.475919 -0.030977 11 6 0 -0.267014 0.411337 0.159906 12 1 0 3.899786 -0.722340 -0.789414 13 1 0 3.890456 -1.040254 1.656160 14 1 0 4.216935 -2.571852 0.861953 15 1 0 1.776997 3.010610 0.197211 16 1 0 0.520347 -1.522658 -0.125173 17 6 0 -1.748757 0.105219 0.264759 18 1 0 2.611917 -2.251525 1.510643 19 1 0 3.115206 -2.830716 -1.348300 20 6 0 -2.081050 -1.319880 0.753240 21 6 0 -3.528111 -1.728302 0.401664 22 6 0 -4.454502 -0.515114 0.327959 23 6 0 -4.019339 0.431964 -0.807672 24 6 0 -2.497005 0.391625 -1.047997 25 1 0 -2.132954 0.803523 1.000286 26 1 0 -1.411783 -2.052163 0.314261 27 1 0 -1.925780 -1.367753 1.827464 28 1 0 -3.540391 -2.233859 -0.561055 29 1 0 -3.892238 -2.449203 1.127229 30 1 0 -5.482508 -0.830939 0.178670 31 1 0 -4.433681 0.009148 1.280220 32 1 0 -4.532491 0.164744 -1.727197 33 1 0 -4.323512 1.446426 -0.569009 34 1 0 -2.245656 -0.383866 -1.768846 35 1 0 -2.167526 1.331661 -1.473648 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8146508 0.2823832 0.2279325 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.2543877147 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.33D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000170 0.000022 -0.000052 Ang= 0.02 deg. 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) = -798.431324839 A.U. after 11 cycles NFock= 11 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 -0.000075389 0.000046599 0.000040700 2 6 0.000058665 -0.000047454 -0.000024462 3 8 0.000091800 0.000001582 -0.000003375 4 8 -0.000026226 -0.000029560 0.000088599 5 6 0.000030938 0.000069880 -0.000185713 6 7 -0.000136640 -0.000055306 -0.000292003 7 6 -0.000015396 -0.000099858 0.000471400 8 8 0.000044679 -0.000033508 -0.000148601 9 7 0.000053424 0.000106770 -0.000172658 10 6 -0.000095850 0.000006699 0.000030576 11 6 0.000112859 0.000024296 0.000153993 12 1 0.000071915 -0.000046703 -0.000012781 13 1 -0.000006232 0.000004002 -0.000015315 14 1 0.000011384 -0.000018485 0.000018193 15 1 0.000032745 0.000058646 0.000061131 16 1 -0.000015604 -0.000015302 -0.000052754 17 6 0.000121414 -0.000011580 0.000045686 18 1 -0.000003996 0.000002954 -0.000006950 19 1 -0.000033946 0.000040630 0.000023601 20 6 -0.000079411 -0.000358280 -0.000393804 21 6 0.000059033 -0.000117075 0.000617360 22 6 -0.000239764 -0.000120214 -0.000237138 23 6 0.000128866 -0.000092382 -0.000138896 24 6 -0.000104128 0.000485790 -0.000015168 25 1 0.000073868 0.000063296 -0.000128053 26 1 0.000014742 0.000016586 -0.000092078 27 1 -0.000159172 -0.000104120 0.000025192 28 1 0.000006059 -0.000056967 0.000199320 29 1 -0.000042152 0.000096940 0.000163931 30 1 0.000000146 -0.000067972 -0.000059118 31 1 0.000018368 -0.000049099 -0.000036306 32 1 -0.000034799 -0.000094849 0.000017287 33 1 0.000149014 0.000060106 -0.000019968 34 1 0.000046975 0.000207287 0.000017959 35 1 -0.000058189 0.000126653 0.000060209 ------------------------------------------------------------------- Cartesian Forces: Max 0.000617360 RMS 0.000136217 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000465845 RMS 0.000088109 Search for a local minimum. Step number 21 out of a maximum of 210 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 18 20 21 DE= 1.76D-05 DEPred=-3.47D-05 R=-5.08D-01 Trust test=-5.08D-01 RLast= 4.26D-01 DXMaxT set to 1.50D+00 ITU= -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 0 Eigenvalues --- 0.00112 0.00274 0.00441 0.00461 0.00505 Eigenvalues --- 0.00948 0.01422 0.01456 0.01507 0.01702 Eigenvalues --- 0.01897 0.01937 0.01946 0.02052 0.02293 Eigenvalues --- 0.02537 0.03395 0.03617 0.03941 0.03985 Eigenvalues --- 0.04507 0.04559 0.04742 0.04834 0.04964 Eigenvalues --- 0.05162 0.05259 0.05342 0.05448 0.05644 Eigenvalues --- 0.05732 0.06211 0.06431 0.06957 0.07948 Eigenvalues --- 0.08024 0.08132 0.08214 0.08338 0.08420 Eigenvalues --- 0.08998 0.09735 0.12014 0.12265 0.15470 Eigenvalues --- 0.15951 0.15994 0.16016 0.16090 0.16157 Eigenvalues --- 0.16304 0.18414 0.18887 0.19581 0.20730 Eigenvalues --- 0.21029 0.22482 0.23851 0.24853 0.24974 Eigenvalues --- 0.25075 0.25451 0.26638 0.26970 0.27377 Eigenvalues --- 0.28381 0.28946 0.29345 0.29946 0.30103 Eigenvalues --- 0.31203 0.34632 0.34722 0.34742 0.34790 Eigenvalues --- 0.34798 0.34807 0.34816 0.34824 0.34837 Eigenvalues --- 0.34849 0.34881 0.34894 0.34946 0.35035 Eigenvalues --- 0.35330 0.36097 0.37515 0.39851 0.40365 Eigenvalues --- 0.43952 0.44884 0.47718 0.49760 0.51825 Eigenvalues --- 0.56651 0.59919 0.87917 0.96592 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 19 18 17 16 15 14 13 RFO step: Lambda=-1.04021869D-04. EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations DidBck=T Rises=T En-DIIS coefs: 0.46744 0.53256 0.00000 0.00000 0.00000 En-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02113507 RMS(Int)= 0.00028722 Iteration 2 RMS(Cart)= 0.00037315 RMS(Int)= 0.00003158 Iteration 3 RMS(Cart)= 0.00000007 RMS(Int)= 0.00003158 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87467 0.00001 0.00008 -0.00003 0.00005 2.87472 R2 2.64170 -0.00006 0.00000 -0.00004 -0.00004 2.64166 R3 2.76033 0.00010 -0.00013 -0.00028 -0.00041 2.75992 R4 2.03627 0.00003 -0.00004 0.00004 0.00000 2.03627 R5 2.04704 -0.00001 0.00001 0.00002 0.00003 2.04707 R6 2.05299 0.00002 -0.00003 0.00001 -0.00001 2.05298 R7 2.04972 -0.00000 -0.00004 0.00005 0.00001 2.04973 R8 1.79040 -0.00005 0.00006 0.00030 0.00036 1.79075 R9 2.26199 0.00000 -0.00010 0.00011 0.00001 2.26200 R10 2.61752 -0.00003 -0.00001 -0.00016 -0.00016 2.61736 R11 2.77749 -0.00000 -0.00013 0.00000 -0.00013 2.77736 R12 2.58353 0.00009 0.00007 0.00023 0.00030 2.58383 R13 1.88631 0.00007 -0.00001 0.00028 0.00027 1.88658 R14 2.26618 0.00003 -0.00006 0.00007 0.00001 2.26619 R15 2.58913 -0.00010 -0.00009 0.00003 -0.00006 2.58907 R16 2.61558 0.00010 0.00004 0.00013 0.00018 2.61575 R17 2.51835 0.00001 0.00002 -0.00018 -0.00016 2.51820 R18 2.01774 0.00002 -0.00009 0.00027 0.00018 2.01792 R19 2.86608 0.00010 -0.00003 -0.00025 -0.00029 2.86579 R20 2.91529 0.00047 -0.00102 0.00013 -0.00088 2.91441 R21 2.90627 0.00005 0.00021 0.00022 0.00042 2.90669 R22 2.04949 -0.00008 0.00028 -0.00026 0.00002 2.04951 R23 2.91802 -0.00017 0.00173 0.00035 0.00208 2.92010 R24 2.05003 0.00003 0.00024 0.00001 0.00025 2.05028 R25 2.05308 0.00001 0.00002 -0.00004 -0.00002 2.05306 R26 2.88792 0.00011 0.00042 -0.00015 0.00026 2.88817 R27 2.05500 -0.00014 -0.00010 -0.00016 -0.00026 2.05474 R28 2.05166 0.00006 -0.00011 0.00004 -0.00007 2.05160 R29 2.91286 0.00032 -0.00169 0.00043 -0.00125 2.91161 R30 2.05175 0.00004 0.00005 0.00007 0.00012 2.05187 R31 2.05458 -0.00006 -0.00013 -0.00007 -0.00020 2.05438 R32 2.91342 0.00002 0.00222 -0.00052 0.00171 2.91513 R33 2.05299 0.00003 0.00005 -0.00001 0.00005 2.05304 R34 2.05156 -0.00001 -0.00015 0.00004 -0.00012 2.05145 R35 2.05640 -0.00014 -0.00031 0.00012 -0.00019 2.05621 R36 2.04702 0.00007 -0.00030 0.00017 -0.00013 2.04689 A1 1.95229 -0.00003 0.00001 -0.00017 -0.00017 1.95212 A2 1.94946 0.00005 0.00025 -0.00016 0.00010 1.94955 A3 1.92377 -0.00003 -0.00007 0.00024 0.00017 1.92394 A4 1.85133 0.00001 -0.00014 -0.00061 -0.00074 1.85059 A5 1.93338 -0.00001 -0.00021 0.00052 0.00031 1.93368 A6 1.84997 0.00002 0.00017 0.00016 0.00034 1.85031 A7 1.92332 -0.00003 0.00006 -0.00006 -0.00000 1.92332 A8 1.92430 0.00004 0.00006 -0.00010 -0.00004 1.92426 A9 1.93194 -0.00001 0.00006 0.00009 0.00015 1.93209 A10 1.88591 -0.00000 -0.00001 0.00007 0.00006 1.88597 A11 1.90603 0.00001 -0.00009 0.00001 -0.00008 1.90595 A12 1.89141 -0.00001 -0.00008 -0.00002 -0.00010 1.89132 A13 1.91021 -0.00003 -0.00014 -0.00012 -0.00025 1.90996 A14 2.09275 0.00006 -0.00016 0.00056 0.00040 2.09314 A15 2.18988 -0.00003 0.00016 -0.00052 -0.00036 2.18951 A16 2.00055 -0.00003 0.00000 -0.00004 -0.00004 2.00051 A17 2.23626 0.00001 0.00006 -0.00023 -0.00017 2.23609 A18 2.03228 0.00002 -0.00004 0.00035 0.00030 2.03258 A19 2.01454 -0.00003 -0.00004 -0.00019 -0.00023 2.01431 A20 2.13305 0.00005 0.00003 -0.00022 -0.00019 2.13286 A21 1.99352 0.00003 -0.00005 0.00011 0.00006 1.99358 A22 2.15656 -0.00008 -0.00001 0.00018 0.00017 2.15673 A23 2.05791 -0.00003 0.00027 0.00024 0.00051 2.05842 A24 2.10341 0.00008 -0.00022 -0.00030 -0.00051 2.10289 A25 2.12075 -0.00004 -0.00002 0.00005 0.00003 2.12078 A26 2.17078 0.00001 0.00007 -0.00037 -0.00029 2.17049 A27 1.97572 0.00001 0.00018 0.00017 0.00035 1.97606 A28 2.13654 -0.00002 -0.00026 0.00020 -0.00006 2.13648 A29 2.04416 0.00002 -0.00005 0.00040 0.00036 2.04451 A30 2.03577 0.00000 0.00092 -0.00091 0.00001 2.03578 A31 2.20301 -0.00003 -0.00080 0.00046 -0.00033 2.20268 A32 2.00290 0.00010 -0.00182 -0.00009 -0.00197 2.00093 A33 1.95922 -0.00011 -0.00096 -0.00087 -0.00187 1.95735 A34 1.83695 0.00003 -0.00010 0.00039 0.00031 1.83726 A35 1.91507 0.00009 0.00051 0.00065 0.00126 1.91633 A36 1.87941 -0.00009 0.00123 0.00019 0.00142 1.88083 A37 1.86151 -0.00005 0.00148 -0.00026 0.00120 1.86270 A38 1.95421 0.00016 0.00328 0.00095 0.00441 1.95863 A39 1.94180 0.00004 -0.00295 -0.00119 -0.00419 1.93760 A40 1.89969 -0.00006 -0.00012 0.00004 -0.00014 1.89955 A41 1.88333 -0.00004 -0.00047 0.00011 -0.00042 1.88291 A42 1.92559 -0.00017 -0.00071 0.00008 -0.00068 1.92491 A43 1.85687 0.00006 0.00083 -0.00004 0.00081 1.85768 A44 1.94882 -0.00003 0.00376 0.00075 0.00462 1.95344 A45 1.91252 -0.00011 -0.00065 0.00006 -0.00059 1.91193 A46 1.91534 0.00009 -0.00049 0.00031 -0.00025 1.91509 A47 1.89602 -0.00001 -0.00091 0.00013 -0.00082 1.89520 A48 1.93483 0.00005 -0.00206 -0.00117 -0.00326 1.93156 A49 1.85371 0.00001 0.00016 -0.00012 0.00007 1.85378 A50 1.93067 0.00016 0.00241 0.00210 0.00462 1.93530 A51 1.92801 -0.00007 -0.00107 -0.00132 -0.00242 1.92559 A52 1.90598 -0.00007 0.00048 -0.00041 0.00003 1.90602 A53 1.92274 0.00008 -0.00125 -0.00000 -0.00131 1.92143 A54 1.92155 -0.00016 -0.00069 -0.00044 -0.00113 1.92042 A55 1.85337 0.00005 0.00001 -0.00005 -0.00002 1.85335 A56 1.95793 0.00011 0.00326 0.00055 0.00399 1.96192 A57 1.91676 -0.00003 -0.00235 0.00065 -0.00176 1.91500 A58 1.91036 -0.00001 -0.00123 -0.00071 -0.00200 1.90836 A59 1.90501 0.00002 -0.00023 0.00046 0.00018 1.90519 A60 1.91280 -0.00014 0.00043 -0.00101 -0.00063 1.91217 A61 1.85831 0.00005 -0.00006 0.00004 0.00000 1.85832 A62 1.93075 -0.00004 0.00398 0.00056 0.00467 1.93542 A63 1.89689 -0.00006 -0.00155 -0.00087 -0.00246 1.89443 A64 1.92734 0.00006 -0.00182 0.00034 -0.00152 1.92582 A65 1.92834 -0.00004 -0.00101 0.00000 -0.00102 1.92732 A66 1.91653 0.00009 -0.00009 0.00002 -0.00014 1.91639 A67 1.86281 -0.00001 0.00029 -0.00008 0.00024 1.86304 D1 -3.12725 -0.00002 -0.00021 0.00050 0.00029 -3.12696 D2 1.07562 -0.00003 -0.00027 0.00052 0.00024 1.07587 D3 -1.01700 -0.00003 -0.00025 0.00054 0.00029 -1.01670 D4 -1.05505 -0.00000 -0.00021 -0.00049 -0.00070 -1.05574 D5 -3.13536 -0.00001 -0.00027 -0.00047 -0.00074 -3.13610 D6 1.05521 -0.00001 -0.00025 -0.00045 -0.00069 1.05451 D7 0.99671 0.00004 0.00012 -0.00023 -0.00011 0.99660 D8 -1.08360 0.00003 0.00005 -0.00021 -0.00016 -1.08376 D9 3.10696 0.00003 0.00008 -0.00018 -0.00011 3.10686 D10 -1.06308 0.00004 -0.00208 -0.00011 -0.00219 -1.06527 D11 3.09059 -0.00000 -0.00231 0.00058 -0.00172 3.08887 D12 1.09073 -0.00003 -0.00233 0.00047 -0.00186 1.08887 D13 1.63961 0.00001 0.00349 0.00060 0.00408 1.64369 D14 -1.45192 0.00002 0.00288 0.00069 0.00357 -1.44835 D15 -2.51226 0.00001 0.00356 -0.00010 0.00345 -2.50880 D16 0.67940 0.00002 0.00295 -0.00001 0.00294 0.68234 D17 -0.45604 0.00000 0.00333 0.00028 0.00361 -0.45243 D18 2.73562 0.00002 0.00272 0.00038 0.00310 2.73872 D19 3.13441 -0.00008 -0.00223 -0.00528 -0.00751 3.12690 D20 0.00937 -0.00002 -0.00065 0.00001 -0.00064 0.00873 D21 -0.00391 -0.00003 -0.00158 -0.00396 -0.00553 -0.00945 D22 -3.12895 0.00004 0.00000 0.00133 0.00133 -3.12761 D23 3.13764 0.00001 0.00371 0.00130 0.00501 -3.14054 D24 0.01845 0.00006 -0.00038 0.00375 0.00338 0.02183 D25 -0.00744 -0.00004 0.00301 -0.00010 0.00291 -0.00453 D26 -3.12662 0.00001 -0.00107 0.00235 0.00128 -3.12534 D27 -3.10810 -0.00005 0.00119 -0.00059 0.00060 -3.10751 D28 0.02209 0.00009 -0.00046 0.00562 0.00517 0.02726 D29 0.01707 -0.00011 -0.00037 -0.00583 -0.00620 0.01087 D30 -3.13592 0.00003 -0.00202 0.00038 -0.00163 -3.13755 D31 -3.12043 -0.00008 0.00047 -0.00321 -0.00274 -3.12317 D32 -0.02943 -0.00009 0.00108 -0.00332 -0.00224 -0.03167 D33 0.00959 0.00007 -0.00120 0.00309 0.00190 0.01149 D34 3.10059 0.00006 -0.00059 0.00299 0.00240 3.10299 D35 3.11044 0.00001 0.00119 -0.00031 0.00088 3.11132 D36 -0.04931 -0.00001 0.00049 0.00028 0.00077 -0.04854 D37 0.02075 0.00002 0.00056 -0.00022 0.00034 0.02108 D38 -3.13900 0.00000 -0.00014 0.00037 0.00023 -3.13878 D39 -0.00067 0.00005 -0.00268 0.00199 -0.00069 -0.00136 D40 3.11609 -0.00001 0.00187 -0.00074 0.00113 3.11722 D41 -3.12250 0.00007 -0.00192 0.00135 -0.00057 -3.12307 D42 -0.00573 0.00001 0.00262 -0.00138 0.00124 -0.00449 D43 -2.71559 0.00003 -0.00569 0.00040 -0.00527 -2.72086 D44 1.36536 -0.00010 -0.00403 0.00033 -0.00373 1.36163 D45 -0.65277 -0.00000 -0.00525 0.00085 -0.00440 -0.65717 D46 0.45072 0.00008 -0.01020 0.00310 -0.00708 0.44364 D47 -1.75151 -0.00004 -0.00855 0.00304 -0.00554 -1.75705 D48 2.51354 0.00005 -0.00977 0.00355 -0.00621 2.50733 D49 -2.81093 -0.00006 -0.02952 -0.00373 -0.03325 -2.84418 D50 -0.70184 0.00003 -0.02994 -0.00376 -0.03368 -0.73552 D51 1.33875 0.00009 -0.03071 -0.00448 -0.03520 1.30355 D52 -0.58607 -0.00004 -0.03185 -0.00443 -0.03631 -0.62238 D53 1.52301 0.00004 -0.03227 -0.00447 -0.03674 1.48627 D54 -2.71958 0.00011 -0.03304 -0.00519 -0.03826 -2.75784 D55 1.43355 -0.00010 -0.02915 -0.00430 -0.03344 1.40011 D56 -2.74055 -0.00001 -0.02957 -0.00433 -0.03387 -2.77442 D57 -0.69996 0.00005 -0.03033 -0.00506 -0.03539 -0.73535 D58 -2.88029 -0.00015 -0.01377 -0.00179 -0.01553 -2.89581 D59 1.28289 -0.00004 -0.01400 -0.00158 -0.01559 1.26730 D60 -0.75494 -0.00003 -0.01243 -0.00117 -0.01359 -0.76852 D61 1.15387 -0.00028 -0.01099 -0.00151 -0.01244 1.14143 D62 -0.96613 -0.00017 -0.01123 -0.00130 -0.01251 -0.97864 D63 -3.00396 -0.00015 -0.00966 -0.00089 -0.01050 -3.01446 D64 -0.87707 -0.00020 -0.01352 -0.00193 -0.01542 -0.89249 D65 -2.99707 -0.00009 -0.01375 -0.00172 -0.01549 -3.01256 D66 1.24828 -0.00007 -0.01219 -0.00130 -0.01348 1.23480 D67 -0.50070 0.00025 0.04251 0.00751 0.05002 -0.45068 D68 1.60079 0.00015 0.04336 0.00820 0.05158 1.65237 D69 -2.65329 0.00015 0.04290 0.00828 0.05118 -2.60211 D70 -2.64333 0.00013 0.04444 0.00832 0.05274 -2.59060 D71 -0.54184 0.00002 0.04528 0.00901 0.05430 -0.48754 D72 1.48726 0.00003 0.04483 0.00908 0.05389 1.54116 D73 1.61795 0.00017 0.04409 0.00827 0.05237 1.67032 D74 -2.56373 0.00006 0.04494 0.00896 0.05393 -2.50981 D75 -0.53463 0.00006 0.04449 0.00903 0.05353 -0.48111 D76 1.10677 -0.00031 -0.01425 -0.00489 -0.01908 1.08769 D77 -3.04281 -0.00014 -0.01493 -0.00437 -0.01926 -3.06207 D78 -1.01066 -0.00017 -0.01525 -0.00543 -0.02065 -1.03131 D79 -1.00436 -0.00015 -0.01521 -0.00553 -0.02072 -1.02508 D80 1.12925 0.00002 -0.01589 -0.00501 -0.02090 1.10835 D81 -3.12179 -0.00001 -0.01621 -0.00606 -0.02229 3.13910 D82 -3.03492 -0.00018 -0.01372 -0.00481 -0.01848 -3.05340 D83 -0.90131 -0.00002 -0.01439 -0.00428 -0.01866 -0.91997 D84 1.13083 -0.00004 -0.01471 -0.00534 -0.02005 1.11078 D85 -0.53681 0.00001 -0.02894 -0.00146 -0.03041 -0.56722 D86 1.58496 0.00008 -0.02868 -0.00005 -0.02873 1.55623 D87 -2.66400 0.00012 -0.03081 -0.00005 -0.03088 -2.69489 D88 -2.67350 -0.00007 -0.02836 -0.00121 -0.02957 -2.70308 D89 -0.55173 0.00001 -0.02811 0.00020 -0.02789 -0.57962 D90 1.48249 0.00004 -0.03023 0.00021 -0.03004 1.45245 D91 1.57139 -0.00008 -0.02722 -0.00089 -0.02810 1.54329 D92 -2.59002 -0.00000 -0.02697 0.00052 -0.02642 -2.61644 D93 -0.55580 0.00003 -0.02910 0.00053 -0.02857 -0.58437 D94 -0.54983 0.00018 0.03878 0.00393 0.04270 -0.50713 D95 1.55149 0.00006 0.03878 0.00321 0.04201 1.59350 D96 -2.68153 0.00007 0.03849 0.00312 0.04160 -2.63993 D97 -2.67832 0.00013 0.03975 0.00243 0.04215 -2.63617 D98 -0.57699 0.00001 0.03976 0.00170 0.04146 -0.53553 D99 1.47317 0.00002 0.03946 0.00162 0.04105 1.51422 D100 1.57596 0.00014 0.03971 0.00269 0.04240 1.61837 D101 -2.60589 0.00002 0.03972 0.00196 0.04171 -2.56418 D102 -0.55573 0.00003 0.03942 0.00188 0.04130 -0.51443 Item Value Threshold Converged? Maximum Force 0.000466 0.000450 NO RMS Force 0.000088 0.000300 YES Maximum Displacement 0.101514 0.001800 NO RMS Displacement 0.021128 0.001200 NO Predicted change in Energy=-5.522180D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.844135 -4.965162 1.583653 2 6 0 7.233338 -5.453479 2.970819 3 8 0 6.482404 -6.021633 0.742727 4 8 0 2.586002 -1.586196 1.861981 5 6 0 3.471949 -2.388084 1.792162 6 7 0 4.788923 -1.961079 1.752158 7 6 0 5.921955 -2.723820 1.689051 8 8 0 7.019200 -2.239927 1.693595 9 7 0 5.689012 -4.072641 1.629710 10 6 0 4.404891 -4.587631 1.672396 11 6 0 3.299730 -3.847037 1.749136 12 1 0 7.646917 -4.390372 1.152062 13 1 0 7.494008 -4.613686 3.603474 14 1 0 8.096793 -6.109961 2.909857 15 1 0 4.938147 -0.974781 1.792394 16 1 0 4.376901 -5.653798 1.619725 17 6 0 1.874321 -4.364374 1.768479 18 1 0 6.417219 -6.003697 3.426582 19 1 0 7.218390 -6.609827 0.641000 20 6 0 1.719948 -5.804379 2.298620 21 6 0 0.358495 -6.425905 1.913979 22 6 0 -0.712934 -5.359212 1.690203 23 6 0 -0.331897 -4.435564 0.517333 24 6 0 1.193258 -4.239050 0.395030 25 1 0 1.340084 -3.704334 2.443164 26 1 0 2.501872 -6.448140 1.909632 27 1 0 1.838215 -5.795150 3.378555 28 1 0 0.467951 -7.004318 0.999797 29 1 0 0.046216 -7.127712 2.681183 30 1 0 -1.675224 -5.825083 1.500651 31 1 0 -0.832457 -4.776011 2.599841 32 1 0 -0.714072 -4.847214 -0.412612 33 1 0 -0.813251 -3.471349 0.647975 34 1 0 1.620007 -4.985145 -0.272196 35 1 0 1.404553 -3.271250 -0.043115 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521237 0.000000 3 O 1.397905 2.418904 0.000000 4 O 5.443030 6.146799 6.008975 0.000000 5 C 4.249288 4.993388 4.833926 1.196997 0.000000 6 N 3.643735 4.433639 4.513860 2.237288 1.385046 7 C 2.425931 3.288418 3.476379 3.528835 2.475052 8 O 2.733065 3.464689 3.936192 4.484302 3.551712 9 N 1.460487 2.467839 2.283590 3.983093 2.789174 10 C 2.469882 3.230435 2.690113 3.514671 2.392223 11 C 3.720268 4.421135 3.983860 2.373509 1.469713 12 H 1.077550 2.146886 2.045644 5.829258 4.674317 13 H 2.150709 1.083260 3.345076 6.023871 4.940761 14 H 2.153726 1.086389 2.703795 7.206339 6.040761 15 H 4.427132 5.168686 5.381194 2.431307 2.036458 16 H 2.561789 3.166199 2.310318 4.451000 3.393164 17 C 5.009407 5.599182 5.003310 2.869409 2.541397 18 H 2.158054 1.084671 2.684706 6.053141 4.941519 19 H 1.932248 2.601042 0.947626 6.941663 5.760565 20 C 5.241446 5.565290 5.014877 4.328253 3.872607 21 C 6.656306 7.023246 6.248002 5.327971 5.100238 22 C 7.568086 8.049355 7.287620 5.014792 5.133347 23 C 7.274128 8.018012 7.000080 4.294312 4.504065 24 C 5.820006 6.677731 5.592277 3.336063 3.251228 25 H 5.711656 6.169957 5.891079 2.525192 2.588661 26 H 4.600080 4.949974 4.169918 4.862906 4.175992 27 H 5.382358 5.421286 5.344846 4.535911 4.098028 28 H 6.719729 7.215296 6.099623 5.880948 5.564303 29 H 7.217541 7.385234 6.812162 6.150611 5.915242 30 H 8.563050 9.036701 8.195119 6.021360 6.196074 31 H 7.745869 8.102694 7.649029 4.733416 4.988232 32 H 7.818278 8.658897 7.382638 5.167059 5.332084 33 H 7.857642 8.606512 7.729134 4.072166 4.565695 34 H 5.544013 6.499690 5.074178 4.128040 3.799472 35 H 5.924927 6.915248 5.828098 2.804393 2.902128 6 7 8 9 10 6 N 0.000000 7 C 1.367303 0.000000 8 O 2.248404 1.199216 0.000000 9 N 2.298662 1.370074 2.265463 0.000000 10 C 2.655676 2.403238 3.513798 1.384198 0.000000 11 C 2.403028 2.853295 4.052203 2.402879 1.332572 12 H 3.798645 2.457895 2.304713 2.040219 3.289436 13 H 4.216774 3.115760 3.083475 2.728825 3.643129 14 H 5.430975 4.205501 4.197341 3.403948 4.180783 15 H 0.998334 2.009401 2.437445 3.191708 3.653962 16 H 3.717993 3.313121 4.317606 2.054700 1.067835 17 C 3.777697 4.368189 5.566747 3.828346 2.542216 18 H 4.668812 3.744582 4.187075 2.736423 3.021900 19 H 5.361701 4.228499 4.499296 3.123116 3.615084 20 C 4.948554 5.245788 6.415096 4.381761 3.013561 21 C 6.292022 6.686413 7.869941 5.833787 4.450947 22 C 6.466961 7.139122 8.337617 6.530225 5.175692 23 C 5.819851 6.588904 7.761639 6.133550 4.877956 24 C 4.467634 5.131373 6.294789 4.665183 3.473868 25 H 3.925674 4.745907 5.912588 4.439654 3.281362 26 H 5.038761 5.061244 6.177539 3.984873 2.671939 27 H 5.104111 5.381861 6.505483 4.566633 3.310122 28 H 6.683644 6.967345 8.130169 6.020880 4.668218 29 H 7.074635 7.409650 8.572531 6.502323 5.144679 30 H 7.535183 8.207951 9.406571 7.570976 6.207140 31 H 6.343684 7.117803 8.300695 6.630645 5.322167 32 H 6.580194 7.277544 8.428378 6.765392 5.533392 33 H 5.906309 6.856067 7.997313 6.603392 5.433648 34 H 4.825454 5.240882 6.368033 4.583308 3.419800 35 H 4.048890 4.868984 5.966913 4.668743 3.698359 11 12 13 14 15 11 C 0.000000 12 H 4.421509 0.000000 13 H 4.649547 2.466308 0.000000 14 H 5.429541 2.499844 1.755931 0.000000 15 H 3.306983 4.406100 4.801465 6.131545 0.000000 16 H 2.107470 3.536659 3.838417 3.963599 4.715720 17 C 1.516510 5.805473 5.916946 6.562696 4.569129 18 H 4.145328 3.047690 1.767172 1.760473 5.490739 19 H 4.921064 2.317499 3.582848 2.483781 6.186999 20 C 2.574651 6.200240 6.038225 6.413357 5.825640 21 C 3.915174 7.605590 7.553415 7.808511 7.120585 22 C 4.288545 8.432992 8.459924 8.925384 7.153208 23 C 3.879744 8.004148 8.414320 8.920235 6.432430 24 C 2.534660 6.499670 7.080531 7.581785 5.160646 25 H 2.083806 6.474081 6.328034 7.187347 4.562895 26 H 2.725449 5.592836 5.581733 5.693677 5.992231 27 H 2.930218 6.377436 5.782252 6.283994 5.946549 28 H 4.306843 7.641561 7.865096 7.915013 7.547594 29 H 4.713480 8.222038 7.914579 8.117876 7.910720 30 H 5.359531 9.438338 9.484944 9.877213 8.206535 31 H 4.319915 8.610724 8.388305 9.033662 6.957096 32 H 4.667346 8.518395 9.140901 9.500773 7.197594 33 H 4.274379 8.524855 8.891033 9.563853 6.373470 34 H 2.864008 6.221407 7.047176 7.303384 5.599607 35 H 2.671215 6.453525 7.223656 7.846298 4.596645 16 17 18 19 20 16 H 0.000000 17 C 2.819158 0.000000 18 H 2.747737 5.106331 0.000000 19 H 3.153720 5.905281 2.961205 0.000000 20 C 2.746447 1.542237 4.834913 5.799079 0.000000 21 C 4.102478 2.562968 6.258943 6.979431 1.545249 22 C 5.098841 2.773034 7.366781 8.097578 2.547010 23 C 4.987198 2.537288 7.514874 7.858087 3.042483 24 C 3.692828 1.538153 6.292381 6.479452 2.520181 25 H 3.701448 1.084556 5.659636 6.800306 2.139014 26 H 2.056881 2.180786 4.222394 4.886831 1.084963 27 H 3.091665 2.154245 4.584002 6.091320 1.086432 28 H 4.181878 3.088374 6.502640 6.771468 2.166631 29 H 4.696164 3.436719 6.512198 7.474666 2.167705 30 H 6.055720 3.847684 8.320382 8.969459 3.487747 31 H 5.372947 2.861338 7.399225 8.486229 2.768221 32 H 5.540666 3.419075 8.181209 8.193953 3.767147 33 H 5.713586 3.045664 8.149426 8.623071 3.819000 34 H 3.409828 2.148112 6.142609 5.900458 2.700041 35 H 4.156492 2.167366 6.680710 6.739051 3.464093 21 22 23 24 25 21 C 0.000000 22 C 1.528356 0.000000 23 C 2.527591 1.540759 0.000000 24 C 2.790407 2.562383 1.542619 0.000000 25 H 2.941174 2.742345 2.653120 2.121870 0.000000 26 H 2.143496 3.401308 3.744223 2.981035 3.027025 27 H 2.175409 3.090136 3.839851 3.426200 2.344057 28 H 1.087324 2.139515 2.733317 2.922075 3.705917 29 H 1.085658 2.164704 3.474605 3.858312 3.667461 30 H 2.160519 1.085802 2.168457 3.459204 3.804996 31 H 2.147306 1.087129 2.168710 3.041881 2.427546 32 H 3.009268 2.164249 1.086421 2.158717 3.698809 33 H 3.421280 2.158780 1.085579 2.163198 2.813155 34 H 2.906297 3.071409 2.176080 1.088101 3.015296 35 H 3.856981 3.442053 2.164483 1.083168 2.524540 26 27 28 29 30 26 H 0.000000 27 H 1.739129 0.000000 28 H 2.296512 2.999701 0.000000 29 H 2.662209 2.339512 1.737857 0.000000 30 H 4.243065 3.983928 2.496928 2.460458 0.000000 31 H 3.793436 2.962690 3.035878 2.511808 1.737534 32 H 4.277626 4.667516 2.836402 3.917943 2.353851 33 H 4.630670 4.459417 3.774537 4.271020 2.647663 34 H 2.770995 3.745892 2.649954 3.973645 3.834975 35 H 3.887153 4.273870 3.987566 4.913164 4.288392 31 32 33 34 35 31 H 0.000000 32 H 3.015619 0.000000 33 H 2.347828 1.740024 0.000000 34 H 3.782448 2.342364 3.009824 0.000000 35 H 3.775413 2.666226 2.331588 1.742508 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.055294 -1.195574 -0.318574 2 6 0 3.460600 -1.808241 1.013539 3 8 0 2.486167 -2.142526 -1.175028 4 8 0 -0.630027 2.741281 0.420452 5 6 0 0.121373 1.825127 0.250567 6 7 0 1.481196 2.059673 0.131298 7 6 0 2.482639 1.146284 -0.048563 8 8 0 3.637008 1.466287 -0.104681 9 7 0 2.050030 -0.149853 -0.148471 10 6 0 0.709842 -0.476212 -0.032758 11 6 0 -0.266445 0.410552 0.157663 12 1 0 3.903180 -0.720068 -0.783436 13 1 0 3.884079 -1.049726 1.660666 14 1 0 4.211826 -2.577950 0.860411 15 1 0 1.776487 3.010654 0.202777 16 1 0 0.521580 -1.522899 -0.129069 17 6 0 -1.747970 0.103455 0.260509 18 1 0 2.604797 -2.258839 1.504533 19 1 0 3.118930 -2.824231 -1.356365 20 6 0 -2.076878 -1.325593 0.738146 21 6 0 -3.537785 -1.723261 0.429264 22 6 0 -4.452924 -0.503058 0.331816 23 6 0 -4.019612 0.417478 -0.825246 24 6 0 -2.493849 0.398703 -1.051896 25 1 0 -2.132567 0.796502 1.000801 26 1 0 -1.426271 -2.053468 0.264805 27 1 0 -1.886258 -1.391204 1.805710 28 1 0 -3.576424 -2.261719 -0.514580 29 1 0 -3.897813 -2.412805 1.186604 30 1 0 -5.483894 -0.814788 0.194363 31 1 0 -4.423819 0.041821 1.272086 32 1 0 -4.519878 0.115403 -1.741104 33 1 0 -4.343754 1.432557 -0.617818 34 1 0 -2.227500 -0.364309 -1.780479 35 1 0 -2.172171 1.348035 -1.462439 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8143286 0.2822011 0.2279547 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.0796776907 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.34D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000064 0.000059 0.000071 Ang= -0.01 deg. 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) = -798.431368627 A.U. after 11 cycles NFock= 11 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 -0.000187310 -0.000013114 0.000077595 2 6 0.000088668 -0.000032575 -0.000032569 3 8 0.000417565 -0.000226812 -0.000075033 4 8 0.000023813 0.000054829 -0.000118830 5 6 0.000022100 0.000044058 0.000239981 6 7 -0.000010629 0.000027015 -0.000031163 7 6 -0.000056838 0.000029743 -0.000430092 8 8 0.000013887 -0.000083610 0.000200794 9 7 0.000004368 0.000184474 0.000093596 10 6 -0.000039900 -0.000013630 0.000004401 11 6 0.000023499 0.000045556 0.000070028 12 1 0.000047914 -0.000041029 -0.000019177 13 1 0.000001291 0.000003619 -0.000005795 14 1 0.000017596 -0.000015005 0.000025473 15 1 -0.000011026 -0.000078581 0.000031222 16 1 -0.000003445 0.000055152 0.000000004 17 6 -0.000403235 -0.000118624 -0.000045897 18 1 -0.000001663 0.000012177 -0.000018772 19 1 -0.000216615 0.000138006 0.000020274 20 6 0.000099252 0.000000375 -0.000082912 21 6 0.000081375 0.000148737 -0.000079444 22 6 -0.000040903 0.000053533 0.000026820 23 6 0.000018124 0.000073706 0.000135546 24 6 0.000033603 -0.000279395 0.000094404 25 1 0.000074898 -0.000032869 -0.000013266 26 1 0.000023151 0.000023560 0.000035616 27 1 0.000002299 0.000018034 0.000004124 28 1 0.000025385 -0.000002914 -0.000025995 29 1 -0.000008142 -0.000009437 0.000002523 30 1 -0.000030746 -0.000008334 -0.000032287 31 1 -0.000026859 0.000006849 -0.000018906 32 1 -0.000010444 -0.000009963 0.000018250 33 1 -0.000056418 -0.000001751 -0.000009877 34 1 0.000078844 0.000011508 -0.000038181 35 1 0.000006542 0.000036713 -0.000002456 ------------------------------------------------------------------- Cartesian Forces: Max 0.000430092 RMS 0.000102775 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000256074 RMS 0.000055037 Search for a local minimum. Step number 22 out of a maximum of 210 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 18 19 20 21 22 DE= -4.38D-05 DEPred=-5.52D-05 R= 7.93D-01 TightC=F SS= 1.41D+00 RLast= 2.56D-01 DXNew= 2.5227D+00 7.6727D-01 Trust test= 7.93D-01 RLast= 2.56D-01 DXMaxT set to 1.50D+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 Eigenvalues --- 0.00124 0.00282 0.00442 0.00502 0.00511 Eigenvalues --- 0.00935 0.01448 0.01455 0.01533 0.01665 Eigenvalues --- 0.01889 0.01929 0.01944 0.02033 0.02287 Eigenvalues --- 0.02543 0.03581 0.03689 0.03952 0.04392 Eigenvalues --- 0.04503 0.04624 0.04736 0.04839 0.04972 Eigenvalues --- 0.05161 0.05254 0.05353 0.05423 0.05643 Eigenvalues --- 0.05732 0.06211 0.06448 0.06952 0.08002 Eigenvalues --- 0.08071 0.08185 0.08235 0.08383 0.08426 Eigenvalues --- 0.08984 0.09763 0.12050 0.12322 0.15528 Eigenvalues --- 0.15954 0.15994 0.16017 0.16088 0.16155 Eigenvalues --- 0.16303 0.18466 0.19237 0.19551 0.20778 Eigenvalues --- 0.21075 0.22561 0.23850 0.24954 0.24997 Eigenvalues --- 0.25098 0.25403 0.26640 0.27093 0.27987 Eigenvalues --- 0.28382 0.28948 0.29429 0.29952 0.30152 Eigenvalues --- 0.31702 0.34624 0.34722 0.34751 0.34792 Eigenvalues --- 0.34797 0.34807 0.34823 0.34829 0.34835 Eigenvalues --- 0.34843 0.34891 0.34898 0.34948 0.35033 Eigenvalues --- 0.35259 0.36098 0.37630 0.39486 0.41312 Eigenvalues --- 0.44006 0.45031 0.47758 0.49740 0.51942 Eigenvalues --- 0.56651 0.60564 0.87798 0.96582 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 19 18 17 16 15 14 13 RFO step: Lambda=-5.04339194D-06. DidBck=T Rises=F RFO-DIIS coefs: 0.78470 0.23707 -0.07481 0.08037 -0.17311 RFO-DIIS coefs: 0.17421 0.02023 -0.02180 -0.01916 -0.00770 Iteration 1 RMS(Cart)= 0.00255887 RMS(Int)= 0.00002131 Iteration 2 RMS(Cart)= 0.00000443 RMS(Int)= 0.00002107 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002107 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87472 0.00001 -0.00004 0.00006 0.00002 2.87474 R2 2.64166 0.00005 0.00003 -0.00002 0.00002 2.64167 R3 2.75992 0.00024 0.00048 -0.00011 0.00037 2.76029 R4 2.03627 0.00002 0.00004 0.00001 0.00005 2.03633 R5 2.04707 -0.00000 -0.00001 0.00001 0.00000 2.04707 R6 2.05298 0.00002 0.00005 -0.00001 0.00004 2.05302 R7 2.04973 -0.00001 -0.00000 -0.00001 -0.00001 2.04972 R8 1.79075 -0.00026 -0.00054 0.00008 -0.00046 1.79030 R9 2.26200 0.00001 0.00007 -0.00008 -0.00001 2.26199 R10 2.61736 -0.00001 0.00012 -0.00010 0.00003 2.61738 R11 2.77736 0.00008 0.00014 0.00002 0.00016 2.77752 R12 2.58383 0.00000 -0.00007 -0.00000 -0.00007 2.58376 R13 1.88658 -0.00008 -0.00009 -0.00006 -0.00016 1.88642 R14 2.26619 -0.00002 0.00001 -0.00002 -0.00001 2.26618 R15 2.58907 -0.00010 -0.00007 -0.00006 -0.00013 2.58894 R16 2.61575 0.00008 0.00004 0.00002 0.00006 2.61582 R17 2.51820 0.00008 0.00018 -0.00002 0.00016 2.51835 R18 2.01792 -0.00005 -0.00008 -0.00005 -0.00013 2.01778 R19 2.86579 0.00016 0.00063 0.00006 0.00069 2.86648 R20 2.91441 -0.00017 -0.00019 -0.00011 -0.00032 2.91409 R21 2.90669 -0.00013 -0.00042 -0.00005 -0.00047 2.90622 R22 2.04951 -0.00007 -0.00017 0.00000 -0.00017 2.04935 R23 2.92010 -0.00003 -0.00023 0.00002 -0.00024 2.91986 R24 2.05028 -0.00001 -0.00002 -0.00011 -0.00014 2.05015 R25 2.05306 0.00000 -0.00002 0.00005 0.00003 2.05309 R26 2.88817 0.00003 0.00005 0.00001 0.00004 2.88822 R27 2.05474 0.00003 -0.00001 0.00006 0.00005 2.05479 R28 2.05160 0.00001 0.00006 -0.00002 0.00004 2.05163 R29 2.91161 -0.00013 -0.00003 -0.00009 -0.00009 2.91152 R30 2.05187 0.00004 0.00005 0.00005 0.00010 2.05197 R31 2.05438 -0.00001 0.00001 -0.00003 -0.00002 2.05436 R32 2.91513 0.00003 -0.00022 0.00010 -0.00008 2.91505 R33 2.05304 -0.00001 -0.00002 0.00003 0.00001 2.05305 R34 2.05145 0.00002 0.00009 -0.00004 0.00005 2.05149 R35 2.05621 0.00005 0.00005 0.00004 0.00009 2.05630 R36 2.04689 0.00004 0.00019 -0.00008 0.00011 2.04700 A1 1.95212 -0.00007 -0.00020 0.00017 -0.00003 1.95210 A2 1.94955 0.00001 0.00024 0.00007 0.00031 1.94987 A3 1.92394 -0.00001 -0.00044 0.00001 -0.00043 1.92351 A4 1.85059 0.00016 0.00094 -0.00015 0.00079 1.85138 A5 1.93368 -0.00005 -0.00049 -0.00010 -0.00059 1.93310 A6 1.85031 -0.00002 -0.00001 -0.00001 -0.00003 1.85028 A7 1.92332 -0.00001 -0.00014 0.00008 -0.00007 1.92326 A8 1.92426 0.00005 0.00022 -0.00004 0.00018 1.92444 A9 1.93209 -0.00003 -0.00011 -0.00001 -0.00012 1.93197 A10 1.88597 -0.00001 0.00000 -0.00001 -0.00001 1.88596 A11 1.90595 0.00001 0.00003 -0.00003 0.00001 1.90595 A12 1.89132 -0.00000 0.00001 0.00000 0.00001 1.89133 A13 1.90996 0.00005 0.00020 -0.00011 0.00009 1.91005 A14 2.09314 -0.00005 -0.00012 -0.00009 -0.00020 2.09295 A15 2.18951 0.00008 0.00023 0.00006 0.00029 2.18981 A16 2.00051 -0.00004 -0.00011 0.00003 -0.00009 2.00042 A17 2.23609 0.00005 0.00026 -0.00003 0.00021 2.23629 A18 2.03258 -0.00003 -0.00012 -0.00002 -0.00017 2.03241 A19 2.01431 -0.00002 -0.00004 0.00001 -0.00005 2.01426 A20 2.13286 0.00006 0.00021 -0.00001 0.00020 2.13306 A21 1.99358 0.00004 -0.00001 0.00001 0.00000 1.99358 A22 2.15673 -0.00010 -0.00022 0.00000 -0.00022 2.15651 A23 2.05842 -0.00009 -0.00022 -0.00002 -0.00024 2.05818 A24 2.10289 0.00015 0.00039 -0.00001 0.00038 2.10327 A25 2.12078 -0.00006 -0.00017 0.00000 -0.00017 2.12061 A26 2.17049 0.00005 0.00031 -0.00002 0.00028 2.17077 A27 1.97606 -0.00002 -0.00018 -0.00008 -0.00026 1.97580 A28 2.13648 -0.00003 -0.00012 0.00010 -0.00002 2.13646 A29 2.04451 -0.00005 -0.00020 -0.00001 -0.00023 2.04428 A30 2.03578 0.00016 0.00054 -0.00013 0.00041 2.03619 A31 2.20268 -0.00011 -0.00035 0.00014 -0.00021 2.20247 A32 2.00093 -0.00006 -0.00033 0.00016 -0.00015 2.00078 A33 1.95735 0.00002 -0.00009 0.00005 -0.00005 1.95730 A34 1.83726 -0.00000 0.00039 -0.00066 -0.00028 1.83698 A35 1.91633 -0.00000 -0.00000 0.00002 -0.00001 1.91632 A36 1.88083 0.00004 0.00000 0.00019 0.00019 1.88102 A37 1.86270 0.00002 0.00009 0.00023 0.00034 1.86304 A38 1.95863 -0.00008 -0.00027 -0.00021 -0.00058 1.95804 A39 1.93760 -0.00000 -0.00014 0.00049 0.00039 1.93799 A40 1.89955 0.00003 0.00009 -0.00018 -0.00007 1.89948 A41 1.88291 0.00005 0.00068 -0.00054 0.00018 1.88309 A42 1.92491 0.00002 -0.00027 0.00042 0.00016 1.92507 A43 1.85768 -0.00002 -0.00006 0.00003 -0.00004 1.85764 A44 1.95344 0.00009 0.00002 0.00031 0.00020 1.95364 A45 1.91193 -0.00004 -0.00025 0.00015 -0.00005 1.91187 A46 1.91509 -0.00003 0.00012 -0.00015 -0.00001 1.91508 A47 1.89520 0.00000 0.00007 -0.00017 -0.00008 1.89512 A48 1.93156 -0.00005 0.00008 -0.00012 0.00002 1.93158 A49 1.85378 0.00002 -0.00004 -0.00004 -0.00009 1.85369 A50 1.93530 -0.00010 -0.00039 -0.00035 -0.00073 1.93457 A51 1.92559 0.00005 0.00009 -0.00012 -0.00002 1.92557 A52 1.90602 0.00003 0.00020 0.00023 0.00041 1.90642 A53 1.92143 -0.00000 -0.00019 0.00014 -0.00007 1.92136 A54 1.92042 0.00003 0.00023 0.00011 0.00035 1.92077 A55 1.85335 -0.00002 0.00010 0.00001 0.00010 1.85345 A56 1.96192 -0.00001 -0.00034 0.00013 -0.00011 1.96180 A57 1.91500 -0.00001 -0.00004 -0.00026 -0.00033 1.91468 A58 1.90836 -0.00001 0.00032 -0.00001 0.00028 1.90864 A59 1.90519 -0.00001 -0.00015 0.00021 0.00001 1.90520 A60 1.91217 0.00006 0.00039 -0.00008 0.00030 1.91247 A61 1.85832 -0.00001 -0.00017 0.00001 -0.00014 1.85817 A62 1.93542 0.00002 -0.00041 0.00003 -0.00029 1.93512 A63 1.89443 -0.00003 0.00026 0.00011 0.00034 1.89477 A64 1.92582 -0.00001 0.00004 -0.00033 -0.00032 1.92550 A65 1.92732 0.00006 0.00072 0.00018 0.00086 1.92819 A66 1.91639 -0.00003 -0.00033 0.00000 -0.00036 1.91603 A67 1.86304 -0.00001 -0.00025 0.00001 -0.00022 1.86282 D1 -3.12696 -0.00009 -0.00080 -0.00002 -0.00083 -3.12778 D2 1.07587 -0.00009 -0.00085 -0.00003 -0.00089 1.07498 D3 -1.01670 -0.00010 -0.00093 -0.00001 -0.00094 -1.01764 D4 -1.05574 0.00007 0.00042 -0.00005 0.00037 -1.05537 D5 -3.13610 0.00006 0.00037 -0.00006 0.00031 -3.13579 D6 1.05451 0.00005 0.00030 -0.00004 0.00026 1.05477 D7 0.99660 0.00004 0.00027 -0.00001 0.00026 0.99687 D8 -1.08376 0.00003 0.00022 -0.00002 0.00020 -1.08356 D9 3.10686 0.00002 0.00015 0.00000 0.00015 3.10701 D10 -1.06527 0.00006 0.00079 0.00046 0.00124 -1.06403 D11 3.08887 -0.00000 -0.00001 0.00037 0.00036 3.08923 D12 1.08887 -0.00004 -0.00027 0.00051 0.00024 1.08911 D13 1.64369 -0.00001 -0.00019 0.00035 0.00016 1.64385 D14 -1.44835 0.00000 -0.00012 0.00098 0.00086 -1.44749 D15 -2.50880 0.00001 0.00033 0.00050 0.00083 -2.50797 D16 0.68234 0.00002 0.00040 0.00113 0.00153 0.68387 D17 -0.45243 0.00001 0.00022 0.00031 0.00052 -0.45190 D18 2.73872 0.00002 0.00029 0.00093 0.00122 2.73994 D19 3.12690 0.00006 0.00223 -0.00076 0.00147 3.12837 D20 0.00873 0.00009 0.00132 0.00089 0.00222 0.01095 D21 -0.00945 -0.00001 0.00115 -0.00100 0.00016 -0.00929 D22 -3.12761 0.00001 0.00025 0.00065 0.00091 -3.12671 D23 -3.14054 -0.00005 -0.00211 0.00011 -0.00199 3.14065 D24 0.02183 -0.00003 -0.00062 0.00005 -0.00057 0.02126 D25 -0.00453 0.00003 -0.00097 0.00036 -0.00060 -0.00513 D26 -3.12534 0.00004 0.00052 0.00031 0.00083 -3.12452 D27 -3.10751 0.00011 0.00145 0.00091 0.00236 -3.10515 D28 0.02726 -0.00002 -0.00108 0.00123 0.00016 0.02742 D29 0.01087 0.00009 0.00234 -0.00073 0.00161 0.01248 D30 -3.13755 -0.00005 -0.00019 -0.00040 -0.00059 -3.13814 D31 -3.12317 0.00005 0.00088 -0.00022 0.00067 -3.12251 D32 -0.03167 0.00004 0.00083 -0.00085 -0.00002 -0.03169 D33 0.01149 -0.00009 -0.00168 0.00011 -0.00157 0.00992 D34 3.10299 -0.00009 -0.00173 -0.00052 -0.00225 3.10074 D35 3.11132 -0.00004 -0.00092 -0.00027 -0.00119 3.11013 D36 -0.04854 -0.00003 -0.00034 -0.00077 -0.00111 -0.04965 D37 0.02108 -0.00003 -0.00084 0.00038 -0.00047 0.02061 D38 -3.13878 -0.00002 -0.00026 -0.00013 -0.00039 -3.13916 D39 -0.00136 -0.00001 0.00089 -0.00011 0.00078 -0.00058 D40 3.11722 -0.00002 -0.00074 -0.00005 -0.00079 3.11642 D41 -3.12307 -0.00002 0.00025 0.00044 0.00069 -3.12238 D42 -0.00449 -0.00003 -0.00137 0.00049 -0.00088 -0.00537 D43 -2.72086 -0.00003 -0.00193 -0.00012 -0.00206 -2.72292 D44 1.36163 0.00000 -0.00157 -0.00033 -0.00188 1.35975 D45 -0.65717 -0.00003 -0.00185 -0.00024 -0.00210 -0.65927 D46 0.44364 -0.00002 -0.00030 -0.00018 -0.00049 0.44316 D47 -1.75705 0.00002 0.00006 -0.00038 -0.00031 -1.75736 D48 2.50733 -0.00001 -0.00023 -0.00030 -0.00053 2.50681 D49 -2.84418 -0.00000 0.00325 -0.00011 0.00312 -2.84105 D50 -0.73552 0.00001 0.00383 -0.00060 0.00322 -0.73230 D51 1.30355 0.00000 0.00373 -0.00038 0.00336 1.30690 D52 -0.62238 -0.00002 0.00285 0.00010 0.00293 -0.61945 D53 1.48627 -0.00001 0.00342 -0.00038 0.00303 1.48930 D54 -2.75784 -0.00002 0.00333 -0.00017 0.00317 -2.75468 D55 1.40011 0.00002 0.00297 0.00049 0.00344 1.40355 D56 -2.77442 0.00003 0.00355 0.00000 0.00354 -2.77088 D57 -0.73535 0.00002 0.00345 0.00022 0.00367 -0.73168 D58 -2.89581 0.00001 0.00065 0.00026 0.00090 -2.89491 D59 1.26730 -0.00006 -0.00015 -0.00005 -0.00021 1.26709 D60 -0.76852 -0.00002 -0.00004 0.00006 0.00004 -0.76849 D61 1.14143 0.00008 0.00119 -0.00001 0.00115 1.14258 D62 -0.97864 0.00002 0.00038 -0.00032 0.00004 -0.97860 D63 -3.01446 0.00005 0.00049 -0.00021 0.00028 -3.01418 D64 -0.89249 0.00003 0.00112 -0.00037 0.00074 -0.89176 D65 -3.01256 -0.00004 0.00032 -0.00068 -0.00037 -3.01294 D66 1.23480 -0.00000 0.00043 -0.00057 -0.00013 1.23467 D67 -0.45068 -0.00004 -0.00388 -0.00028 -0.00414 -0.45482 D68 1.65237 -0.00000 -0.00397 -0.00018 -0.00414 1.64823 D69 -2.60211 -0.00002 -0.00409 -0.00023 -0.00429 -2.60640 D70 -2.59060 -0.00002 -0.00399 -0.00039 -0.00437 -2.59497 D71 -0.48754 0.00001 -0.00408 -0.00030 -0.00437 -0.49191 D72 1.54116 -0.00000 -0.00420 -0.00035 -0.00452 1.53663 D73 1.67032 -0.00004 -0.00416 -0.00035 -0.00451 1.66581 D74 -2.50981 -0.00001 -0.00425 -0.00025 -0.00452 -2.51432 D75 -0.48111 -0.00002 -0.00437 -0.00030 -0.00466 -0.48577 D76 1.08769 0.00002 0.00107 0.00013 0.00123 1.08892 D77 -3.06207 -0.00001 0.00062 -0.00001 0.00064 -3.06143 D78 -1.03131 0.00002 0.00089 0.00007 0.00099 -1.03033 D79 -1.02508 0.00001 0.00135 -0.00015 0.00122 -1.02386 D80 1.10835 -0.00002 0.00090 -0.00029 0.00063 1.10898 D81 3.13910 0.00001 0.00117 -0.00021 0.00098 3.14008 D82 -3.05340 0.00002 0.00129 0.00007 0.00137 -3.05203 D83 -0.91997 -0.00001 0.00085 -0.00007 0.00077 -0.91919 D84 1.11078 0.00002 0.00112 0.00001 0.00113 1.11191 D85 -0.56722 0.00005 0.00288 0.00010 0.00302 -0.56420 D86 1.55623 0.00001 0.00242 0.00027 0.00272 1.55895 D87 -2.69489 -0.00001 0.00238 0.00012 0.00252 -2.69236 D88 -2.70308 0.00005 0.00317 0.00039 0.00359 -2.69949 D89 -0.57962 0.00001 0.00272 0.00056 0.00329 -0.57633 D90 1.45245 -0.00001 0.00268 0.00042 0.00309 1.45553 D91 1.54329 0.00005 0.00304 0.00023 0.00329 1.54658 D92 -2.61644 0.00001 0.00258 0.00040 0.00299 -2.61345 D93 -0.58437 -0.00001 0.00254 0.00025 0.00279 -0.58158 D94 -0.50713 -0.00003 -0.00370 0.00003 -0.00367 -0.51080 D95 1.59350 -0.00001 -0.00316 0.00030 -0.00286 1.59064 D96 -2.63993 -0.00000 -0.00323 0.00042 -0.00283 -2.64276 D97 -2.63617 0.00000 -0.00331 0.00012 -0.00318 -2.63935 D98 -0.53553 0.00002 -0.00277 0.00039 -0.00238 -0.53791 D99 1.51422 0.00003 -0.00284 0.00051 -0.00234 1.51188 D100 1.61837 -0.00001 -0.00324 0.00004 -0.00318 1.61518 D101 -2.56418 0.00001 -0.00270 0.00031 -0.00238 -2.56656 D102 -0.51443 0.00001 -0.00277 0.00043 -0.00235 -0.51678 Item Value Threshold Converged? Maximum Force 0.000256 0.000450 YES RMS Force 0.000055 0.000300 YES Maximum Displacement 0.011778 0.001800 NO RMS Displacement 0.002559 0.001200 NO Predicted change in Energy=-2.338846D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.844082 -4.965946 1.584070 2 6 0 7.233268 -5.452902 2.971732 3 8 0 6.483791 -6.023407 0.743756 4 8 0 2.586858 -1.584966 1.858307 5 6 0 3.472279 -2.387604 1.790542 6 7 0 4.789446 -1.961285 1.749158 7 6 0 5.922200 -2.724404 1.686382 8 8 0 7.019719 -2.241157 1.691987 9 7 0 5.688860 -4.073163 1.628789 10 6 0 4.404501 -4.587537 1.672807 11 6 0 3.299461 -3.846639 1.749781 12 1 0 7.647119 -4.391579 1.152321 13 1 0 7.493599 -4.612419 3.603609 14 1 0 8.096900 -6.109267 2.911648 15 1 0 4.939026 -0.975095 1.788652 16 1 0 4.376265 -5.653674 1.621051 17 6 0 1.873702 -4.364071 1.769557 18 1 0 6.417152 -6.002832 3.427831 19 1 0 7.219858 -6.611375 0.643584 20 6 0 1.719771 -5.804118 2.299221 21 6 0 0.359884 -6.426438 1.910856 22 6 0 -0.713394 -5.360935 1.690136 23 6 0 -0.332883 -4.433724 0.519974 24 6 0 1.192303 -4.238457 0.396580 25 1 0 1.340084 -3.704179 2.444733 26 1 0 2.503249 -6.447193 1.912434 27 1 0 1.835178 -5.794674 3.379480 28 1 0 0.471288 -7.001080 0.994502 29 1 0 0.048154 -7.131904 2.674950 30 1 0 -1.674764 -5.827959 1.498465 31 1 0 -0.834533 -4.780592 2.601375 32 1 0 -0.716513 -4.842255 -0.410752 33 1 0 -0.813382 -3.469515 0.653976 34 1 0 1.618754 -4.984202 -0.271302 35 1 0 1.403718 -3.270452 -0.041195 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521249 0.000000 3 O 1.397913 2.418899 0.000000 4 O 5.443362 6.147339 6.010663 0.000000 5 C 4.249651 4.993626 4.835704 1.196992 0.000000 6 N 3.643730 4.433773 4.514695 2.237169 1.385060 7 C 2.425870 3.288728 3.476687 3.528793 2.475156 8 O 2.732576 3.463908 3.935960 4.484251 3.551830 9 N 1.460684 2.468273 2.284437 3.983242 2.789356 10 C 2.470349 3.230787 2.692268 3.514779 2.392197 11 C 3.720840 4.421322 3.986272 2.373762 1.469800 12 H 1.077577 2.146611 2.045267 5.829385 4.674669 13 H 2.150672 1.083261 3.345050 6.023924 4.940448 14 H 2.153880 1.086409 2.703563 7.206899 6.041091 15 H 4.426961 5.168558 5.381781 2.430943 2.036304 16 H 2.562119 3.166562 2.312577 4.451141 3.393100 17 C 5.010123 5.599619 5.005855 2.870522 2.542107 18 H 2.157975 1.084664 2.684982 6.054098 4.941950 19 H 1.932138 2.600483 0.947384 6.942984 5.761953 20 C 5.241425 5.565454 5.016318 4.329837 3.873319 21 C 6.654672 7.022581 6.247143 5.329356 5.100358 22 C 7.568534 8.049868 7.289305 5.017757 5.135234 23 C 7.274915 8.018509 7.003157 4.293186 4.503355 24 C 5.820822 6.678289 5.595214 3.335033 3.250704 25 H 5.711986 6.169715 5.893205 2.527728 2.589901 26 H 4.598341 4.948111 4.170146 4.863248 4.175421 27 H 5.385109 5.424246 5.348735 4.538792 4.100359 28 H 6.715792 7.213229 6.096631 5.878443 5.560916 29 H 7.215680 7.384646 6.809971 6.154710 5.917363 30 H 8.562776 9.036826 8.195719 6.024442 6.197854 31 H 7.747929 8.104233 7.652007 4.740264 4.993243 32 H 7.820308 8.661011 7.387313 5.164380 5.330758 33 H 7.857553 8.605487 7.731699 4.069837 4.563902 34 H 5.544979 6.500748 5.077290 4.126411 3.798562 35 H 5.925686 6.915524 5.831128 2.801570 2.900625 6 7 8 9 10 6 N 0.000000 7 C 1.367268 0.000000 8 O 2.248492 1.199212 0.000000 9 N 2.298578 1.370006 2.265265 0.000000 10 C 2.655411 2.403093 3.513578 1.384231 0.000000 11 C 2.403044 2.853453 4.052313 2.403161 1.332655 12 H 3.798530 2.457650 2.304167 2.040389 3.289966 13 H 4.216626 3.116032 3.082490 2.729064 3.642957 14 H 5.431058 4.205698 4.196447 3.404424 4.181411 15 H 0.998251 2.009271 2.437528 3.191525 3.653611 16 H 3.717642 3.312824 4.317193 2.054502 1.067766 17 C 3.778275 4.368725 5.567250 3.828822 2.542487 18 H 4.669205 3.745092 4.186460 2.736893 3.022240 19 H 5.362139 4.228462 4.498668 3.123636 3.616830 20 C 4.949024 5.246009 6.415051 4.381706 3.013343 21 C 6.291642 6.685417 7.868792 5.832277 4.449399 22 C 6.468566 7.140197 8.338708 6.530771 5.176031 23 C 5.819116 6.588501 7.761555 6.133585 4.878062 24 C 4.467037 5.131069 6.294924 4.665264 3.474022 25 H 3.926780 4.746666 5.913148 4.440019 3.281287 26 H 5.037532 5.059593 6.175584 3.983038 2.670300 27 H 5.106909 5.384875 6.508040 4.569396 3.312300 28 H 6.679486 6.962837 8.125596 6.016484 4.664275 29 H 7.076175 7.409976 8.572535 6.501378 5.143526 30 H 7.536580 8.208607 9.407266 7.570948 6.206973 31 H 6.348537 7.121697 8.304517 6.633328 5.324189 32 H 6.578814 7.277072 8.428317 6.766095 5.534518 33 H 5.904733 6.854861 7.996488 6.602561 5.432707 34 H 4.824269 5.240120 6.367828 4.583242 3.420130 35 H 4.047523 4.868200 5.966812 4.668580 3.698272 11 12 13 14 15 11 C 0.000000 12 H 4.422222 0.000000 13 H 4.649074 2.465999 0.000000 14 H 5.429995 2.499598 1.755944 0.000000 15 H 3.306880 4.405797 4.801046 6.131315 0.000000 16 H 2.107476 3.537099 3.838296 3.964382 4.715283 17 C 1.516876 5.806382 5.916812 6.563404 4.569653 18 H 4.145482 3.047442 1.767169 1.760491 5.490893 19 H 4.923104 2.317080 3.582249 2.483028 6.187167 20 C 2.574689 6.200330 6.038101 6.413732 5.826126 21 C 3.914386 7.603935 7.552878 7.807919 7.120437 22 C 4.289481 8.433686 8.460283 8.925994 7.155078 23 C 3.879563 8.005127 8.413950 8.921255 6.431538 24 C 2.534716 6.500710 7.080339 7.582806 5.159973 25 H 2.083845 6.474684 6.327214 7.187282 4.564069 26 H 2.724571 5.591307 5.579432 5.692236 5.991009 27 H 2.931703 6.380248 5.784953 6.287050 5.949197 28 H 4.303429 7.637208 7.862951 7.913327 7.543464 29 H 4.713799 8.220222 7.914851 8.116904 7.912803 30 H 5.360196 9.438247 9.485149 9.877330 8.208332 31 H 4.322891 8.613333 8.389907 9.035051 6.962494 32 H 4.667676 8.520367 9.141874 9.503679 7.195653 33 H 4.272995 8.525176 8.888898 9.563394 6.371799 34 H 2.864193 6.222466 7.047479 7.305020 5.598263 35 H 2.670848 6.454569 7.223027 7.847092 4.595150 16 17 18 19 20 16 H 0.000000 17 C 2.819211 0.000000 18 H 2.748014 5.106697 0.000000 19 H 3.155733 5.907586 2.960860 0.000000 20 C 2.745817 1.542068 4.835146 5.800324 0.000000 21 C 4.100302 2.562220 6.258686 6.978498 1.545122 22 C 5.098539 2.773646 7.367245 8.099096 2.547094 23 C 4.987657 2.536794 7.515364 7.861383 3.042546 24 C 3.693207 1.537903 6.292896 6.482528 2.519833 25 H 3.700997 1.084467 5.659232 6.802034 2.138944 26 H 2.054937 2.180858 4.220488 4.887058 1.084891 27 H 3.093393 2.154057 4.586954 6.094826 1.086447 28 H 4.178148 3.085659 6.501607 6.768915 2.166500 29 H 4.693444 3.437043 6.511971 7.471997 2.167601 30 H 6.054780 3.848126 8.320585 8.969887 3.487785 31 H 5.373614 2.863556 7.400259 8.488695 2.768280 32 H 5.542835 3.419301 8.183571 8.199232 3.768901 33 H 5.712988 3.043875 8.148165 8.625795 3.817600 34 H 3.410727 2.148177 6.143762 5.903988 2.700010 35 H 4.156783 2.166958 6.680911 6.742268 3.463654 21 22 23 24 25 21 C 0.000000 22 C 1.528378 0.000000 23 C 2.526932 1.540710 0.000000 24 C 2.788048 2.562211 1.542579 0.000000 25 H 2.942195 2.744272 2.652500 2.121844 0.000000 26 H 2.143467 3.402377 3.746552 2.982433 3.026619 27 H 2.175425 3.088241 3.837896 3.425316 2.342870 28 H 1.087350 2.139498 2.731883 2.917098 3.705069 29 H 1.085678 2.164750 3.474088 3.856434 3.670338 30 H 2.160563 1.085856 2.168405 3.458431 3.807253 31 H 2.147616 1.087120 2.168917 3.043534 2.431494 32 H 3.009673 2.163970 1.086425 2.158689 3.698460 33 H 3.420482 2.158957 1.085604 2.163400 2.810569 34 H 2.902863 3.070518 2.176702 1.088146 3.015454 35 H 3.854911 3.442352 2.164231 1.083225 2.524284 26 27 28 29 30 26 H 0.000000 27 H 1.739059 0.000000 28 H 2.297446 3.000622 0.000000 29 H 2.660405 2.340513 1.737833 0.000000 30 H 4.243892 3.982338 2.497144 2.460251 0.000000 31 H 3.793810 2.959927 3.036079 2.512611 1.737635 32 H 4.282510 4.667343 2.836571 3.917750 2.352650 33 H 4.631450 4.455290 3.773365 4.270793 2.649037 34 H 2.773333 3.745919 2.643243 3.969863 3.832918 35 H 3.888100 4.273040 3.982421 4.911803 4.288175 31 32 33 34 35 31 H 0.000000 32 H 3.015068 0.000000 33 H 2.347708 1.739955 0.000000 34 H 3.783167 2.343730 3.010931 0.000000 35 H 3.778025 2.665055 2.332042 1.742449 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.055357 -1.195508 -0.318273 2 6 0 3.460831 -1.807721 1.014012 3 8 0 2.487816 -2.143176 -1.175002 4 8 0 -0.629835 2.742249 0.419032 5 6 0 0.121256 1.825572 0.250644 6 7 0 1.481049 2.059814 0.130281 7 6 0 2.482367 1.146379 -0.049770 8 8 0 3.636934 1.465892 -0.104518 9 7 0 2.049737 -0.149740 -0.148867 10 6 0 0.709539 -0.475850 -0.032171 11 6 0 -0.266750 0.410877 0.158995 12 1 0 3.903392 -0.719970 -0.782895 13 1 0 3.883814 -1.048812 1.661002 14 1 0 4.212463 -2.577144 0.861297 15 1 0 1.776448 3.010679 0.201694 16 1 0 0.521298 -1.522486 -0.128310 17 6 0 -1.748562 0.103375 0.261903 18 1 0 2.605119 -2.258550 1.504933 19 1 0 3.120940 -2.824514 -1.355190 20 6 0 -2.076873 -1.326146 0.737986 21 6 0 -3.536494 -1.724665 0.424791 22 6 0 -4.453633 -0.505633 0.331222 23 6 0 -4.020163 0.419244 -0.822247 24 6 0 -2.494596 0.399723 -1.049873 25 1 0 -2.132748 0.795572 1.003074 26 1 0 -1.424297 -2.053237 0.266316 27 1 0 -1.889137 -1.391867 1.806070 28 1 0 -3.572594 -2.258902 -0.521581 29 1 0 -3.896693 -2.418332 1.178303 30 1 0 -5.483936 -0.818607 0.191198 31 1 0 -4.426646 0.035911 1.273470 32 1 0 -4.521296 0.121058 -1.738910 33 1 0 -4.343443 1.433809 -0.610859 34 1 0 -2.228312 -0.362304 -1.779578 35 1 0 -2.172866 1.349567 -1.459341 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8142311 0.2821971 0.2279044 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.0460921878 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.34D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000127 0.000012 -0.000054 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) = -798.431371067 A.U. after 9 cycles NFock= 9 Conv=0.63D-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 0.000001321 0.000015079 0.000005442 2 6 -0.000005616 -0.000004969 -0.000004469 3 8 -0.000017616 0.000004994 -0.000006635 4 8 -0.000010283 -0.000004103 0.000005766 5 6 0.000008861 0.000007616 0.000012187 6 7 0.000000819 0.000001015 -0.000059697 7 6 0.000009481 -0.000009660 0.000016532 8 8 -0.000003916 0.000012320 0.000011636 9 7 0.000027240 -0.000001134 -0.000018094 10 6 -0.000012484 0.000004293 0.000009108 11 6 0.000008718 -0.000010034 0.000000009 12 1 -0.000009020 0.000004655 0.000007197 13 1 -0.000001027 -0.000000217 -0.000001871 14 1 -0.000001978 0.000001652 -0.000001303 15 1 0.000000823 0.000007032 0.000015206 16 1 -0.000005906 -0.000016388 -0.000011170 17 6 0.000004633 -0.000014868 -0.000007644 18 1 0.000002052 -0.000001611 0.000005225 19 1 0.000000821 -0.000013844 0.000006122 20 6 -0.000015336 0.000003498 -0.000015299 21 6 0.000025096 0.000012771 0.000034092 22 6 -0.000013771 -0.000008823 -0.000014900 23 6 -0.000011645 0.000019514 0.000016750 24 6 0.000000171 0.000001146 -0.000003324 25 1 -0.000018843 0.000004627 0.000005934 26 1 0.000014242 -0.000010381 0.000004176 27 1 -0.000017047 -0.000014828 0.000000487 28 1 0.000020444 0.000006590 -0.000006323 29 1 0.000007619 -0.000009707 0.000008519 30 1 0.000004855 0.000007699 0.000002727 31 1 0.000004092 0.000000756 -0.000002054 32 1 0.000010186 0.000007214 -0.000003172 33 1 0.000005415 0.000004203 -0.000006657 34 1 -0.000006063 -0.000003227 0.000004765 35 1 -0.000006338 -0.000002879 -0.000009268 ------------------------------------------------------------------- Cartesian Forces: Max 0.000059697 RMS 0.000011837 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000047240 RMS 0.000008978 Search for a local minimum. Step number 23 out of a maximum of 210 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 18 19 20 21 22 23 DE= -2.44D-06 DEPred=-2.34D-06 R= 1.04D+00 TightC=F SS= 1.41D+00 RLast= 2.25D-02 DXNew= 2.5227D+00 6.7381D-02 Trust test= 1.04D+00 RLast= 2.25D-02 DXMaxT set to 1.50D+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 Eigenvalues --- 0.00116 0.00283 0.00441 0.00500 0.00512 Eigenvalues --- 0.00961 0.01378 0.01448 0.01480 0.01649 Eigenvalues --- 0.01886 0.01891 0.01941 0.01992 0.02257 Eigenvalues --- 0.02546 0.03554 0.03647 0.03974 0.04428 Eigenvalues --- 0.04557 0.04737 0.04825 0.04932 0.05148 Eigenvalues --- 0.05238 0.05350 0.05407 0.05534 0.05643 Eigenvalues --- 0.05731 0.06180 0.06558 0.06980 0.08001 Eigenvalues --- 0.08083 0.08203 0.08231 0.08384 0.08537 Eigenvalues --- 0.08955 0.09754 0.12039 0.12333 0.15531 Eigenvalues --- 0.15951 0.15994 0.16032 0.16088 0.16147 Eigenvalues --- 0.16306 0.18498 0.19151 0.19439 0.20688 Eigenvalues --- 0.21135 0.22578 0.23837 0.24806 0.24979 Eigenvalues --- 0.25085 0.25287 0.26641 0.27087 0.28040 Eigenvalues --- 0.28469 0.28998 0.29381 0.29955 0.30168 Eigenvalues --- 0.31698 0.34618 0.34726 0.34758 0.34792 Eigenvalues --- 0.34796 0.34806 0.34814 0.34824 0.34836 Eigenvalues --- 0.34841 0.34907 0.34915 0.34952 0.35018 Eigenvalues --- 0.35183 0.36100 0.37801 0.39576 0.41156 Eigenvalues --- 0.43827 0.45116 0.47681 0.49714 0.51815 Eigenvalues --- 0.56662 0.60409 0.87711 0.96595 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 19 18 17 16 15 14 RFO step: Lambda=-3.48055485D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.10393 -0.03736 0.00421 -0.06910 0.00560 RFO-DIIS coefs: -0.01103 0.00737 0.00282 -0.00880 0.00235 Iteration 1 RMS(Cart)= 0.00136090 RMS(Int)= 0.00000890 Iteration 2 RMS(Cart)= 0.00000152 RMS(Int)= 0.00000882 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000882 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87474 -0.00000 -0.00001 0.00000 -0.00001 2.87474 R2 2.64167 0.00001 0.00001 0.00002 0.00003 2.64170 R3 2.76029 -0.00003 0.00005 -0.00009 -0.00004 2.76025 R4 2.03633 -0.00001 0.00002 -0.00003 -0.00001 2.03631 R5 2.04707 -0.00000 -0.00000 -0.00001 -0.00001 2.04706 R6 2.05302 -0.00000 0.00001 -0.00001 -0.00000 2.05301 R7 2.04972 0.00000 0.00000 0.00000 0.00000 2.04972 R8 1.79030 0.00001 -0.00005 0.00005 0.00001 1.79030 R9 2.26199 0.00001 0.00001 -0.00001 0.00001 2.26199 R10 2.61738 0.00001 -0.00001 0.00002 0.00001 2.61739 R11 2.77752 0.00000 0.00002 -0.00000 0.00002 2.77754 R12 2.58376 0.00001 0.00001 0.00002 0.00002 2.58379 R13 1.88642 0.00001 0.00000 0.00002 0.00002 1.88644 R14 2.26618 0.00000 0.00001 -0.00000 0.00000 2.26619 R15 2.58894 0.00001 -0.00002 0.00003 0.00001 2.58894 R16 2.61582 0.00000 0.00002 -0.00001 0.00002 2.61583 R17 2.51835 -0.00002 -0.00000 -0.00004 -0.00004 2.51831 R18 2.01778 0.00002 0.00001 0.00003 0.00004 2.01782 R19 2.86648 -0.00001 0.00005 -0.00007 -0.00002 2.86646 R20 2.91409 -0.00000 0.00010 0.00002 0.00011 2.91420 R21 2.90622 -0.00000 0.00001 -0.00002 -0.00001 2.90621 R22 2.04935 0.00002 -0.00005 0.00009 0.00003 2.04938 R23 2.91986 -0.00005 -0.00011 -0.00019 -0.00031 2.91954 R24 2.05015 0.00001 -0.00003 0.00005 0.00002 2.05017 R25 2.05309 -0.00000 0.00000 -0.00001 -0.00001 2.05308 R26 2.88822 0.00002 -0.00003 0.00012 0.00009 2.88831 R27 2.05479 0.00000 -0.00000 0.00001 0.00001 2.05481 R28 2.05163 0.00001 0.00002 0.00002 0.00004 2.05167 R29 2.91152 0.00001 0.00015 0.00000 0.00015 2.91167 R30 2.05197 -0.00001 0.00001 -0.00003 -0.00002 2.05194 R31 2.05436 -0.00000 -0.00000 0.00001 0.00000 2.05436 R32 2.91505 -0.00002 -0.00020 -0.00002 -0.00022 2.91484 R33 2.05305 -0.00000 -0.00000 -0.00001 -0.00002 2.05303 R34 2.05149 0.00000 0.00002 -0.00001 0.00001 2.05150 R35 2.05630 -0.00000 0.00002 -0.00003 -0.00000 2.05630 R36 2.04700 -0.00000 0.00004 -0.00001 0.00003 2.04703 A1 1.95210 -0.00000 -0.00002 -0.00003 -0.00005 1.95205 A2 1.94987 0.00001 0.00001 -0.00000 0.00001 1.94987 A3 1.92351 -0.00000 -0.00004 0.00004 -0.00000 1.92351 A4 1.85138 -0.00001 0.00010 -0.00016 -0.00006 1.85133 A5 1.93310 0.00001 -0.00004 0.00012 0.00008 1.93318 A6 1.85028 -0.00000 -0.00001 0.00003 0.00002 1.85030 A7 1.92326 -0.00000 -0.00002 -0.00002 -0.00003 1.92322 A8 1.92444 -0.00000 0.00002 -0.00002 -0.00000 1.92443 A9 1.93197 0.00001 -0.00002 0.00007 0.00004 1.93202 A10 1.88596 0.00000 0.00000 -0.00001 -0.00000 1.88596 A11 1.90595 -0.00000 0.00001 -0.00001 -0.00000 1.90595 A12 1.89133 -0.00000 0.00001 -0.00001 -0.00000 1.89133 A13 1.91005 0.00001 0.00002 0.00004 0.00005 1.91011 A14 2.09295 0.00001 0.00004 0.00002 0.00006 2.09301 A15 2.18981 -0.00001 -0.00003 -0.00003 -0.00005 2.18975 A16 2.00042 -0.00000 -0.00001 0.00000 -0.00001 2.00041 A17 2.23629 -0.00000 -0.00001 -0.00001 -0.00002 2.23628 A18 2.03241 0.00000 0.00002 -0.00002 -0.00000 2.03241 A19 2.01426 0.00000 -0.00001 0.00001 -0.00000 2.01425 A20 2.13306 -0.00001 0.00002 -0.00005 -0.00004 2.13302 A21 1.99358 -0.00001 0.00002 -0.00002 -0.00000 1.99358 A22 2.15651 0.00002 -0.00003 0.00007 0.00004 2.15655 A23 2.05818 0.00003 -0.00005 0.00014 0.00009 2.05827 A24 2.10327 -0.00004 0.00006 -0.00017 -0.00011 2.10317 A25 2.12061 0.00000 -0.00001 0.00001 -0.00000 2.12061 A26 2.17077 0.00000 -0.00001 0.00000 -0.00000 2.17077 A27 1.97580 0.00000 -0.00001 0.00003 0.00001 1.97582 A28 2.13646 -0.00001 0.00002 -0.00003 -0.00001 2.13645 A29 2.04428 0.00001 0.00001 0.00001 0.00002 2.04430 A30 2.03619 0.00002 -0.00009 0.00008 -0.00001 2.03618 A31 2.20247 -0.00002 0.00007 -0.00009 -0.00002 2.20245 A32 2.00078 -0.00002 0.00010 -0.00005 0.00006 2.00084 A33 1.95730 -0.00000 0.00005 -0.00005 0.00001 1.95731 A34 1.83698 0.00001 0.00003 0.00008 0.00010 1.83708 A35 1.91632 0.00002 0.00011 0.00001 0.00009 1.91641 A36 1.88102 0.00000 -0.00013 0.00003 -0.00010 1.88092 A37 1.86304 -0.00001 -0.00019 -0.00001 -0.00019 1.86285 A38 1.95804 -0.00001 -0.00010 0.00001 -0.00016 1.95789 A39 1.93799 0.00000 0.00011 0.00018 0.00031 1.93829 A40 1.89948 0.00002 0.00002 0.00004 0.00009 1.89957 A41 1.88309 0.00000 0.00001 0.00002 0.00005 1.88314 A42 1.92507 -0.00001 0.00003 -0.00026 -0.00022 1.92485 A43 1.85764 -0.00000 -0.00006 0.00000 -0.00007 1.85758 A44 1.95364 0.00000 -0.00013 0.00004 -0.00013 1.95351 A45 1.91187 -0.00001 0.00003 -0.00022 -0.00018 1.91169 A46 1.91508 -0.00001 0.00002 -0.00008 -0.00005 1.91503 A47 1.89512 0.00001 0.00005 0.00006 0.00013 1.89525 A48 1.93158 0.00001 0.00005 0.00012 0.00019 1.93177 A49 1.85369 0.00000 -0.00002 0.00008 0.00005 1.85374 A50 1.93457 0.00001 0.00001 0.00005 0.00003 1.93460 A51 1.92557 0.00001 -0.00003 0.00014 0.00011 1.92568 A52 1.90642 -0.00001 -0.00006 -0.00008 -0.00014 1.90629 A53 1.92136 -0.00001 0.00007 0.00000 0.00009 1.92145 A54 1.92077 -0.00000 0.00001 -0.00010 -0.00009 1.92068 A55 1.85345 0.00000 0.00000 -0.00000 -0.00000 1.85345 A56 1.96180 -0.00001 -0.00013 -0.00000 -0.00017 1.96164 A57 1.91468 0.00001 0.00015 0.00003 0.00019 1.91486 A58 1.90864 0.00001 0.00005 0.00011 0.00017 1.90881 A59 1.90520 -0.00001 0.00004 -0.00014 -0.00010 1.90510 A60 1.91247 0.00000 -0.00011 0.00000 -0.00010 1.91237 A61 1.85817 -0.00000 0.00001 0.00001 0.00001 1.85818 A62 1.93512 -0.00001 -0.00020 -0.00004 -0.00026 1.93487 A63 1.89477 0.00000 0.00001 0.00009 0.00011 1.89488 A64 1.92550 0.00001 0.00017 0.00001 0.00019 1.92569 A65 1.92819 0.00000 0.00009 -0.00006 0.00003 1.92822 A66 1.91603 -0.00001 -0.00003 -0.00002 -0.00004 1.91599 A67 1.86282 -0.00000 -0.00004 0.00003 -0.00001 1.86282 D1 -3.12778 0.00001 -0.00007 0.00013 0.00006 -3.12773 D2 1.07498 0.00001 -0.00008 0.00016 0.00008 1.07506 D3 -1.01764 0.00001 -0.00009 0.00015 0.00006 -1.01758 D4 -1.05537 -0.00001 0.00005 -0.00009 -0.00004 -1.05541 D5 -3.13579 -0.00000 0.00004 -0.00006 -0.00001 -3.13580 D6 1.05477 -0.00001 0.00004 -0.00008 -0.00004 1.05473 D7 0.99687 -0.00000 0.00002 -0.00003 -0.00001 0.99685 D8 -1.08356 -0.00000 0.00001 -0.00000 0.00001 -1.08354 D9 3.10701 -0.00000 0.00001 -0.00002 -0.00001 3.10700 D10 -1.06403 0.00001 0.00030 0.00035 0.00065 -1.06337 D11 3.08923 0.00001 0.00023 0.00048 0.00071 3.08993 D12 1.08911 0.00001 0.00020 0.00047 0.00067 1.08978 D13 1.64385 -0.00000 -0.00015 -0.00023 -0.00039 1.64347 D14 -1.44749 0.00000 -0.00004 0.00007 0.00002 -1.44747 D15 -2.50797 -0.00001 -0.00010 -0.00038 -0.00048 -2.50845 D16 0.68387 -0.00000 0.00001 -0.00008 -0.00007 0.68380 D17 -0.45190 -0.00000 -0.00011 -0.00030 -0.00040 -0.45231 D18 2.73994 0.00000 0.00000 0.00000 0.00001 2.73995 D19 3.12837 -0.00001 -0.00001 -0.00051 -0.00052 3.12785 D20 0.01095 0.00001 0.00034 0.00026 0.00060 0.01155 D21 -0.00929 -0.00001 -0.00019 -0.00040 -0.00059 -0.00988 D22 -3.12671 0.00001 0.00016 0.00037 0.00053 -3.12618 D23 3.14065 0.00000 -0.00035 0.00018 -0.00016 3.14049 D24 0.02126 0.00000 0.00014 0.00008 0.00022 0.02148 D25 -0.00513 -0.00000 -0.00016 0.00007 -0.00009 -0.00522 D26 -3.12452 0.00000 0.00033 -0.00003 0.00030 -3.12422 D27 -3.10515 0.00001 0.00026 0.00061 0.00086 -3.10429 D28 0.02742 0.00001 0.00037 0.00052 0.00088 0.02830 D29 0.01248 -0.00000 -0.00009 -0.00016 -0.00025 0.01224 D30 -3.13814 -0.00001 0.00002 -0.00025 -0.00023 -3.13836 D31 -3.12251 -0.00000 -0.00009 -0.00000 -0.00009 -3.12259 D32 -0.03169 -0.00001 -0.00019 -0.00031 -0.00050 -0.03219 D33 0.00992 -0.00000 0.00003 -0.00009 -0.00007 0.00985 D34 3.10074 -0.00001 -0.00008 -0.00040 -0.00048 3.10025 D35 3.11013 -0.00001 -0.00025 -0.00027 -0.00053 3.10960 D36 -0.04965 -0.00001 -0.00016 -0.00036 -0.00051 -0.05016 D37 0.02061 -0.00000 -0.00014 0.00003 -0.00010 0.02051 D38 -3.13916 -0.00000 -0.00004 -0.00005 -0.00009 -3.13926 D39 -0.00058 0.00001 0.00032 0.00009 0.00041 -0.00017 D40 3.11642 0.00001 -0.00022 0.00021 -0.00002 3.11641 D41 -3.12238 0.00001 0.00021 0.00018 0.00040 -3.12199 D42 -0.00537 0.00001 -0.00033 0.00030 -0.00003 -0.00540 D43 -2.72292 0.00000 0.00056 0.00010 0.00065 -2.72227 D44 1.35975 -0.00000 0.00029 0.00017 0.00047 1.36022 D45 -0.65927 0.00000 0.00047 0.00016 0.00063 -0.65864 D46 0.44316 0.00000 0.00110 -0.00002 0.00107 0.44423 D47 -1.75736 -0.00000 0.00082 0.00006 0.00089 -1.75647 D48 2.50681 0.00000 0.00101 0.00005 0.00105 2.50786 D49 -2.84105 0.00000 0.00217 -0.00003 0.00214 -2.83891 D50 -0.73230 0.00000 0.00219 0.00013 0.00232 -0.72998 D51 1.30690 0.00001 0.00219 0.00027 0.00247 1.30937 D52 -0.61945 0.00000 0.00241 -0.00013 0.00228 -0.61717 D53 1.48930 0.00000 0.00243 0.00003 0.00246 1.49176 D54 -2.75468 0.00001 0.00243 0.00017 0.00260 -2.75207 D55 1.40355 -0.00000 0.00217 -0.00012 0.00205 1.40560 D56 -2.77088 -0.00000 0.00218 0.00005 0.00222 -2.76866 D57 -0.73168 0.00001 0.00219 0.00018 0.00237 -0.72931 D58 -2.89491 -0.00000 0.00084 -0.00002 0.00081 -2.89410 D59 1.26709 -0.00000 0.00084 0.00002 0.00086 1.26796 D60 -0.76849 -0.00001 0.00078 -0.00008 0.00071 -0.76778 D61 1.14258 0.00001 0.00059 0.00008 0.00065 1.14322 D62 -0.97860 0.00001 0.00059 0.00012 0.00070 -0.97790 D63 -3.01418 0.00000 0.00053 0.00003 0.00054 -3.01364 D64 -0.89176 0.00000 0.00079 0.00004 0.00082 -0.89093 D65 -3.01294 0.00001 0.00079 0.00008 0.00088 -3.01206 D66 1.23467 0.00000 0.00073 -0.00001 0.00072 1.23539 D67 -0.45482 -0.00000 -0.00291 0.00017 -0.00274 -0.45756 D68 1.64823 0.00000 -0.00291 0.00013 -0.00279 1.64545 D69 -2.60640 -0.00001 -0.00290 0.00005 -0.00285 -2.60926 D70 -2.59497 -0.00000 -0.00298 -0.00008 -0.00306 -2.59803 D71 -0.49191 -0.00000 -0.00299 -0.00012 -0.00311 -0.49502 D72 1.53663 -0.00001 -0.00298 -0.00020 -0.00317 1.53346 D73 1.66581 0.00001 -0.00293 0.00004 -0.00289 1.66292 D74 -2.51432 0.00001 -0.00293 0.00000 -0.00294 -2.51726 D75 -0.48577 0.00000 -0.00292 -0.00008 -0.00300 -0.48878 D76 1.08892 -0.00000 0.00067 -0.00016 0.00050 1.08941 D77 -3.06143 0.00000 0.00074 -0.00003 0.00070 -3.06073 D78 -1.03033 0.00000 0.00069 -0.00000 0.00069 -1.02964 D79 -1.02386 0.00001 0.00068 0.00005 0.00073 -1.02314 D80 1.10898 0.00001 0.00076 0.00018 0.00093 1.10991 D81 3.14008 0.00001 0.00071 0.00020 0.00091 3.14099 D82 -3.05203 -0.00000 0.00064 -0.00015 0.00048 -3.05155 D83 -0.91919 -0.00000 0.00072 -0.00002 0.00069 -0.91850 D84 1.11191 -0.00000 0.00067 0.00000 0.00067 1.11258 D85 -0.56420 0.00001 0.00234 0.00012 0.00246 -0.56174 D86 1.55895 0.00000 0.00240 -0.00005 0.00236 1.56131 D87 -2.69236 0.00001 0.00253 0.00004 0.00257 -2.68979 D88 -2.69949 0.00000 0.00232 -0.00009 0.00224 -2.69725 D89 -0.57633 -0.00001 0.00239 -0.00025 0.00213 -0.57420 D90 1.45553 0.00000 0.00251 -0.00017 0.00235 1.45788 D91 1.54658 0.00001 0.00227 -0.00002 0.00224 1.54883 D92 -2.61345 -0.00000 0.00234 -0.00019 0.00214 -2.61131 D93 -0.58158 0.00000 0.00246 -0.00010 0.00236 -0.57922 D94 -0.51080 -0.00000 -0.00279 -0.00004 -0.00283 -0.51363 D95 1.59064 -0.00000 -0.00284 -0.00000 -0.00285 1.58779 D96 -2.64276 -0.00001 -0.00285 -0.00001 -0.00286 -2.64562 D97 -2.63935 -0.00000 -0.00292 0.00002 -0.00289 -2.64224 D98 -0.53791 -0.00000 -0.00297 0.00006 -0.00290 -0.54081 D99 1.51188 -0.00001 -0.00298 0.00006 -0.00292 1.50896 D100 1.61518 0.00001 -0.00289 0.00010 -0.00279 1.61239 D101 -2.56656 0.00000 -0.00294 0.00014 -0.00281 -2.56937 D102 -0.51678 0.00000 -0.00295 0.00013 -0.00282 -0.51960 Item Value Threshold Converged? Maximum Force 0.000047 0.000450 YES RMS Force 0.000009 0.000300 YES Maximum Displacement 0.007651 0.001800 NO RMS Displacement 0.001361 0.001200 NO Predicted change in Energy=-1.624728D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.843837 -4.966137 1.583756 2 6 0 7.232984 -5.452813 2.971523 3 8 0 6.483210 -6.023789 0.743803 4 8 0 2.586979 -1.584739 1.858313 5 6 0 3.472377 -2.387395 1.790394 6 7 0 4.789561 -1.961167 1.748456 7 6 0 5.922264 -2.724408 1.685989 8 8 0 7.019817 -2.241235 1.691918 9 7 0 5.688796 -4.073145 1.628280 10 6 0 4.404391 -4.587412 1.672493 11 6 0 3.299458 -3.846435 1.749890 12 1 0 7.646969 -4.392054 1.151826 13 1 0 7.493524 -4.612201 3.603137 14 1 0 8.096485 -6.109360 2.911567 15 1 0 4.939242 -0.974992 1.788233 16 1 0 4.376028 -5.653557 1.620523 17 6 0 1.873672 -4.363757 1.769871 18 1 0 6.416796 -6.002454 3.427847 19 1 0 7.218912 -6.612315 0.644200 20 6 0 1.719472 -5.803433 2.300640 21 6 0 0.360894 -6.426699 1.909878 22 6 0 -0.713288 -5.361950 1.689582 23 6 0 -0.332813 -4.432925 0.520741 24 6 0 1.192375 -4.238937 0.396777 25 1 0 1.339908 -3.703363 2.444471 26 1 0 2.504159 -6.446631 1.916482 27 1 0 1.832198 -5.792902 3.381169 28 1 0 0.474174 -6.999759 0.992755 29 1 0 0.049233 -7.133757 2.672557 30 1 0 -1.674140 -5.829566 1.496832 31 1 0 -0.835443 -4.782751 2.601415 32 1 0 -0.717318 -4.839345 -0.410538 33 1 0 -0.812203 -3.468436 0.656729 34 1 0 1.618131 -4.985662 -0.270450 35 1 0 1.404358 -3.271520 -0.042057 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521245 0.000000 3 O 1.397927 2.418866 0.000000 4 O 5.443351 6.147080 6.010651 0.000000 5 C 4.249630 4.993398 4.835684 1.196996 0.000000 6 N 3.643765 4.433712 4.514718 2.237216 1.385065 7 C 2.425922 3.288583 3.476822 3.528834 2.475162 8 O 2.732721 3.463677 3.936317 4.484276 3.551815 9 N 1.460663 2.468259 2.284383 3.983258 2.789363 10 C 2.470263 3.230687 2.692050 3.514763 2.392201 11 C 3.720746 4.421025 3.986146 2.373742 1.469810 12 H 1.077570 2.146600 2.045331 5.829549 4.674788 13 H 2.150643 1.083257 3.345012 6.023630 4.940185 14 H 2.153872 1.086408 2.703549 7.206677 6.040896 15 H 4.427023 5.168395 5.381917 2.431018 2.036315 16 H 2.562026 3.166654 2.312127 4.451125 3.393119 17 C 5.009994 5.599307 5.005633 2.870465 2.542103 18 H 2.158004 1.084665 2.684950 6.053688 4.941610 19 H 1.932188 2.600207 0.947386 6.943011 5.761965 20 C 5.241574 5.565235 5.016523 4.329618 3.873286 21 C 6.653431 7.021479 6.245384 5.329417 5.100155 22 C 7.568223 8.049526 7.288492 5.018720 5.135945 23 C 7.274519 8.017967 7.002770 4.292603 4.502853 24 C 5.820375 6.677707 5.594557 3.335532 3.250967 25 H 5.712150 6.169823 5.893235 2.527318 2.589791 26 H 4.597322 4.945965 4.169751 4.862945 4.175014 27 H 5.388020 5.426967 5.351722 4.538438 4.101004 28 H 6.712488 7.210415 6.092866 5.876697 5.558719 29 H 7.214617 7.383850 6.807950 6.155870 5.918114 30 H 8.562067 9.036233 8.194336 6.025475 6.198496 31 H 7.748587 8.104658 7.652032 4.742620 4.995278 32 H 7.820764 8.661524 7.388033 5.163189 5.330076 33 H 7.856045 8.603550 7.730490 4.067745 4.561959 34 H 5.544949 6.500400 5.076950 4.127539 3.799513 35 H 5.924772 6.914664 5.829863 2.802717 2.901078 6 7 8 9 10 6 N 0.000000 7 C 1.367281 0.000000 8 O 2.248483 1.199214 0.000000 9 N 2.298590 1.370011 2.265295 0.000000 10 C 2.655427 2.403103 3.513599 1.384240 0.000000 11 C 2.403050 2.853444 4.052296 2.403148 1.332634 12 H 3.798678 2.457840 2.304569 2.040381 3.289919 13 H 4.216543 3.115778 3.081985 2.729045 3.642904 14 H 5.431029 4.205612 4.196325 3.404404 4.181290 15 H 0.998262 2.009289 2.437507 3.191547 3.653634 16 H 3.717677 3.312860 4.317251 2.054536 1.067787 17 C 3.778268 4.368707 5.567224 3.828795 2.542448 18 H 4.669073 3.744891 4.186149 2.736906 3.022149 19 H 5.362305 4.228764 4.499300 3.123629 3.616511 20 C 4.949077 5.246108 6.415096 4.381951 3.013647 21 C 6.291274 6.684753 7.868092 5.831385 4.448505 22 C 6.469169 7.140532 8.339052 6.530808 5.175987 23 C 5.818556 6.588082 7.761207 6.133177 4.877653 24 C 4.467105 5.131054 6.295021 4.664964 3.473605 25 H 3.926805 4.746751 5.913166 4.440240 3.281547 26 H 5.036932 5.058805 6.174702 3.982261 2.669664 27 H 5.108224 5.386830 6.509939 4.572038 3.314960 28 H 6.676905 6.959949 8.122674 6.013422 4.661337 29 H 7.076748 7.410005 8.572483 6.500963 5.143092 30 H 7.537059 8.208724 9.407394 7.570674 6.206637 31 H 6.350555 7.123299 8.306118 6.634472 5.325121 32 H 6.578062 7.276843 8.428153 6.766250 5.534835 33 H 5.902838 6.853175 7.994885 6.600952 5.431090 34 H 4.825094 5.240848 6.368751 4.583468 3.420069 35 H 4.047538 4.867951 5.966702 4.667872 3.697492 11 12 13 14 15 11 C 0.000000 12 H 4.422243 0.000000 13 H 4.648775 2.465956 0.000000 14 H 5.429714 2.499579 1.755938 0.000000 15 H 3.306894 4.406031 4.800783 6.131215 0.000000 16 H 2.107469 3.536965 3.838484 3.964386 4.715327 17 C 1.516867 5.806353 5.916530 6.563079 4.569659 18 H 4.145088 3.047455 1.767165 1.760491 5.490617 19 H 4.922882 2.317429 3.582064 2.482751 6.187498 20 C 2.574786 6.200563 6.037815 6.413511 5.826090 21 C 3.913888 7.602717 7.552082 7.806629 7.120195 22 C 4.289820 8.433491 8.460235 8.925468 7.155853 23 C 3.879197 8.004802 8.413374 8.920737 6.431050 24 C 2.534713 6.500410 7.079870 7.582176 5.160281 25 H 2.083927 6.474894 6.327360 7.187374 4.563975 26 H 2.724201 5.590570 5.577069 5.690172 5.990401 27 H 2.933029 6.383096 5.787395 6.289831 5.950078 28 H 4.301039 7.633768 7.860395 7.910391 7.541050 29 H 4.713996 8.219194 7.914651 8.115712 7.913571 30 H 5.360366 9.437613 9.484965 9.876481 8.209058 31 H 4.324256 8.614248 8.390723 9.035233 6.964717 32 H 4.667742 8.520701 9.142162 9.504339 7.194755 33 H 4.271258 8.523836 8.886767 9.561564 6.369983 34 H 2.864694 6.222710 7.047297 7.304588 5.599414 35 H 2.670768 6.453769 7.222382 7.846132 4.595586 16 17 18 19 20 16 H 0.000000 17 C 2.819162 0.000000 18 H 2.748251 5.106289 0.000000 19 H 3.155062 5.907177 2.960407 0.000000 20 C 2.746327 1.542128 4.834776 5.800167 0.000000 21 C 4.099119 2.561997 6.257649 6.976304 1.544956 22 C 5.098131 2.774022 7.366812 8.097904 2.546884 23 C 4.987249 2.536472 7.514780 7.860887 3.042730 24 C 3.692472 1.537899 6.292214 6.481766 2.519955 25 H 3.701374 1.084486 5.659297 6.801888 2.138936 26 H 2.054374 2.181140 4.217848 4.886210 1.084903 27 H 3.096831 2.154172 4.589623 6.097469 1.086444 28 H 4.175023 3.083993 6.499158 6.764843 2.166224 29 H 4.692432 3.437487 6.511234 7.469299 2.167437 30 H 6.053991 3.848391 8.319973 8.968057 3.487605 31 H 5.374001 2.864669 7.400381 8.488265 2.767643 32 H 5.543494 3.419591 8.184230 8.199979 3.770663 33 H 5.711514 3.042139 8.146089 8.624555 3.816285 34 H 3.409965 2.148250 6.143163 5.903502 2.699911 35 H 4.155609 2.167099 6.680027 6.740987 3.463828 21 22 23 24 25 21 C 0.000000 22 C 1.528427 0.000000 23 C 2.527067 1.540792 0.000000 24 C 2.786958 2.562041 1.542464 0.000000 25 H 2.942926 2.745246 2.651602 2.121711 0.000000 26 H 2.143368 3.402938 3.748536 2.983990 3.026511 27 H 2.175116 3.086533 3.836517 3.425022 2.342205 28 H 1.087357 2.139639 2.731788 2.914299 3.704484 29 H 1.085699 2.164943 3.474301 3.855636 3.672256 30 H 2.160679 1.085842 2.168529 3.457908 3.808312 31 H 2.147560 1.087121 2.168922 3.044373 2.433487 32 H 3.011074 2.164171 1.086417 2.158512 3.697798 33 H 3.420213 2.159158 1.085609 2.163234 2.807631 34 H 2.900183 3.069012 2.176622 1.088144 3.015376 35 H 3.854091 3.442803 2.164108 1.083239 2.524572 26 27 28 29 30 26 H 0.000000 27 H 1.739023 0.000000 28 H 2.297839 3.000876 0.000000 29 H 2.659032 2.340723 1.737891 0.000000 30 H 4.244415 3.980763 2.497738 2.460336 0.000000 31 H 3.793491 2.957149 3.036118 2.512955 1.737625 32 H 4.286760 4.667585 2.838358 3.918852 2.352468 33 H 4.631942 4.451806 3.773317 4.270856 2.650216 34 H 2.775275 3.745902 2.638353 3.966994 3.830732 35 H 3.889314 4.273042 3.979427 4.911452 4.288231 31 32 33 34 35 31 H 0.000000 32 H 3.014800 0.000000 33 H 2.347290 1.739959 0.000000 34 H 3.782699 2.344218 3.011339 0.000000 35 H 3.780009 2.663713 2.332428 1.742454 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.055034 -1.195778 -0.318394 2 6 0 3.460442 -1.807729 1.014026 3 8 0 2.487156 -2.143584 -1.174769 4 8 0 -0.629591 2.742464 0.419076 5 6 0 0.121437 1.825753 0.250565 6 7 0 1.481209 2.059880 0.129700 7 6 0 2.482453 1.146276 -0.050007 8 8 0 3.637077 1.465649 -0.104391 9 7 0 2.049644 -0.149780 -0.149227 10 6 0 0.709413 -0.475737 -0.032382 11 6 0 -0.266703 0.411068 0.159163 12 1 0 3.903146 -0.720556 -0.783182 13 1 0 3.883636 -1.048725 1.660762 14 1 0 4.211904 -2.577349 0.861470 15 1 0 1.776758 3.010689 0.201398 16 1 0 0.520994 -1.522343 -0.128732 17 6 0 -1.748528 0.103725 0.262224 18 1 0 2.604680 -2.258242 1.505156 19 1 0 3.119857 -2.825476 -1.354364 20 6 0 -2.077051 -1.325438 0.739430 21 6 0 -3.535683 -1.724895 0.423649 22 6 0 -4.453746 -0.506465 0.330502 23 6 0 -4.019873 0.420123 -0.821552 24 6 0 -2.494523 0.399309 -1.049742 25 1 0 -2.132827 0.796484 1.002838 26 1 0 -1.423133 -2.052991 0.270311 27 1 0 -1.891827 -1.389723 1.808037 28 1 0 -3.569732 -2.257794 -0.523560 29 1 0 -3.896199 -2.420054 1.175663 30 1 0 -5.483703 -0.820001 0.189297 31 1 0 -4.427905 0.034062 1.273368 32 1 0 -4.521571 0.124197 -1.738629 33 1 0 -4.341854 1.434709 -0.608268 34 1 0 -2.229025 -0.363632 -1.778775 35 1 0 -2.172336 1.348535 -1.460318 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8141699 0.2822327 0.2279195 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.0637576464 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.34D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000015 0.000002 0.000023 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) = -798.431371247 A.U. after 8 cycles NFock= 8 Conv=0.79D-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 -0.000003843 -0.000003488 0.000012950 2 6 0.000002162 0.000001374 0.000001310 3 8 -0.000002798 0.000015415 -0.000015445 4 8 0.000007989 -0.000001313 0.000003986 5 6 -0.000000930 -0.000001937 0.000012956 6 7 -0.000007578 0.000007796 -0.000034292 7 6 0.000007465 -0.000005015 0.000020786 8 8 -0.000004132 -0.000005822 0.000000492 9 7 0.000008015 0.000000057 -0.000021822 10 6 -0.000005632 -0.000009254 0.000014101 11 6 -0.000003512 0.000009116 -0.000006229 12 1 -0.000001016 0.000003372 -0.000003202 13 1 0.000000875 -0.000000347 0.000001779 14 1 0.000000258 0.000000907 -0.000000392 15 1 0.000000888 -0.000003612 0.000006800 16 1 0.000000724 0.000005875 -0.000002828 17 6 0.000019605 0.000003706 0.000002858 18 1 0.000000395 0.000000401 0.000000153 19 1 0.000002147 -0.000007134 0.000009057 20 6 -0.000008178 0.000004660 -0.000004539 21 6 -0.000002928 -0.000009637 -0.000000338 22 6 -0.000007215 -0.000003847 -0.000003194 23 6 -0.000003017 -0.000013188 -0.000005800 24 6 0.000007003 0.000006564 -0.000002861 25 1 0.000002860 0.000002113 0.000001560 26 1 -0.000001389 0.000000982 0.000001794 27 1 0.000002644 0.000004232 0.000002003 28 1 -0.000009701 -0.000002552 0.000000409 29 1 -0.000003068 0.000004831 -0.000002043 30 1 0.000003778 0.000000402 0.000001093 31 1 0.000000997 -0.000002536 0.000004634 32 1 -0.000001887 -0.000000643 -0.000002923 33 1 0.000002328 -0.000003571 0.000002366 34 1 -0.000003693 0.000003872 -0.000001027 35 1 0.000000383 -0.000001780 0.000005847 ------------------------------------------------------------------- Cartesian Forces: Max 0.000034292 RMS 0.000007175 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000014754 RMS 0.000003818 Search for a local minimum. Step number 24 out of a maximum of 210 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 18 19 20 21 22 23 24 DE= -1.79D-07 DEPred=-1.62D-07 R= 1.10D+00 Trust test= 1.10D+00 RLast= 1.64D-02 DXMaxT set to 1.50D+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 0 Eigenvalues --- 0.00101 0.00282 0.00441 0.00498 0.00510 Eigenvalues --- 0.00961 0.01198 0.01447 0.01477 0.01643 Eigenvalues --- 0.01879 0.01890 0.01940 0.01986 0.02260 Eigenvalues --- 0.02542 0.03577 0.03687 0.03976 0.04431 Eigenvalues --- 0.04577 0.04738 0.04828 0.04943 0.05150 Eigenvalues --- 0.05240 0.05353 0.05396 0.05642 0.05731 Eigenvalues --- 0.05794 0.06223 0.06611 0.06957 0.08012 Eigenvalues --- 0.08084 0.08227 0.08254 0.08411 0.08647 Eigenvalues --- 0.08958 0.09753 0.12047 0.12374 0.15547 Eigenvalues --- 0.15951 0.15994 0.16041 0.16087 0.16151 Eigenvalues --- 0.16313 0.18580 0.19206 0.19846 0.20906 Eigenvalues --- 0.21123 0.22580 0.23857 0.24880 0.24983 Eigenvalues --- 0.25090 0.25495 0.26666 0.27159 0.28128 Eigenvalues --- 0.28459 0.29293 0.29607 0.29969 0.30285 Eigenvalues --- 0.31667 0.34627 0.34726 0.34763 0.34783 Eigenvalues --- 0.34795 0.34811 0.34822 0.34828 0.34833 Eigenvalues --- 0.34842 0.34906 0.34940 0.34952 0.35161 Eigenvalues --- 0.35218 0.36114 0.37837 0.39570 0.41213 Eigenvalues --- 0.43918 0.45108 0.47693 0.49742 0.51798 Eigenvalues --- 0.56656 0.60377 0.87769 0.96608 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 19 18 17 16 15 RFO step: Lambda=-5.48596657D-08. DidBck=F Rises=F RFO-DIIS coefs: 1.33865 -0.15489 -0.13823 -0.05499 0.04790 RFO-DIIS coefs: -0.03242 0.00617 -0.01594 0.00827 -0.00451 Iteration 1 RMS(Cart)= 0.00068197 RMS(Int)= 0.00001507 Iteration 2 RMS(Cart)= 0.00000041 RMS(Int)= 0.00001507 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87474 0.00000 0.00000 0.00001 0.00001 2.87474 R2 2.64170 -0.00000 0.00001 -0.00000 0.00000 2.64170 R3 2.76025 -0.00001 0.00001 -0.00005 -0.00004 2.76022 R4 2.03631 0.00000 0.00000 0.00000 0.00000 2.03632 R5 2.04706 0.00000 -0.00000 0.00000 0.00000 2.04706 R6 2.05301 -0.00000 0.00000 -0.00000 -0.00000 2.05301 R7 2.04972 -0.00000 -0.00000 0.00000 -0.00000 2.04972 R8 1.79030 0.00001 -0.00004 0.00006 0.00002 1.79032 R9 2.26199 -0.00001 -0.00001 -0.00000 -0.00001 2.26199 R10 2.61739 -0.00000 -0.00001 0.00001 -0.00001 2.61738 R11 2.77754 0.00000 0.00001 0.00000 0.00001 2.77755 R12 2.58379 0.00000 0.00001 -0.00000 0.00001 2.58380 R13 1.88644 -0.00000 -0.00001 -0.00000 -0.00001 1.88643 R14 2.26619 -0.00001 -0.00000 -0.00001 -0.00001 2.26618 R15 2.58894 -0.00001 -0.00002 0.00000 -0.00002 2.58893 R16 2.61583 0.00001 0.00002 -0.00000 0.00002 2.61586 R17 2.51831 0.00000 -0.00001 0.00001 -0.00000 2.51831 R18 2.01782 -0.00001 -0.00000 -0.00001 -0.00001 2.01781 R19 2.86646 0.00000 -0.00001 0.00002 0.00001 2.86647 R20 2.91420 0.00000 0.00006 -0.00001 0.00004 2.91424 R21 2.90621 0.00001 0.00000 -0.00001 -0.00000 2.90621 R22 2.04938 0.00000 -0.00000 0.00000 0.00000 2.04938 R23 2.91954 0.00001 -0.00010 0.00008 -0.00003 2.91951 R24 2.05017 -0.00000 -0.00002 0.00001 -0.00001 2.05016 R25 2.05308 0.00000 0.00001 -0.00001 0.00000 2.05308 R26 2.88831 -0.00001 0.00001 -0.00007 -0.00005 2.88826 R27 2.05481 -0.00000 0.00001 -0.00000 0.00001 2.05482 R28 2.05167 -0.00000 0.00001 -0.00002 -0.00000 2.05167 R29 2.91167 0.00000 0.00004 0.00001 0.00005 2.91173 R30 2.05194 -0.00000 -0.00000 -0.00002 -0.00002 2.05193 R31 2.05436 0.00000 -0.00000 0.00002 0.00001 2.05437 R32 2.91484 0.00001 -0.00006 0.00003 -0.00003 2.91481 R33 2.05303 0.00000 -0.00001 0.00001 0.00001 2.05304 R34 2.05150 -0.00000 0.00000 -0.00001 -0.00001 2.05149 R35 2.05630 -0.00000 -0.00001 0.00002 0.00001 2.05630 R36 2.04703 -0.00000 0.00003 -0.00003 0.00000 2.04703 A1 1.95205 0.00001 -0.00001 0.00005 0.00004 1.95209 A2 1.94987 0.00000 0.00005 -0.00002 0.00002 1.94990 A3 1.92351 -0.00000 -0.00004 0.00003 -0.00000 1.92351 A4 1.85133 -0.00000 0.00002 -0.00004 -0.00002 1.85131 A5 1.93318 -0.00000 -0.00004 0.00003 -0.00002 1.93316 A6 1.85030 -0.00000 0.00003 -0.00006 -0.00003 1.85027 A7 1.92322 0.00000 -0.00001 0.00002 0.00001 1.92323 A8 1.92443 -0.00000 0.00002 -0.00003 -0.00001 1.92442 A9 1.93202 0.00000 -0.00001 0.00002 0.00002 1.93203 A10 1.88596 -0.00000 -0.00000 -0.00001 -0.00001 1.88595 A11 1.90595 -0.00000 -0.00000 -0.00000 -0.00000 1.90594 A12 1.89133 0.00000 0.00000 -0.00000 0.00000 1.89133 A13 1.91011 -0.00000 0.00000 -0.00001 -0.00001 1.91010 A14 2.09301 -0.00001 0.00004 -0.00004 0.00000 2.09301 A15 2.18975 0.00000 -0.00004 0.00002 -0.00001 2.18974 A16 2.00041 0.00000 -0.00000 0.00001 0.00001 2.00042 A17 2.23628 -0.00000 -0.00001 -0.00001 -0.00002 2.23626 A18 2.03241 0.00000 0.00000 0.00001 0.00001 2.03242 A19 2.01425 -0.00000 -0.00000 -0.00001 -0.00001 2.01424 A20 2.13302 0.00000 0.00001 -0.00001 0.00000 2.13303 A21 1.99358 0.00000 0.00001 -0.00000 0.00001 1.99358 A22 2.15655 -0.00000 -0.00002 0.00001 -0.00001 2.15654 A23 2.05827 -0.00001 -0.00000 -0.00002 -0.00003 2.05824 A24 2.10317 0.00001 0.00000 0.00001 0.00001 2.10317 A25 2.12061 0.00000 -0.00001 0.00001 -0.00000 2.12061 A26 2.17077 -0.00000 -0.00001 -0.00000 -0.00001 2.17076 A27 1.97582 -0.00000 -0.00001 -0.00000 -0.00001 1.97581 A28 2.13645 0.00000 0.00001 0.00001 0.00002 2.13647 A29 2.04430 -0.00000 0.00001 -0.00001 -0.00000 2.04430 A30 2.03618 0.00001 -0.00008 0.00005 -0.00003 2.03615 A31 2.20245 -0.00000 0.00006 -0.00004 0.00003 2.20248 A32 2.00084 0.00001 0.00008 -0.00001 0.00011 2.00095 A33 1.95731 0.00000 0.00000 -0.00002 0.00000 1.95731 A34 1.83708 -0.00000 -0.00009 0.00009 -0.00001 1.83707 A35 1.91641 -0.00001 0.00015 -0.00009 0.00001 1.91642 A36 1.88092 -0.00000 -0.00005 -0.00002 -0.00007 1.88085 A37 1.86285 0.00000 -0.00013 0.00006 -0.00006 1.86280 A38 1.95789 0.00001 -0.00002 0.00008 -0.00003 1.95786 A39 1.93829 -0.00000 0.00018 -0.00007 0.00014 1.93843 A40 1.89957 -0.00001 -0.00004 -0.00006 -0.00007 1.89950 A41 1.88314 -0.00000 -0.00010 0.00006 -0.00000 1.88314 A42 1.92485 0.00000 -0.00001 0.00002 0.00003 1.92488 A43 1.85758 0.00000 -0.00001 -0.00004 -0.00006 1.85751 A44 1.95351 -0.00000 0.00001 -0.00007 -0.00013 1.95338 A45 1.91169 0.00000 -0.00003 0.00012 0.00010 1.91179 A46 1.91503 0.00000 -0.00005 0.00003 0.00002 1.91505 A47 1.89525 -0.00000 0.00001 -0.00003 0.00000 1.89525 A48 1.93177 -0.00000 0.00003 -0.00003 0.00002 1.93179 A49 1.85374 -0.00000 0.00002 -0.00002 -0.00001 1.85373 A50 1.93460 -0.00000 0.00000 -0.00006 -0.00010 1.93449 A51 1.92568 -0.00000 0.00002 -0.00000 0.00004 1.92572 A52 1.90629 -0.00000 -0.00003 -0.00003 -0.00005 1.90624 A53 1.92145 0.00000 0.00003 -0.00000 0.00006 1.92150 A54 1.92068 0.00000 -0.00005 0.00010 0.00006 1.92073 A55 1.85345 -0.00000 0.00002 -0.00001 0.00001 1.85345 A56 1.96164 0.00000 0.00000 0.00002 -0.00005 1.96158 A57 1.91486 -0.00000 0.00001 0.00007 0.00010 1.91496 A58 1.90881 -0.00000 0.00003 -0.00005 -0.00001 1.90880 A59 1.90510 0.00000 -0.00001 -0.00001 0.00000 1.90511 A60 1.91237 -0.00000 -0.00004 -0.00002 -0.00004 1.91233 A61 1.85818 0.00000 0.00002 -0.00001 -0.00000 1.85818 A62 1.93487 0.00000 -0.00004 0.00002 -0.00007 1.93480 A63 1.89488 0.00000 0.00003 0.00004 0.00008 1.89496 A64 1.92569 -0.00001 0.00001 -0.00003 -0.00000 1.92569 A65 1.92822 -0.00001 0.00005 -0.00005 0.00000 1.92822 A66 1.91599 0.00000 -0.00005 0.00003 0.00001 1.91599 A67 1.86282 0.00000 0.00000 -0.00001 -0.00002 1.86280 D1 -3.12773 0.00000 -0.00006 0.00006 -0.00000 -3.12773 D2 1.07506 0.00000 -0.00006 0.00007 0.00002 1.07508 D3 -1.01758 0.00000 -0.00007 0.00008 0.00001 -1.01757 D4 -1.05541 -0.00000 -0.00000 0.00002 0.00002 -1.05539 D5 -3.13580 0.00000 -0.00000 0.00004 0.00004 -3.13577 D6 1.05473 0.00000 -0.00002 0.00005 0.00003 1.05476 D7 0.99685 -0.00000 0.00003 -0.00004 -0.00000 0.99685 D8 -1.08354 -0.00000 0.00003 -0.00002 0.00001 -1.08353 D9 3.10700 -0.00000 0.00002 -0.00001 0.00001 3.10700 D10 -1.06337 0.00001 0.00039 0.00032 0.00072 -1.06266 D11 3.08993 0.00000 0.00033 0.00035 0.00068 3.09061 D12 1.08978 0.00001 0.00031 0.00042 0.00073 1.09051 D13 1.64347 -0.00000 -0.00001 0.00001 -0.00001 1.64346 D14 -1.44747 0.00000 0.00023 0.00018 0.00041 -1.44706 D15 -2.50845 0.00000 0.00002 0.00003 0.00005 -2.50841 D16 0.68380 0.00001 0.00027 0.00020 0.00046 0.68426 D17 -0.45231 -0.00000 -0.00001 0.00001 0.00001 -0.45230 D18 2.73995 0.00000 0.00024 0.00018 0.00042 2.74037 D19 3.12785 -0.00001 -0.00016 -0.00030 -0.00046 3.12738 D20 0.01155 0.00000 0.00048 -0.00006 0.00042 0.01197 D21 -0.00988 -0.00001 -0.00033 -0.00022 -0.00056 -0.01044 D22 -3.12618 0.00000 0.00031 0.00002 0.00033 -3.12585 D23 3.14049 0.00000 -0.00026 0.00027 0.00001 3.14050 D24 0.02148 0.00000 0.00010 0.00004 0.00014 0.02162 D25 -0.00522 0.00000 -0.00007 0.00018 0.00011 -0.00510 D26 -3.12422 0.00000 0.00029 -0.00005 0.00024 -3.12399 D27 -3.10429 0.00001 0.00052 0.00011 0.00062 -3.10366 D28 0.02830 0.00001 0.00053 0.00019 0.00072 0.02901 D29 0.01224 -0.00000 -0.00012 -0.00014 -0.00026 0.01198 D30 -3.13836 -0.00000 -0.00011 -0.00006 -0.00016 -3.13853 D31 -3.12259 -0.00000 -0.00008 0.00006 -0.00002 -3.12261 D32 -0.03219 -0.00000 -0.00032 -0.00011 -0.00044 -0.03263 D33 0.00985 0.00000 -0.00006 0.00014 0.00008 0.00993 D34 3.10025 -0.00000 -0.00031 -0.00003 -0.00034 3.09991 D35 3.10960 -0.00000 -0.00029 -0.00007 -0.00036 3.10924 D36 -0.05016 -0.00000 -0.00036 -0.00003 -0.00039 -0.05055 D37 0.02051 0.00000 -0.00004 0.00011 0.00007 0.02058 D38 -3.13926 0.00000 -0.00011 0.00015 0.00004 -3.13922 D39 -0.00017 -0.00000 0.00024 -0.00014 0.00010 -0.00007 D40 3.11641 0.00000 -0.00015 0.00012 -0.00004 3.11637 D41 -3.12199 0.00000 0.00032 -0.00019 0.00013 -3.12185 D42 -0.00540 0.00000 -0.00008 0.00007 -0.00000 -0.00541 D43 -2.72227 0.00000 0.00061 0.00008 0.00068 -2.72159 D44 1.36022 0.00001 0.00034 0.00022 0.00057 1.36079 D45 -0.65864 0.00000 0.00053 0.00011 0.00064 -0.65800 D46 0.44423 -0.00000 0.00101 -0.00018 0.00081 0.44505 D47 -1.75647 0.00000 0.00073 -0.00004 0.00071 -1.75576 D48 2.50786 -0.00000 0.00093 -0.00015 0.00078 2.50864 D49 -2.83891 0.00000 0.00106 0.00010 0.00116 -2.83775 D50 -0.72998 0.00000 0.00105 0.00019 0.00123 -0.72876 D51 1.30937 -0.00000 0.00112 0.00007 0.00119 1.31056 D52 -0.61717 0.00000 0.00125 -0.00000 0.00126 -0.61591 D53 1.49176 0.00000 0.00124 0.00008 0.00133 1.49308 D54 -2.75207 -0.00000 0.00131 -0.00004 0.00129 -2.75079 D55 1.40560 0.00000 0.00115 0.00001 0.00115 1.40675 D56 -2.76866 0.00000 0.00114 0.00009 0.00122 -2.76744 D57 -0.72931 -0.00000 0.00121 -0.00003 0.00118 -0.72813 D58 -2.89410 -0.00000 0.00043 -0.00014 0.00027 -2.89383 D59 1.26796 0.00000 0.00037 -0.00012 0.00026 1.26821 D60 -0.76778 0.00000 0.00035 -0.00011 0.00023 -0.76755 D61 1.14322 -0.00001 0.00020 -0.00005 0.00012 1.14334 D62 -0.97790 -0.00001 0.00014 -0.00002 0.00010 -0.97780 D63 -3.01364 -0.00001 0.00012 -0.00002 0.00008 -3.01356 D64 -0.89093 -0.00000 0.00025 -0.00001 0.00023 -0.89070 D65 -3.01206 -0.00000 0.00019 0.00001 0.00022 -3.01184 D66 1.23539 -0.00000 0.00017 0.00002 0.00019 1.23558 D67 -0.45756 0.00000 -0.00150 -0.00003 -0.00152 -0.45908 D68 1.64545 -0.00000 -0.00150 -0.00003 -0.00153 1.64391 D69 -2.60926 0.00000 -0.00151 0.00003 -0.00147 -2.61073 D70 -2.59803 -0.00000 -0.00165 -0.00004 -0.00167 -2.59970 D71 -0.49502 -0.00000 -0.00165 -0.00004 -0.00168 -0.49670 D72 1.53346 0.00000 -0.00166 0.00002 -0.00162 1.53184 D73 1.66292 -0.00000 -0.00157 -0.00003 -0.00161 1.66131 D74 -2.51726 -0.00000 -0.00157 -0.00003 -0.00162 -2.51888 D75 -0.48878 0.00000 -0.00158 0.00003 -0.00156 -0.49034 D76 1.08941 -0.00000 0.00043 0.00007 0.00047 1.08988 D77 -3.06073 -0.00000 0.00049 0.00002 0.00050 -3.06023 D78 -1.02964 -0.00000 0.00051 -0.00000 0.00050 -1.02914 D79 -1.02314 -0.00001 0.00045 -0.00002 0.00043 -1.02271 D80 1.10991 -0.00000 0.00051 -0.00006 0.00045 1.11036 D81 3.14099 -0.00001 0.00053 -0.00008 0.00045 3.14145 D82 -3.05155 -0.00000 0.00040 0.00004 0.00042 -3.05113 D83 -0.91850 0.00000 0.00046 -0.00000 0.00045 -0.91806 D84 1.11258 -0.00000 0.00048 -0.00003 0.00045 1.11303 D85 -0.56174 -0.00000 0.00105 -0.00014 0.00092 -0.56082 D86 1.56131 0.00000 0.00104 -0.00008 0.00097 1.56228 D87 -2.68979 -0.00000 0.00109 -0.00008 0.00102 -2.68877 D88 -2.69725 -0.00000 0.00100 -0.00009 0.00091 -2.69634 D89 -0.57420 0.00000 0.00099 -0.00004 0.00095 -0.57325 D90 1.45788 0.00000 0.00104 -0.00004 0.00101 1.45889 D91 1.54883 -0.00001 0.00098 -0.00014 0.00083 1.54966 D92 -2.61131 -0.00000 0.00097 -0.00009 0.00087 -2.61043 D93 -0.57922 -0.00000 0.00102 -0.00009 0.00093 -0.57829 D94 -0.51363 0.00000 -0.00123 0.00005 -0.00117 -0.51480 D95 1.58779 0.00000 -0.00118 0.00007 -0.00111 1.58668 D96 -2.64562 0.00000 -0.00118 0.00005 -0.00113 -2.64675 D97 -2.64224 -0.00000 -0.00123 -0.00005 -0.00127 -2.64351 D98 -0.54081 -0.00000 -0.00119 -0.00003 -0.00121 -0.54202 D99 1.50896 -0.00000 -0.00118 -0.00005 -0.00123 1.50773 D100 1.61239 -0.00000 -0.00123 -0.00002 -0.00125 1.61114 D101 -2.56937 -0.00000 -0.00118 0.00001 -0.00119 -2.57056 D102 -0.51960 -0.00000 -0.00118 -0.00002 -0.00120 -0.52080 Item Value Threshold Converged? Maximum Force 0.000015 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.004780 0.001800 NO RMS Displacement 0.000682 0.001200 YES Predicted change in Energy=-2.367848D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.843824 -4.966094 1.583494 2 6 0 7.232687 -5.452993 2.971268 3 8 0 6.483360 -6.023575 0.743253 4 8 0 2.587113 -1.584622 1.858692 5 6 0 3.472475 -2.387290 1.790508 6 7 0 4.789650 -1.961088 1.748161 7 6 0 5.922330 -2.724387 1.685849 8 8 0 7.019905 -2.241278 1.692012 9 7 0 5.688809 -4.073095 1.627894 10 6 0 4.404385 -4.587335 1.672246 11 6 0 3.299496 -3.846327 1.749943 12 1 0 7.647049 -4.391938 1.151825 13 1 0 7.493100 -4.612487 3.603078 14 1 0 8.096210 -6.109516 2.911373 15 1 0 4.939390 -0.974940 1.788261 16 1 0 4.375989 -5.653463 1.620089 17 6 0 1.873674 -4.363557 1.770044 18 1 0 6.416418 -6.002717 3.427345 19 1 0 7.218887 -6.612426 0.644198 20 6 0 1.719160 -5.802926 2.301617 21 6 0 0.361224 -6.426745 1.909572 22 6 0 -0.713313 -5.362377 1.689337 23 6 0 -0.332724 -4.432833 0.520909 24 6 0 1.192506 -4.239364 0.396830 25 1 0 1.339875 -3.702757 2.444219 26 1 0 2.504461 -6.446292 1.919012 27 1 0 1.830517 -5.791549 3.382280 28 1 0 0.475334 -6.999147 0.992134 29 1 0 0.049462 -7.134463 2.671593 30 1 0 -1.673925 -5.830282 1.496145 31 1 0 -0.835931 -4.783568 2.601364 32 1 0 -0.717541 -4.838502 -0.410572 33 1 0 -0.811672 -3.468224 0.657570 34 1 0 1.618040 -4.986585 -0.269989 35 1 0 1.404778 -3.272258 -0.042553 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521249 0.000000 3 O 1.397929 2.418906 0.000000 4 O 5.443316 6.146827 6.010761 0.000000 5 C 4.249598 4.993188 4.835777 1.196993 0.000000 6 N 3.643736 4.433714 4.514676 2.237211 1.385060 7 C 2.425877 3.288560 3.476764 3.528826 2.475152 8 O 2.732656 3.463652 3.936217 4.484265 3.551800 9 N 1.460644 2.468265 2.284354 3.983250 2.789358 10 C 2.470263 3.230498 2.692202 3.514758 2.392204 11 C 3.720732 4.420747 3.986330 2.373736 1.469815 12 H 1.077573 2.146603 2.045322 5.829549 4.674783 13 H 2.150654 1.083258 3.345047 6.023251 4.939872 14 H 2.153867 1.086407 2.703593 7.206452 6.040714 15 H 4.426976 5.168334 5.381877 2.431025 2.036315 16 H 2.562036 3.166480 2.312322 4.451121 3.393120 17 C 5.010015 5.599003 5.005913 2.870424 2.542088 18 H 2.158020 1.084665 2.685008 6.053414 4.941392 19 H 1.932190 2.599948 0.947395 6.943137 5.762066 20 C 5.241963 5.565058 5.017448 4.329389 3.873230 21 C 6.653114 7.020854 6.245269 5.329476 5.100122 22 C 7.568261 8.049254 7.288646 5.019256 5.136361 23 C 7.274359 8.017508 7.002778 4.292716 4.502850 24 C 5.820112 6.677156 5.594332 3.336109 3.251272 25 H 5.712296 6.169792 5.893633 2.526843 2.589550 26 H 4.597133 4.944695 4.170460 4.862747 4.174813 27 H 5.389829 5.428351 5.354180 4.537840 4.101066 28 H 6.711235 7.208980 6.091802 5.876020 5.557830 29 H 7.214509 7.383486 6.807907 6.156396 5.918528 30 H 8.561922 9.035822 8.194236 6.026070 6.198893 31 H 7.749066 8.104786 7.652595 4.743632 4.996199 32 H 7.820922 8.661441 7.388415 5.163142 5.330049 33 H 7.855417 8.602570 7.730113 4.067233 4.561346 34 H 5.544785 6.499811 5.076745 4.128406 3.800119 35 H 5.924216 6.913989 5.829171 2.803706 2.901491 6 7 8 9 10 6 N 0.000000 7 C 1.367286 0.000000 8 O 2.248488 1.199210 0.000000 9 N 2.298592 1.370001 2.265278 0.000000 10 C 2.655441 2.403106 3.513591 1.384253 0.000000 11 C 2.403058 2.853439 4.052282 2.403151 1.332633 12 H 3.798602 2.457756 2.304442 2.040345 3.289968 13 H 4.216548 3.115767 3.081999 2.729059 3.642651 14 H 5.431009 4.205563 4.196253 3.404396 4.181153 15 H 0.998258 2.009285 2.437503 3.191537 3.653641 16 H 3.717681 3.312851 4.317230 2.054537 1.067781 17 C 3.778260 4.368705 5.567213 3.828816 2.542467 18 H 4.669133 3.744914 4.186169 2.736948 3.021913 19 H 5.362357 4.228823 4.499383 3.123620 3.616532 20 C 4.949135 5.246257 6.415206 4.382275 3.014001 21 C 6.291192 6.684564 7.867878 5.831138 4.448247 22 C 6.469531 7.140782 8.339301 6.530941 5.176081 23 C 5.818452 6.587987 7.761157 6.132999 4.877463 24 C 4.467223 5.131077 6.295111 4.664751 3.473317 25 H 3.926685 4.746706 5.913077 4.440356 3.281713 26 H 5.036699 5.058534 6.174376 3.982071 2.669518 27 H 5.108742 5.387791 6.510851 4.573551 3.316496 28 H 6.675847 6.958777 8.121488 6.012179 4.660132 29 H 7.077141 7.410198 8.572627 6.501040 5.143142 30 H 7.537372 8.208877 9.407551 7.570662 6.206592 31 H 6.351497 7.124078 8.306885 6.635107 5.325662 32 H 6.577902 7.276836 8.428197 6.766277 5.534920 33 H 5.902173 6.852549 7.994315 6.600276 5.430398 34 H 4.825523 5.241159 6.369168 4.583403 3.419853 35 H 4.047615 4.867835 5.966682 4.667403 3.696972 11 12 13 14 15 11 C 0.000000 12 H 4.422290 0.000000 13 H 4.648379 2.465965 0.000000 14 H 5.429495 2.499565 1.755930 0.000000 15 H 3.306900 4.405944 4.800702 6.131130 0.000000 16 H 2.107473 3.537025 3.838262 3.964271 4.715324 17 C 1.516872 5.806450 5.916074 6.562847 4.569647 18 H 4.144744 3.047467 1.767163 1.760493 5.490606 19 H 4.922967 2.317666 3.581888 2.482478 6.187588 20 C 2.574896 6.201030 6.037328 6.413468 5.826051 21 C 3.913755 7.602490 7.551367 7.806039 7.120147 22 C 4.290072 8.433643 8.459903 8.925205 7.156288 23 C 3.879115 8.004780 8.412821 8.920343 6.431049 24 C 2.534718 6.500340 7.079317 7.581657 5.160590 25 H 2.083925 6.475005 6.327143 7.187404 4.563746 26 H 2.724057 5.590631 5.575432 5.689100 5.990132 27 H 2.933652 6.384817 5.788245 6.291404 5.950270 28 H 4.300051 7.632597 7.858894 7.909025 7.540072 29 H 4.714234 8.219152 7.914276 8.115305 7.914001 30 H 5.360542 9.437582 9.484542 9.876051 8.209484 31 H 4.324939 8.614841 8.390796 9.035341 6.965711 32 H 4.667850 8.520966 9.141941 9.504367 7.194641 33 H 4.270590 8.523350 8.885639 9.560670 6.369430 34 H 2.864892 6.222869 7.046767 7.304021 5.600094 35 H 2.670684 6.453384 7.221808 7.845443 4.595981 16 17 18 19 20 16 H 0.000000 17 C 2.819207 0.000000 18 H 2.748000 5.105881 0.000000 19 H 3.155003 5.907305 2.960002 0.000000 20 C 2.746919 1.542150 4.834400 5.800804 0.000000 21 C 4.098793 2.561975 6.256901 6.975901 1.544939 22 C 5.098090 2.774285 7.366395 8.097823 2.546742 23 C 4.986994 2.536401 7.514175 7.860831 3.042746 24 C 3.691964 1.537898 6.291478 6.481503 2.519980 25 H 3.701680 1.084486 5.659297 6.802134 2.138902 26 H 2.054398 2.181255 4.216069 4.886570 1.084899 27 H 3.099002 2.154143 4.590982 6.099628 1.086445 28 H 4.173764 3.083315 6.497662 6.763588 2.166286 29 H 4.692319 3.437799 6.510771 7.468836 2.167433 30 H 6.053767 3.848605 8.319431 8.967702 3.487486 31 H 5.374359 2.865216 7.400347 8.488540 2.767205 32 H 5.543626 3.419803 8.184032 8.200380 3.771418 33 H 5.710826 3.041431 8.144974 8.624156 3.815604 34 H 3.409311 2.148313 6.142250 5.903269 2.699962 35 H 4.154830 2.167096 6.679232 6.740342 3.463848 21 22 23 24 25 21 C 0.000000 22 C 1.528402 0.000000 23 C 2.526981 1.540820 0.000000 24 C 2.786405 2.562007 1.542450 0.000000 25 H 2.943419 2.745864 2.651362 2.121666 0.000000 26 H 2.143347 3.403189 3.749444 2.984761 3.026399 27 H 2.175124 3.085663 3.835774 3.424799 2.341739 28 H 1.087363 2.139624 2.731479 2.912924 3.704345 29 H 1.085697 2.164934 3.474236 3.855217 3.673347 30 H 2.160676 1.085833 2.168587 3.457737 3.808964 31 H 2.147507 1.087128 2.168992 3.044780 2.434539 32 H 3.011530 2.164274 1.086421 2.158505 3.697663 33 H 3.419947 2.159175 1.085604 2.163185 2.806470 34 H 2.898988 3.068451 2.176613 1.088149 3.015380 35 H 3.853645 3.443015 2.164101 1.083240 2.524594 26 27 28 29 30 26 H 0.000000 27 H 1.738978 0.000000 28 H 2.298284 3.001269 0.000000 29 H 2.658378 2.341079 1.737890 0.000000 30 H 4.244667 3.979965 2.497916 2.460209 0.000000 31 H 3.793214 2.955639 3.036087 2.513078 1.737629 32 H 4.288735 4.667615 2.838823 3.919116 2.352418 33 H 4.632155 4.450062 3.773027 4.270732 2.650662 34 H 2.776367 3.745956 2.636122 3.965694 3.829895 35 H 3.889927 4.272887 3.977957 4.911221 4.288297 31 32 33 34 35 31 H 0.000000 32 H 3.014763 0.000000 33 H 2.347138 1.739957 0.000000 34 H 3.782574 2.344490 3.011525 0.000000 35 H 3.780890 2.663230 2.332642 1.742448 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.054953 -1.195883 -0.318352 2 6 0 3.459955 -1.807911 1.014162 3 8 0 2.487250 -2.143583 -1.174964 4 8 0 -0.629366 2.742579 0.419207 5 6 0 0.121581 1.825832 0.250554 6 7 0 1.481328 2.059896 0.129331 7 6 0 2.482526 1.146176 -0.050087 8 8 0 3.637194 1.465422 -0.104211 9 7 0 2.049611 -0.149823 -0.149455 10 6 0 0.709355 -0.475697 -0.032511 11 6 0 -0.266670 0.411169 0.159201 12 1 0 3.903226 -0.720689 -0.782881 13 1 0 3.883015 -1.048963 1.661052 14 1 0 4.211425 -2.577555 0.861774 15 1 0 1.776986 3.010648 0.201277 16 1 0 0.520860 -1.522274 -0.128961 17 6 0 -1.748525 0.103979 0.262338 18 1 0 2.604041 -2.258406 1.505044 19 1 0 3.119751 -2.825839 -1.353920 20 6 0 -2.077337 -1.324824 0.740491 21 6 0 -3.535500 -1.724824 0.423319 22 6 0 -4.453917 -0.506698 0.330086 23 6 0 -4.019732 0.420246 -0.821601 24 6 0 -2.494413 0.398843 -1.049850 25 1 0 -2.132839 0.797248 1.002467 26 1 0 -1.422736 -2.052782 0.272964 27 1 0 -1.893388 -1.387996 1.809385 28 1 0 -3.568626 -2.257258 -0.524191 29 1 0 -3.896323 -2.420506 1.174698 30 1 0 -5.483713 -0.820504 0.188384 31 1 0 -4.428607 0.033582 1.273115 32 1 0 -4.521603 0.125055 -1.738824 33 1 0 -4.341186 1.434882 -0.607782 34 1 0 -2.229170 -0.364653 -1.778401 35 1 0 -2.171968 1.347701 -1.461076 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8141421 0.2822342 0.2279247 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.0648232465 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.34D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000025 0.000012 0.000017 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) = -798.431371224 A.U. after 7 cycles NFock= 7 Conv=0.78D-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 0.000002322 -0.000002198 0.000002688 2 6 0.000001914 -0.000001841 -0.000002023 3 8 0.000004240 0.000006130 -0.000008045 4 8 0.000004408 0.000002110 0.000005104 5 6 -0.000001233 -0.000002225 -0.000000531 6 7 -0.000000182 -0.000000790 -0.000010271 7 6 0.000000798 0.000002007 0.000007096 8 8 -0.000000863 0.000002154 0.000000507 9 7 -0.000005398 -0.000004550 -0.000008105 10 6 0.000001666 0.000001823 0.000008073 11 6 -0.000004715 0.000005044 0.000000039 12 1 -0.000001132 -0.000000877 -0.000000206 13 1 0.000000198 -0.000000236 -0.000000564 14 1 0.000000936 -0.000000261 0.000001146 15 1 -0.000000405 0.000000971 0.000001772 16 1 -0.000000431 -0.000002486 -0.000001649 17 6 0.000009217 0.000004486 -0.000001884 18 1 0.000000056 -0.000000140 0.000000539 19 1 -0.000005797 -0.000001484 0.000008258 20 6 -0.000002496 -0.000016424 -0.000013480 21 6 0.000000010 -0.000010935 0.000019517 22 6 -0.000003955 -0.000001763 -0.000011042 23 6 0.000001388 -0.000003076 -0.000002725 24 6 0.000000436 0.000011362 -0.000005811 25 1 0.000005311 0.000003690 -0.000003014 26 1 0.000000741 0.000000948 -0.000003303 27 1 -0.000006678 -0.000003549 0.000002629 28 1 0.000001146 -0.000001646 0.000007144 29 1 0.000002714 0.000003228 0.000005009 30 1 -0.000001564 0.000000459 -0.000001947 31 1 0.000000902 0.000000959 -0.000001338 32 1 -0.000000169 -0.000005557 0.000002564 33 1 0.000002036 0.000002489 -0.000002016 34 1 -0.000002153 0.000008742 0.000002124 35 1 -0.000003267 0.000003435 0.000003748 ------------------------------------------------------------------- Cartesian Forces: Max 0.000019517 RMS 0.000004907 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000019535 RMS 0.000003574 Search for a local minimum. Step number 25 out of a maximum of 210 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 18 19 20 21 22 23 24 25 DE= 2.30D-08 DEPred=-2.37D-08 R=-9.72D-01 Trust test=-9.72D-01 RLast= 8.18D-03 DXMaxT set to 7.50D-01 ITU= -1 0 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 0 Eigenvalues --- 0.00109 0.00275 0.00441 0.00489 0.00513 Eigenvalues --- 0.00912 0.00986 0.01443 0.01500 0.01614 Eigenvalues --- 0.01881 0.01900 0.01941 0.01988 0.02272 Eigenvalues --- 0.02540 0.03582 0.03683 0.04000 0.04436 Eigenvalues --- 0.04603 0.04739 0.04845 0.04939 0.05150 Eigenvalues --- 0.05237 0.05350 0.05395 0.05642 0.05730 Eigenvalues --- 0.05836 0.06220 0.06656 0.06979 0.08019 Eigenvalues --- 0.08084 0.08225 0.08286 0.08412 0.08822 Eigenvalues --- 0.08950 0.09753 0.12052 0.12423 0.15574 Eigenvalues --- 0.15949 0.15993 0.16044 0.16088 0.16149 Eigenvalues --- 0.16323 0.18584 0.19261 0.19899 0.20886 Eigenvalues --- 0.21210 0.22581 0.23861 0.24878 0.24985 Eigenvalues --- 0.25111 0.25559 0.26701 0.27129 0.28124 Eigenvalues --- 0.28613 0.29404 0.29961 0.30189 0.30643 Eigenvalues --- 0.31415 0.34638 0.34724 0.34765 0.34785 Eigenvalues --- 0.34795 0.34810 0.34821 0.34827 0.34831 Eigenvalues --- 0.34842 0.34910 0.34948 0.34952 0.35129 Eigenvalues --- 0.35414 0.36183 0.37881 0.39403 0.41265 Eigenvalues --- 0.43920 0.45118 0.47705 0.49739 0.52062 Eigenvalues --- 0.56657 0.60385 0.87753 0.96610 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 19 18 17 16 RFO step: Lambda=-1.16323919D-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. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.23047 -0.78547 0.54143 0.01357 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00065554 RMS(Int)= 0.00000035 Iteration 2 RMS(Cart)= 0.00000035 RMS(Int)= 0.00000023 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87474 0.00000 0.00001 -0.00000 0.00000 2.87475 R2 2.64170 -0.00000 -0.00001 0.00002 0.00000 2.64170 R3 2.76022 0.00000 0.00001 -0.00001 0.00000 2.76022 R4 2.03632 -0.00000 0.00001 -0.00001 -0.00001 2.03631 R5 2.04706 -0.00000 0.00000 -0.00000 -0.00000 2.04706 R6 2.05301 0.00000 0.00000 0.00000 0.00000 2.05301 R7 2.04972 0.00000 -0.00000 0.00000 0.00000 2.04972 R8 1.79032 -0.00000 0.00001 -0.00002 -0.00001 1.79031 R9 2.26199 -0.00000 -0.00001 0.00000 -0.00000 2.26199 R10 2.61738 0.00000 -0.00001 0.00001 0.00000 2.61739 R11 2.77755 0.00000 -0.00001 0.00001 -0.00000 2.77754 R12 2.58380 -0.00000 -0.00001 0.00001 0.00000 2.58380 R13 1.88643 0.00000 -0.00001 0.00001 0.00000 1.88644 R14 2.26618 0.00000 -0.00000 0.00000 -0.00000 2.26618 R15 2.58893 0.00000 -0.00001 0.00002 0.00001 2.58894 R16 2.61586 -0.00000 -0.00000 0.00000 -0.00000 2.61585 R17 2.51831 -0.00000 0.00002 -0.00002 -0.00000 2.51831 R18 2.01781 0.00000 -0.00002 0.00003 0.00001 2.01782 R19 2.86647 -0.00000 0.00000 -0.00001 -0.00001 2.86646 R20 2.91424 0.00002 -0.00005 0.00003 -0.00002 2.91422 R21 2.90621 0.00001 0.00001 -0.00000 0.00001 2.90621 R22 2.04938 -0.00000 -0.00002 0.00001 -0.00001 2.04938 R23 2.91951 -0.00001 0.00017 -0.00013 0.00004 2.91955 R24 2.05016 0.00000 -0.00001 0.00002 0.00001 2.05017 R25 2.05308 0.00000 0.00000 0.00000 0.00000 2.05309 R26 2.88826 0.00001 -0.00006 0.00009 0.00003 2.88829 R27 2.05482 -0.00001 -0.00001 -0.00000 -0.00001 2.05481 R28 2.05167 0.00000 -0.00002 0.00002 -0.00000 2.05167 R29 2.91173 0.00001 -0.00007 0.00001 -0.00006 2.91166 R30 2.05193 0.00000 0.00001 -0.00000 0.00001 2.05193 R31 2.05437 -0.00000 0.00000 -0.00001 -0.00001 2.05437 R32 2.91481 0.00000 0.00011 -0.00005 0.00006 2.91487 R33 2.05304 -0.00000 0.00001 -0.00001 -0.00000 2.05304 R34 2.05149 0.00000 -0.00001 0.00001 0.00000 2.05150 R35 2.05630 -0.00001 0.00000 -0.00001 -0.00001 2.05629 R36 2.04703 0.00000 -0.00002 0.00002 -0.00000 2.04703 A1 1.95209 0.00000 0.00004 -0.00005 -0.00001 1.95207 A2 1.94990 0.00000 -0.00000 0.00002 0.00002 1.94991 A3 1.92351 -0.00000 0.00001 -0.00002 -0.00001 1.92350 A4 1.85131 -0.00000 0.00002 -0.00003 -0.00002 1.85129 A5 1.93316 0.00000 -0.00004 0.00005 0.00001 1.93317 A6 1.85027 0.00000 -0.00002 0.00004 0.00002 1.85030 A7 1.92323 -0.00000 0.00002 -0.00003 -0.00001 1.92322 A8 1.92442 0.00000 -0.00000 0.00001 0.00001 1.92443 A9 1.93203 0.00000 -0.00002 0.00003 0.00001 1.93204 A10 1.88595 -0.00000 -0.00000 -0.00001 -0.00001 1.88594 A11 1.90594 -0.00000 0.00000 -0.00001 -0.00000 1.90594 A12 1.89133 -0.00000 0.00000 -0.00000 -0.00000 1.89133 A13 1.91010 -0.00000 -0.00003 0.00004 0.00000 1.91010 A14 2.09301 -0.00000 -0.00003 0.00003 -0.00000 2.09301 A15 2.18974 0.00001 0.00002 -0.00001 0.00001 2.18975 A16 2.00042 -0.00000 0.00001 -0.00002 -0.00001 2.00042 A17 2.23626 0.00000 0.00000 0.00001 0.00001 2.23626 A18 2.03242 -0.00000 0.00001 -0.00002 -0.00001 2.03241 A19 2.01424 -0.00000 0.00000 -0.00000 -0.00000 2.01424 A20 2.13303 -0.00000 0.00002 -0.00003 -0.00001 2.13301 A21 1.99358 -0.00000 0.00000 -0.00001 -0.00000 1.99358 A22 2.15654 0.00000 -0.00002 0.00004 0.00002 2.15656 A23 2.05824 0.00001 -0.00005 0.00010 0.00004 2.05828 A24 2.10317 -0.00000 0.00006 -0.00009 -0.00004 2.10314 A25 2.12061 -0.00000 0.00000 -0.00001 -0.00001 2.12059 A26 2.17076 0.00000 -0.00000 0.00001 0.00001 2.17076 A27 1.97581 -0.00000 -0.00001 0.00001 -0.00000 1.97581 A28 2.13647 -0.00000 0.00001 -0.00002 -0.00001 2.13647 A29 2.04430 -0.00000 -0.00001 0.00001 0.00000 2.04430 A30 2.03615 0.00001 -0.00001 0.00006 0.00005 2.03621 A31 2.20248 -0.00001 0.00002 -0.00008 -0.00006 2.20242 A32 2.00095 -0.00000 -0.00001 -0.00010 -0.00011 2.00084 A33 1.95731 0.00000 -0.00000 -0.00004 -0.00005 1.95727 A34 1.83707 -0.00000 -0.00005 0.00004 -0.00001 1.83706 A35 1.91642 0.00000 -0.00005 0.00010 0.00006 1.91647 A36 1.88085 -0.00000 0.00004 0.00002 0.00006 1.88091 A37 1.86280 -0.00000 0.00009 -0.00003 0.00006 1.86286 A38 1.95786 0.00001 0.00009 0.00002 0.00011 1.95797 A39 1.93843 0.00000 -0.00014 0.00002 -0.00012 1.93831 A40 1.89950 -0.00000 -0.00006 0.00007 0.00001 1.89951 A41 1.88314 -0.00000 -0.00003 0.00004 0.00001 1.88314 A42 1.92488 -0.00001 0.00013 -0.00017 -0.00004 1.92484 A43 1.85751 0.00000 0.00002 0.00001 0.00003 1.85754 A44 1.95338 -0.00000 0.00004 0.00007 0.00011 1.95350 A45 1.91179 -0.00000 0.00013 -0.00016 -0.00003 1.91176 A46 1.91505 0.00000 0.00003 -0.00006 -0.00003 1.91502 A47 1.89525 0.00000 -0.00007 0.00006 -0.00001 1.89524 A48 1.93179 0.00001 -0.00010 0.00004 -0.00005 1.93173 A49 1.85373 -0.00000 -0.00003 0.00004 0.00001 1.85374 A50 1.93449 0.00001 -0.00003 0.00014 0.00011 1.93461 A51 1.92572 -0.00000 -0.00005 0.00001 -0.00005 1.92567 A52 1.90624 -0.00000 0.00006 -0.00003 0.00003 1.90627 A53 1.92150 0.00000 -0.00003 -0.00002 -0.00006 1.92145 A54 1.92073 -0.00001 0.00006 -0.00011 -0.00004 1.92069 A55 1.85345 0.00000 0.00000 -0.00000 0.00000 1.85346 A56 1.96158 0.00000 0.00008 0.00002 0.00011 1.96169 A57 1.91496 -0.00000 -0.00007 -0.00003 -0.00010 1.91486 A58 1.90880 0.00000 -0.00010 0.00008 -0.00002 1.90878 A59 1.90511 0.00000 0.00005 -0.00007 -0.00001 1.90509 A60 1.91233 -0.00000 0.00004 -0.00001 0.00003 1.91236 A61 1.85818 0.00000 -0.00000 0.00000 -0.00000 1.85818 A62 1.93480 -0.00000 0.00013 0.00001 0.00015 1.93495 A63 1.89496 0.00000 -0.00004 -0.00002 -0.00007 1.89490 A64 1.92569 0.00000 -0.00010 0.00005 -0.00005 1.92563 A65 1.92822 -0.00000 -0.00003 0.00001 -0.00002 1.92820 A66 1.91599 0.00000 0.00003 -0.00005 -0.00002 1.91598 A67 1.86280 0.00000 0.00000 0.00000 0.00001 1.86281 D1 -3.12773 0.00000 -0.00002 0.00002 -0.00000 -3.12773 D2 1.07508 0.00000 -0.00003 0.00004 0.00001 1.07509 D3 -1.01757 0.00000 -0.00002 0.00001 -0.00000 -1.01758 D4 -1.05539 -0.00000 0.00002 -0.00004 -0.00002 -1.05541 D5 -3.13577 -0.00000 0.00001 -0.00002 -0.00001 -3.13578 D6 1.05476 -0.00000 0.00003 -0.00005 -0.00002 1.05474 D7 0.99685 0.00000 0.00000 0.00001 0.00001 0.99686 D8 -1.08353 0.00000 -0.00001 0.00003 0.00002 -1.08351 D9 3.10700 0.00000 0.00001 0.00000 0.00001 3.10701 D10 -1.06266 0.00001 -0.00021 0.00059 0.00038 -1.06228 D11 3.09061 0.00000 -0.00024 0.00062 0.00038 3.09098 D12 1.09051 0.00000 -0.00021 0.00057 0.00036 1.09087 D13 1.64346 -0.00000 0.00021 -0.00016 0.00005 1.64351 D14 -1.44706 0.00000 0.00007 0.00007 0.00014 -1.44691 D15 -2.50841 -0.00000 0.00027 -0.00023 0.00003 -2.50837 D16 0.68426 0.00000 0.00013 0.00000 0.00013 0.68439 D17 -0.45230 -0.00000 0.00022 -0.00017 0.00004 -0.45226 D18 2.74037 0.00000 0.00008 0.00006 0.00014 2.74050 D19 3.12738 -0.00000 0.00016 -0.00046 -0.00030 3.12709 D20 0.01197 -0.00000 -0.00026 0.00033 0.00007 0.01204 D21 -0.01044 -0.00000 0.00020 -0.00047 -0.00027 -0.01071 D22 -3.12585 0.00000 -0.00023 0.00032 0.00009 -3.12576 D23 3.14050 0.00000 0.00012 0.00008 0.00020 3.14070 D24 0.02162 0.00000 -0.00008 0.00021 0.00013 0.02174 D25 -0.00510 0.00000 0.00008 0.00008 0.00017 -0.00493 D26 -3.12399 0.00000 -0.00012 0.00022 0.00010 -3.12389 D27 -3.10366 0.00000 -0.00037 0.00059 0.00022 -3.10344 D28 0.02901 0.00000 -0.00033 0.00057 0.00024 0.02926 D29 0.01198 -0.00000 0.00006 -0.00019 -0.00014 0.01184 D30 -3.13853 -0.00000 0.00010 -0.00021 -0.00012 -3.13865 D31 -3.12261 -0.00000 0.00004 -0.00005 -0.00002 -3.12263 D32 -0.03263 -0.00000 0.00018 -0.00029 -0.00011 -0.03274 D33 0.00993 0.00000 0.00008 -0.00007 0.00000 0.00993 D34 3.09991 -0.00000 0.00022 -0.00031 -0.00009 3.09981 D35 3.10924 0.00000 0.00022 -0.00027 -0.00005 3.10919 D36 -0.05055 -0.00000 0.00021 -0.00030 -0.00009 -0.05064 D37 0.02058 0.00000 0.00008 -0.00003 0.00005 0.02063 D38 -3.13922 -0.00000 0.00007 -0.00006 0.00001 -3.13921 D39 -0.00007 -0.00000 -0.00021 0.00014 -0.00008 -0.00015 D40 3.11637 -0.00000 0.00001 -0.00001 0.00000 3.11637 D41 -3.12185 0.00000 -0.00020 0.00017 -0.00003 -3.12188 D42 -0.00541 0.00000 0.00003 0.00002 0.00005 -0.00536 D43 -2.72159 0.00000 -0.00018 0.00005 -0.00013 -2.72172 D44 1.36079 0.00000 -0.00010 0.00002 -0.00008 1.36071 D45 -0.65800 0.00000 -0.00017 0.00005 -0.00012 -0.65812 D46 0.44505 0.00000 -0.00040 0.00020 -0.00021 0.44484 D47 -1.75576 -0.00000 -0.00033 0.00017 -0.00016 -1.75592 D48 2.50864 0.00000 -0.00040 0.00020 -0.00020 2.50844 D49 -2.83775 -0.00000 -0.00096 -0.00001 -0.00097 -2.83872 D50 -0.72876 -0.00000 -0.00105 0.00007 -0.00097 -0.72973 D51 1.31056 0.00000 -0.00114 0.00014 -0.00100 1.30955 D52 -0.61591 -0.00000 -0.00102 -0.00005 -0.00107 -0.61698 D53 1.49308 0.00000 -0.00110 0.00003 -0.00107 1.49201 D54 -2.75079 0.00000 -0.00119 0.00009 -0.00110 -2.75189 D55 1.40675 -0.00000 -0.00092 -0.00002 -0.00093 1.40582 D56 -2.76744 0.00000 -0.00100 0.00006 -0.00094 -2.76838 D57 -0.72813 0.00000 -0.00109 0.00013 -0.00097 -0.72909 D58 -2.89383 -0.00001 -0.00040 -0.00017 -0.00057 -2.89440 D59 1.26821 -0.00000 -0.00042 -0.00017 -0.00059 1.26763 D60 -0.76755 -0.00000 -0.00034 -0.00019 -0.00053 -0.76808 D61 1.14334 -0.00001 -0.00035 -0.00009 -0.00044 1.14291 D62 -0.97780 -0.00000 -0.00036 -0.00009 -0.00046 -0.97825 D63 -3.01356 -0.00000 -0.00029 -0.00011 -0.00040 -3.01396 D64 -0.89070 -0.00001 -0.00041 -0.00016 -0.00057 -0.89127 D65 -3.01184 -0.00000 -0.00043 -0.00016 -0.00059 -3.01243 D66 1.23558 -0.00000 -0.00035 -0.00018 -0.00053 1.23505 D67 -0.45908 0.00001 0.00122 0.00025 0.00147 -0.45761 D68 1.64391 0.00001 0.00125 0.00026 0.00151 1.64542 D69 -2.61073 0.00000 0.00130 0.00018 0.00148 -2.60925 D70 -2.59970 0.00000 0.00137 0.00018 0.00155 -2.59815 D71 -0.49670 0.00000 0.00140 0.00019 0.00159 -0.49512 D72 1.53184 0.00000 0.00145 0.00011 0.00156 1.53340 D73 1.66131 0.00001 0.00129 0.00024 0.00153 1.66284 D74 -2.51888 0.00000 0.00132 0.00025 0.00157 -2.51731 D75 -0.49034 0.00000 0.00137 0.00017 0.00155 -0.48879 D76 1.08988 -0.00001 -0.00018 -0.00030 -0.00049 1.08940 D77 -3.06023 -0.00000 -0.00029 -0.00023 -0.00052 -3.06075 D78 -1.02914 -0.00000 -0.00028 -0.00025 -0.00053 -1.02967 D79 -1.02271 -0.00000 -0.00032 -0.00019 -0.00051 -1.02322 D80 1.11036 0.00000 -0.00042 -0.00012 -0.00054 1.10982 D81 3.14145 0.00000 -0.00042 -0.00014 -0.00055 3.14090 D82 -3.05113 -0.00001 -0.00019 -0.00030 -0.00049 -3.05162 D83 -0.91806 -0.00000 -0.00029 -0.00023 -0.00052 -0.91857 D84 1.11303 -0.00000 -0.00028 -0.00024 -0.00052 1.11250 D85 -0.56082 -0.00000 -0.00119 0.00016 -0.00103 -0.56185 D86 1.56228 0.00000 -0.00112 0.00007 -0.00105 1.56123 D87 -2.68877 0.00000 -0.00123 0.00010 -0.00112 -2.68989 D88 -2.69634 -0.00000 -0.00108 0.00007 -0.00101 -2.69735 D89 -0.57325 -0.00000 -0.00101 -0.00002 -0.00102 -0.57427 D90 1.45889 -0.00000 -0.00111 0.00002 -0.00110 1.45779 D91 1.54966 -0.00000 -0.00110 0.00015 -0.00095 1.54871 D92 -2.61043 0.00000 -0.00103 0.00006 -0.00096 -2.61139 D93 -0.57829 0.00000 -0.00113 0.00009 -0.00104 -0.57933 D94 -0.51480 0.00000 0.00135 0.00005 0.00140 -0.51340 D95 1.58668 0.00000 0.00136 0.00004 0.00140 1.58808 D96 -2.64675 0.00000 0.00137 0.00001 0.00138 -2.64537 D97 -2.64351 0.00000 0.00135 0.00011 0.00147 -2.64204 D98 -0.54202 0.00000 0.00137 0.00010 0.00146 -0.54056 D99 1.50773 0.00000 0.00137 0.00008 0.00145 1.50918 D100 1.61114 0.00000 0.00130 0.00015 0.00146 1.61260 D101 -2.57056 0.00000 0.00132 0.00014 0.00146 -2.56910 D102 -0.52080 0.00000 0.00132 0.00012 0.00144 -0.51936 Item Value Threshold Converged? Maximum Force 0.000020 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.003096 0.001800 NO RMS Displacement 0.000656 0.001200 YES Predicted change in Energy=-5.241603D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.843789 -4.966041 1.583474 2 6 0 7.232481 -5.453205 2.971204 3 8 0 6.483348 -6.023367 0.743026 4 8 0 2.587116 -1.584546 1.859185 5 6 0 3.472465 -2.387206 1.790730 6 7 0 4.789638 -1.961000 1.748318 7 6 0 5.922327 -2.724291 1.686036 8 8 0 7.019894 -2.241164 1.692361 9 7 0 5.688808 -4.072996 1.627885 10 6 0 4.404382 -4.587231 1.672165 11 6 0 3.299492 -3.846233 1.749918 12 1 0 7.647101 -4.391870 1.151994 13 1 0 7.492879 -4.612819 3.603178 14 1 0 8.095976 -6.109765 2.911294 15 1 0 4.939379 -0.974860 1.788664 16 1 0 4.375979 -5.653357 1.619862 17 6 0 1.873706 -4.363545 1.769942 18 1 0 6.416139 -6.002958 3.427116 19 1 0 7.218740 -6.612419 0.644216 20 6 0 1.719460 -5.803076 2.301121 21 6 0 0.361044 -6.426654 1.910273 22 6 0 -0.713228 -5.362116 1.689452 23 6 0 -0.332647 -4.433366 0.520434 24 6 0 1.192538 -4.239021 0.396753 25 1 0 1.339919 -3.702962 2.444334 26 1 0 2.504314 -6.446341 1.917420 27 1 0 1.831929 -5.792143 3.381676 28 1 0 0.474524 -7.000013 0.993359 29 1 0 0.049316 -7.133480 2.673134 30 1 0 -1.673965 -5.829924 1.496630 31 1 0 -0.835645 -4.782690 2.601110 32 1 0 -0.716836 -4.840141 -0.410823 33 1 0 -0.812296 -3.468954 0.656033 34 1 0 1.618572 -4.985671 -0.270378 35 1 0 1.404365 -3.271575 -0.042094 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521251 0.000000 3 O 1.397930 2.418896 0.000000 4 O 5.443325 6.146749 6.010787 0.000000 5 C 4.249608 4.993154 4.835780 1.196992 0.000000 6 N 3.643759 4.433783 4.514653 2.237210 1.385061 7 C 2.425913 3.288637 3.476768 3.528828 2.475159 8 O 2.732732 3.463790 3.936264 4.484250 3.551796 9 N 1.460644 2.468281 2.284341 3.983262 2.789370 10 C 2.470236 3.230411 2.692189 3.514761 2.392204 11 C 3.720714 4.420668 3.986312 2.373741 1.469812 12 H 1.077570 2.146594 2.045325 5.829633 4.674852 13 H 2.150648 1.083258 3.345036 6.023160 4.939843 14 H 2.153876 1.086409 2.703593 7.206391 6.040692 15 H 4.427009 5.168393 5.381879 2.431014 2.036310 16 H 2.561993 3.166353 2.312305 4.451126 3.393122 17 C 5.009940 5.598827 5.005834 2.870497 2.542121 18 H 2.158031 1.084666 2.685009 6.053279 4.941319 19 H 1.932189 2.599776 0.947389 6.943168 5.762073 20 C 5.241602 5.564605 5.017053 4.329449 3.873202 21 C 6.653282 7.020671 6.245615 5.329542 5.100233 22 C 7.568131 8.048942 7.288599 5.019075 5.136183 23 C 7.274272 8.017326 7.002532 4.293372 4.503255 24 C 5.820095 6.677047 5.594325 3.336134 3.251224 25 H 5.712183 6.169541 5.893522 2.526972 2.589627 26 H 4.597156 4.944931 4.170230 4.862848 4.174918 27 H 5.388387 5.426724 5.352723 4.537858 4.100739 28 H 6.712139 7.209332 6.092821 5.877072 5.558907 29 H 7.214569 7.383091 6.808409 6.155778 5.918083 30 H 8.561890 9.035545 8.194334 6.025902 6.198754 31 H 7.748736 8.104395 7.652413 4.742770 4.995485 32 H 7.820238 8.660577 7.387425 5.164100 5.330476 33 H 7.856020 8.603238 7.730396 4.068731 4.562554 34 H 5.544371 6.499417 5.076401 4.128046 3.799619 35 H 5.924611 6.914218 5.829652 2.803539 2.901447 6 7 8 9 10 6 N 0.000000 7 C 1.367289 0.000000 8 O 2.248481 1.199210 0.000000 9 N 2.298595 1.370006 2.265294 0.000000 10 C 2.655431 2.403101 3.513594 1.384250 0.000000 11 C 2.403049 2.853437 4.052278 2.403154 1.332631 12 H 3.798661 2.457817 2.304544 2.040358 3.289980 13 H 4.216653 3.115864 3.082156 2.729078 3.642565 14 H 5.431081 4.205644 4.196407 3.404412 4.181078 15 H 0.998259 2.009285 2.437487 3.191542 3.653631 16 H 3.717676 3.312853 4.317245 2.054538 1.067785 17 C 3.778273 4.368699 5.567205 3.828787 2.542424 18 H 4.669186 3.744979 4.186286 2.736969 3.021804 19 H 5.362394 4.228902 4.499557 3.123614 3.616445 20 C 4.949054 5.246079 6.415014 4.382026 3.013747 21 C 6.291322 6.684732 7.868043 5.831339 4.448455 22 C 6.469357 7.140639 8.339156 6.530826 5.175971 23 C 5.818771 6.588192 7.761380 6.133045 4.877459 24 C 4.467128 5.131039 6.295086 4.664729 3.473308 25 H 3.926758 4.746713 5.913073 4.440310 3.281633 26 H 5.036823 5.058657 6.174514 3.982160 2.669587 27 H 5.108185 5.386861 6.509856 4.572392 3.315382 28 H 6.676962 6.959897 8.122630 6.013220 4.661124 29 H 7.076756 7.409964 8.572376 6.500998 5.143143 30 H 7.537246 8.208806 9.407481 7.570631 6.206562 31 H 6.350826 7.123521 8.306303 6.634706 5.325320 32 H 6.578191 7.276821 8.428230 6.765879 5.534409 33 H 5.903276 6.853509 7.995289 6.601039 5.431096 34 H 4.824875 5.240582 6.368590 4.582925 3.419498 35 H 4.047623 4.868053 5.966930 4.667715 3.697261 11 12 13 14 15 11 C 0.000000 12 H 4.422322 0.000000 13 H 4.648304 2.465949 0.000000 14 H 5.429422 2.499557 1.755927 0.000000 15 H 3.306889 4.406026 4.800788 6.131203 0.000000 16 H 2.107471 3.537016 3.838141 3.964149 4.715320 17 C 1.516865 5.806441 5.915911 6.562668 4.569670 18 H 4.144628 3.047466 1.767160 1.760492 5.490639 19 H 4.922892 2.317793 3.581760 2.482306 6.187674 20 C 2.574793 6.200719 6.036923 6.412981 5.825989 21 C 3.913918 7.602759 7.551092 7.805871 7.120252 22 C 4.289927 8.433583 8.459550 8.924905 7.156103 23 C 3.879277 8.004809 8.412751 8.920101 6.431479 24 C 2.534678 6.500395 7.079208 7.581560 5.160521 25 H 2.083907 6.474973 6.326901 7.187145 4.563831 26 H 2.724137 5.590615 5.575784 5.689266 5.990260 27 H 2.933077 6.383453 5.786729 6.289708 5.949802 28 H 4.301064 7.633703 7.859209 7.909332 7.541214 29 H 4.714017 8.219283 7.913618 8.115013 7.913507 30 H 5.360453 9.437640 9.484194 9.875795 8.209339 31 H 4.324446 8.614502 8.390311 9.034998 6.964950 32 H 4.667713 8.520492 9.141297 9.503371 7.195200 33 H 4.271501 8.524033 8.886508 9.561244 6.370645 34 H 2.864507 6.222451 7.046342 7.303655 5.599465 35 H 2.670776 6.453887 7.221977 7.845730 4.595965 16 17 18 19 20 16 H 0.000000 17 C 2.819133 0.000000 18 H 2.747843 5.105644 0.000000 19 H 3.154833 5.907121 2.959754 0.000000 20 C 2.746566 1.542139 4.833902 5.800211 0.000000 21 C 4.099028 2.562080 6.256556 6.976059 1.544961 22 C 5.098008 2.774139 7.366004 8.097647 2.546871 23 C 4.986811 2.536561 7.513889 7.860474 3.042712 24 C 3.691969 1.537902 6.291310 6.481463 2.520026 25 H 3.701548 1.084483 5.658962 6.801904 2.138934 26 H 2.054384 2.181159 4.216413 4.886148 1.084902 27 H 3.097651 2.154140 4.589280 6.097891 1.086447 28 H 4.174607 3.084113 6.497698 6.764361 2.166279 29 H 4.692565 3.437541 6.510223 7.469180 2.167429 30 H 6.053775 3.848498 8.319044 8.967670 3.487587 31 H 5.374192 2.864804 7.399980 8.488254 2.767624 32 H 5.542722 3.419618 8.182985 8.199234 3.770600 33 H 5.711286 3.042317 8.145572 8.624329 3.816311 34 H 3.409121 2.148264 6.141904 5.902938 2.700173 35 H 4.155174 2.167061 6.679352 6.740861 3.463876 21 22 23 24 25 21 C 0.000000 22 C 1.528419 0.000000 23 C 2.527065 1.540786 0.000000 24 C 2.787088 2.562099 1.542484 0.000000 25 H 2.943114 2.745551 2.651860 2.121714 0.000000 26 H 2.143372 3.402953 3.748598 2.984199 3.026480 27 H 2.175117 3.086481 3.836453 3.425021 2.342084 28 H 1.087359 2.139627 2.731824 2.914543 3.704698 29 H 1.085695 2.164909 3.474281 3.855743 3.672391 30 H 2.160660 1.085837 2.168517 3.457968 3.808623 31 H 2.147543 1.087125 2.168927 3.044386 2.433818 32 H 3.011036 2.164169 1.086420 2.158526 3.698019 33 H 3.420210 2.159128 1.085606 2.163236 2.807991 34 H 2.900525 3.069190 2.176621 1.088142 3.015402 35 H 3.854189 3.442791 2.164118 1.083240 2.524396 26 27 28 29 30 26 H 0.000000 27 H 1.739000 0.000000 28 H 2.297932 3.000926 0.000000 29 H 2.659000 2.340710 1.737890 0.000000 30 H 4.244414 3.980718 2.497678 2.460308 0.000000 31 H 3.793480 2.957064 3.036104 2.512878 1.737630 32 H 4.286771 4.667500 2.838329 3.918825 2.352476 33 H 4.632044 4.451770 3.773337 4.270810 2.650143 34 H 2.775708 3.746120 2.638835 3.967355 3.830911 35 H 3.889566 4.272970 3.979700 4.911510 4.288232 31 32 33 34 35 31 H 0.000000 32 H 3.014823 0.000000 33 H 2.347290 1.739956 0.000000 34 H 3.782832 2.344149 3.011276 0.000000 35 H 3.779899 2.663804 2.332365 1.742447 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.054886 -1.195949 -0.318351 2 6 0 3.459678 -1.808125 1.014161 3 8 0 2.487186 -2.143538 -1.175090 4 8 0 -0.629266 2.742633 0.419472 5 6 0 0.121631 1.825883 0.250609 6 7 0 1.481374 2.059917 0.129290 7 6 0 2.482564 1.146168 -0.050043 8 8 0 3.637243 1.465396 -0.104040 9 7 0 2.049610 -0.149816 -0.149508 10 6 0 0.709342 -0.475645 -0.032597 11 6 0 -0.266661 0.411243 0.159116 12 1 0 3.903265 -0.720816 -0.782740 13 1 0 3.882741 -1.049265 1.661151 14 1 0 4.211096 -2.577829 0.861806 15 1 0 1.777069 3.010645 0.201410 16 1 0 0.520807 -1.522213 -0.129115 17 6 0 -1.748504 0.104011 0.262208 18 1 0 2.603672 -2.258576 1.504923 19 1 0 3.119524 -2.826013 -1.353757 20 6 0 -2.077127 -1.324929 0.740048 21 6 0 -3.535660 -1.724678 0.424158 22 6 0 -4.453803 -0.506377 0.330251 23 6 0 -4.019776 0.419723 -0.822129 24 6 0 -2.494349 0.399122 -1.049954 25 1 0 -2.132801 0.797113 1.002497 26 1 0 -1.423046 -2.052710 0.271513 27 1 0 -1.892144 -1.388619 1.808735 28 1 0 -3.569534 -2.258063 -0.522785 29 1 0 -3.896268 -2.419466 1.176466 30 1 0 -5.483693 -0.820077 0.188965 31 1 0 -4.428208 0.034572 1.272886 32 1 0 -4.521191 0.123282 -1.739197 33 1 0 -4.341999 1.434344 -0.609394 34 1 0 -2.228573 -0.363923 -1.778775 35 1 0 -2.172240 1.348315 -1.460670 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8141005 0.2822371 0.2279283 Standard basis: 6-31G(d) (6D, 7F) There are 291 symmetry adapted cartesian basis functions of A symmetry. There are 291 symmetry adapted basis functions of A symmetry. 291 basis functions, 548 primitive gaussians, 291 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1277.0611185898 Hartrees. NAtoms= 35 NActive= 35 NUniq= 35 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= 291 RedAO= T EigKep= 8.34D-04 NBF= 291 NBsUse= 291 1.00D-06 EigRej= -1.00D+00 NBFU= 291 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000007 -0.000001 0.000009 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) = -798.431371302 A.U. after 6 cycles NFock= 6 Conv=0.85D-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 0.000000844 -0.000004348 0.000004564 2 6 0.000001479 0.000001238 0.000000563 3 8 0.000000406 0.000010898 -0.000009411 4 8 0.000002416 0.000001254 0.000000871 5 6 0.000000037 -0.000002969 0.000003188 6 7 -0.000001134 -0.000000373 -0.000003772 7 6 0.000002292 0.000002330 0.000002438 8 8 -0.000000416 -0.000004153 -0.000000335 9 7 -0.000002133 -0.000003344 -0.000002039 10 6 0.000001863 -0.000000892 0.000000884 11 6 -0.000001592 0.000004286 -0.000002307 12 1 -0.000001104 0.000002618 -0.000002575 13 1 0.000000431 -0.000000271 0.000000481 14 1 0.000000656 0.000000335 0.000000056 15 1 0.000000259 -0.000000330 0.000000267 16 1 0.000000516 0.000003020 0.000000368 17 6 0.000003835 0.000003344 0.000001326 18 1 -0.000000234 0.000000206 -0.000000106 19 1 0.000000143 -0.000005392 0.000006900 20 6 -0.000000778 -0.000002199 -0.000004280 21 6 -0.000003010 -0.000001762 0.000001282 22 6 -0.000000289 -0.000000936 -0.000000663 23 6 0.000000459 -0.000004224 -0.000002547 24 6 0.000001307 -0.000001457 -0.000000546 25 1 -0.000000236 0.000000340 0.000000402 26 1 -0.000001638 0.000000818 0.000000634 27 1 0.000000142 0.000001838 -0.000000075 28 1 -0.000002210 -0.000000220 0.000000779 29 1 -0.000001412 0.000001099 -0.000000720 30 1 -0.000000711 0.000000518 0.000000445 31 1 0.000000985 -0.000001247 0.000001458 32 1 -0.000000598 -0.000000486 -0.000000823 33 1 -0.000000365 -0.000001658 0.000000519 34 1 -0.000001470 0.000002136 0.000000250 35 1 0.000001260 -0.000000019 0.000002520 ------------------------------------------------------------------- Cartesian Forces: Max 0.000010898 RMS 0.000002429 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000007704 RMS 0.000001747 Search for a local minimum. Step number 26 out of a maximum of 210 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 18 19 20 21 22 23 24 25 26 DE= -7.82D-08 DEPred=-5.24D-08 R= 1.49D+00 Trust test= 1.49D+00 RLast= 8.04D-03 DXMaxT set to 7.50D-01 ITU= 0 -1 0 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 0 Eigenvalues --- 0.00108 0.00228 0.00416 0.00442 0.00511 Eigenvalues --- 0.00617 0.01004 0.01444 0.01568 0.01653 Eigenvalues --- 0.01882 0.01909 0.01942 0.02013 0.02275 Eigenvalues --- 0.02556 0.03577 0.03656 0.04018 0.04436 Eigenvalues --- 0.04628 0.04741 0.04856 0.04941 0.05152 Eigenvalues --- 0.05235 0.05355 0.05391 0.05642 0.05729 Eigenvalues --- 0.05822 0.06205 0.06669 0.07026 0.08021 Eigenvalues --- 0.08088 0.08236 0.08296 0.08429 0.08939 Eigenvalues --- 0.08949 0.09760 0.12052 0.12429 0.15553 Eigenvalues --- 0.15940 0.15990 0.16047 0.16090 0.16146 Eigenvalues --- 0.16314 0.18599 0.19275 0.19998 0.20739 Eigenvalues --- 0.21243 0.22528 0.23864 0.24817 0.24985 Eigenvalues --- 0.25139 0.25659 0.26691 0.27109 0.28057 Eigenvalues --- 0.28618 0.29367 0.29957 0.30132 0.31139 Eigenvalues --- 0.31413 0.34638 0.34722 0.34768 0.34794 Eigenvalues --- 0.34800 0.34811 0.34824 0.34830 0.34836 Eigenvalues --- 0.34846 0.34911 0.34955 0.34962 0.35109 Eigenvalues --- 0.35639 0.36098 0.37924 0.39350 0.41171 Eigenvalues --- 0.43880 0.45135 0.47749 0.49736 0.52207 Eigenvalues --- 0.56708 0.60395 0.87764 0.96619 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 19 18 17 RFO step: Lambda=-2.34092130D-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: 1.70120 -0.19658 -0.50462 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00028706 RMS(Int)= 0.00000006 Iteration 2 RMS(Cart)= 0.00000007 RMS(Int)= 0.00000002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87475 0.00000 0.00001 0.00000 0.00001 2.87475 R2 2.64170 -0.00000 0.00000 -0.00001 -0.00000 2.64170 R3 2.76022 -0.00000 -0.00002 0.00000 -0.00002 2.76020 R4 2.03631 0.00000 -0.00000 0.00000 0.00000 2.03632 R5 2.04706 0.00000 0.00000 -0.00000 0.00000 2.04706 R6 2.05301 0.00000 0.00000 0.00000 0.00000 2.05302 R7 2.04972 0.00000 0.00000 0.00000 0.00000 2.04972 R8 1.79031 0.00000 0.00000 0.00001 0.00001 1.79031 R9 2.26199 -0.00000 -0.00000 0.00000 -0.00000 2.26199 R10 2.61739 0.00000 -0.00000 0.00000 0.00000 2.61739 R11 2.77754 0.00000 0.00000 -0.00000 0.00000 2.77754 R12 2.58380 -0.00000 0.00001 -0.00001 0.00000 2.58380 R13 1.88644 -0.00000 -0.00000 0.00000 0.00000 1.88644 R14 2.26618 -0.00000 -0.00000 -0.00000 -0.00000 2.26617 R15 2.58894 -0.00000 -0.00000 -0.00000 -0.00001 2.58893 R16 2.61585 0.00000 0.00001 -0.00000 0.00001 2.61586 R17 2.51831 0.00000 -0.00000 0.00001 0.00000 2.51831 R18 2.01782 -0.00000 0.00000 -0.00000 -0.00000 2.01782 R19 2.86646 0.00001 -0.00001 0.00002 0.00002 2.86648 R20 2.91422 0.00000 0.00001 0.00000 0.00001 2.91423 R21 2.90621 0.00000 0.00000 -0.00001 -0.00000 2.90621 R22 2.04938 0.00000 -0.00000 0.00000 -0.00000 2.04937 R23 2.91955 0.00000 0.00001 0.00000 0.00002 2.91957 R24 2.05017 -0.00000 0.00000 -0.00000 -0.00000 2.05016 R25 2.05309 -0.00000 0.00000 -0.00000 0.00000 2.05309 R26 2.88829 -0.00000 -0.00000 -0.00001 -0.00001 2.88828 R27 2.05481 -0.00000 0.00000 -0.00000 -0.00000 2.05481 R28 2.05167 -0.00000 -0.00000 0.00000 -0.00000 2.05166 R29 2.91166 0.00000 -0.00002 -0.00000 -0.00002 2.91164 R30 2.05193 0.00000 -0.00000 0.00000 0.00000 2.05193 R31 2.05437 0.00000 0.00000 -0.00000 0.00000 2.05437 R32 2.91487 0.00000 0.00003 0.00001 0.00004 2.91491 R33 2.05304 0.00000 0.00000 0.00000 0.00000 2.05304 R34 2.05150 -0.00000 -0.00000 -0.00000 -0.00000 2.05149 R35 2.05629 -0.00000 -0.00000 -0.00001 -0.00001 2.05628 R36 2.04703 -0.00000 0.00000 0.00000 0.00000 2.04703 A1 1.95207 0.00000 0.00001 0.00002 0.00003 1.95210 A2 1.94991 -0.00000 0.00002 -0.00001 0.00002 1.94993 A3 1.92350 -0.00000 -0.00001 0.00001 -0.00000 1.92349 A4 1.85129 -0.00000 -0.00002 -0.00000 -0.00002 1.85127 A5 1.93317 -0.00000 -0.00000 -0.00000 -0.00001 1.93316 A6 1.85030 -0.00000 -0.00000 -0.00001 -0.00001 1.85028 A7 1.92322 0.00000 -0.00000 0.00000 -0.00000 1.92322 A8 1.92443 -0.00000 0.00000 0.00000 0.00000 1.92443 A9 1.93204 -0.00000 0.00002 -0.00000 0.00001 1.93206 A10 1.88594 -0.00000 -0.00001 -0.00000 -0.00001 1.88593 A11 1.90594 -0.00000 -0.00001 0.00000 -0.00000 1.90594 A12 1.89133 0.00000 -0.00000 0.00000 0.00000 1.89133 A13 1.91010 -0.00000 -0.00000 -0.00001 -0.00001 1.91010 A14 2.09301 -0.00000 -0.00000 -0.00001 -0.00001 2.09300 A15 2.18975 0.00000 0.00000 0.00000 0.00001 2.18976 A16 2.00042 0.00000 -0.00000 0.00001 0.00000 2.00042 A17 2.23626 0.00000 -0.00000 0.00001 0.00000 2.23626 A18 2.03241 -0.00000 -0.00000 -0.00000 -0.00000 2.03240 A19 2.01424 -0.00000 -0.00001 0.00000 -0.00001 2.01423 A20 2.13301 0.00000 -0.00001 0.00002 0.00001 2.13302 A21 1.99358 -0.00000 0.00000 -0.00001 -0.00001 1.99357 A22 2.15656 -0.00000 0.00001 -0.00002 -0.00001 2.15655 A23 2.05828 -0.00001 0.00002 -0.00003 -0.00001 2.05827 A24 2.10314 0.00001 -0.00002 0.00003 0.00001 2.10314 A25 2.12059 0.00000 -0.00001 0.00001 -0.00000 2.12059 A26 2.17076 0.00000 0.00000 0.00001 0.00001 2.17077 A27 1.97581 -0.00000 -0.00001 -0.00000 -0.00001 1.97580 A28 2.13647 -0.00000 0.00000 -0.00000 -0.00000 2.13646 A29 2.04430 -0.00000 0.00000 -0.00001 -0.00001 2.04429 A30 2.03621 0.00000 0.00002 0.00000 0.00003 2.03623 A31 2.20242 0.00000 -0.00003 0.00001 -0.00001 2.20241 A32 2.00084 0.00000 -0.00002 0.00002 0.00000 2.00084 A33 1.95727 0.00000 -0.00003 0.00001 -0.00002 1.95725 A34 1.83706 -0.00000 -0.00001 0.00001 -0.00001 1.83705 A35 1.91647 -0.00000 0.00005 -0.00002 0.00002 1.91649 A36 1.88091 -0.00000 0.00001 -0.00001 -0.00000 1.88091 A37 1.86286 0.00000 0.00001 -0.00001 0.00001 1.86286 A38 1.95797 0.00000 0.00006 -0.00001 0.00005 1.95802 A39 1.93831 -0.00000 -0.00002 0.00002 0.00000 1.93831 A40 1.89951 -0.00000 -0.00003 -0.00001 -0.00004 1.89947 A41 1.88314 -0.00000 0.00000 0.00001 0.00001 1.88315 A42 1.92484 -0.00000 -0.00001 -0.00001 -0.00002 1.92482 A43 1.85754 0.00000 -0.00001 0.00001 -0.00001 1.85754 A44 1.95350 -0.00000 0.00002 -0.00001 0.00000 1.95350 A45 1.91176 0.00000 0.00003 -0.00001 0.00001 1.91177 A46 1.91502 0.00000 -0.00001 0.00002 0.00000 1.91503 A47 1.89524 -0.00000 -0.00001 -0.00001 -0.00002 1.89522 A48 1.93173 -0.00000 -0.00003 0.00002 -0.00001 1.93173 A49 1.85374 -0.00000 0.00000 0.00000 0.00000 1.85374 A50 1.93461 -0.00000 0.00003 -0.00004 -0.00001 1.93460 A51 1.92567 -0.00000 -0.00001 0.00003 0.00001 1.92569 A52 1.90627 -0.00000 -0.00000 -0.00001 -0.00001 1.90626 A53 1.92145 0.00000 -0.00001 0.00000 -0.00001 1.92144 A54 1.92069 0.00000 -0.00000 0.00002 0.00001 1.92070 A55 1.85346 -0.00000 0.00001 -0.00000 0.00000 1.85346 A56 1.96169 0.00000 0.00005 -0.00001 0.00004 1.96173 A57 1.91486 -0.00000 -0.00002 -0.00000 -0.00002 1.91484 A58 1.90878 -0.00000 -0.00002 0.00001 -0.00001 1.90876 A59 1.90509 0.00000 -0.00001 -0.00000 -0.00001 1.90508 A60 1.91236 -0.00000 -0.00000 0.00002 0.00002 1.91237 A61 1.85818 0.00000 -0.00000 -0.00001 -0.00001 1.85817 A62 1.93495 0.00000 0.00007 -0.00000 0.00007 1.93501 A63 1.89490 0.00000 -0.00000 0.00001 0.00000 1.89490 A64 1.92563 -0.00000 -0.00004 -0.00002 -0.00006 1.92557 A65 1.92820 -0.00000 -0.00002 0.00000 -0.00002 1.92818 A66 1.91598 0.00000 -0.00001 0.00001 0.00000 1.91598 A67 1.86281 0.00000 -0.00000 -0.00000 -0.00000 1.86280 D1 -3.12773 0.00000 -0.00000 0.00001 0.00001 -3.12772 D2 1.07509 0.00000 0.00001 0.00001 0.00003 1.07512 D3 -1.01758 0.00000 0.00000 0.00001 0.00001 -1.01756 D4 -1.05541 0.00000 -0.00000 0.00002 0.00001 -1.05540 D5 -3.13578 0.00000 0.00001 0.00002 0.00003 -3.13575 D6 1.05474 0.00000 0.00000 0.00001 0.00002 1.05476 D7 0.99686 -0.00000 0.00000 -0.00000 0.00000 0.99686 D8 -1.08351 -0.00000 0.00002 0.00000 0.00002 -1.08349 D9 3.10701 -0.00000 0.00001 -0.00000 0.00001 3.10701 D10 -1.06228 0.00000 0.00063 0.00024 0.00087 -1.06141 D11 3.09098 0.00000 0.00060 0.00024 0.00085 3.09183 D12 1.09087 0.00001 0.00062 0.00026 0.00088 1.09175 D13 1.64351 -0.00000 0.00003 -0.00000 0.00003 1.64354 D14 -1.44691 -0.00000 0.00031 -0.00007 0.00024 -1.44667 D15 -2.50837 0.00000 0.00005 0.00002 0.00006 -2.50831 D16 0.68439 0.00000 0.00032 -0.00005 0.00027 0.68466 D17 -0.45226 -0.00000 0.00003 0.00000 0.00004 -0.45222 D18 2.74050 -0.00000 0.00031 -0.00006 0.00025 2.74075 D19 3.12709 -0.00000 -0.00044 0.00012 -0.00032 3.12676 D20 0.01204 0.00000 0.00026 -0.00007 0.00019 0.01222 D21 -0.01071 -0.00000 -0.00047 0.00012 -0.00036 -0.01107 D22 -3.12576 -0.00000 0.00023 -0.00008 0.00015 -3.12561 D23 3.14070 0.00000 0.00014 -0.00005 0.00010 3.14079 D24 0.02174 0.00000 0.00016 -0.00006 0.00010 0.02184 D25 -0.00493 0.00000 0.00018 -0.00004 0.00014 -0.00480 D26 -3.12389 0.00000 0.00019 -0.00005 0.00014 -3.12375 D27 -3.10344 0.00000 0.00047 -0.00011 0.00036 -3.10308 D28 0.02926 0.00000 0.00053 -0.00014 0.00039 0.02964 D29 0.01184 -0.00000 -0.00023 0.00008 -0.00014 0.01170 D30 -3.13865 -0.00000 -0.00017 0.00005 -0.00011 -3.13876 D31 -3.12263 0.00000 -0.00002 0.00003 0.00001 -3.12262 D32 -0.03274 -0.00000 -0.00030 0.00010 -0.00020 -0.03295 D33 0.00993 0.00000 0.00004 -0.00000 0.00004 0.00997 D34 3.09981 0.00000 -0.00024 0.00006 -0.00018 3.09964 D35 3.10919 -0.00000 -0.00022 0.00003 -0.00019 3.10901 D36 -0.05064 -0.00000 -0.00026 0.00006 -0.00020 -0.05084 D37 0.02063 0.00000 0.00007 -0.00004 0.00003 0.02066 D38 -3.13921 0.00000 0.00003 -0.00000 0.00002 -3.13919 D39 -0.00015 -0.00000 -0.00000 0.00001 0.00001 -0.00014 D40 3.11637 0.00000 -0.00002 0.00002 0.00000 3.11638 D41 -3.12188 -0.00000 0.00005 -0.00003 0.00002 -3.12187 D42 -0.00536 0.00000 0.00003 -0.00002 0.00001 -0.00535 D43 -2.72172 0.00000 0.00025 0.00002 0.00027 -2.72145 D44 1.36071 0.00000 0.00023 0.00003 0.00026 1.36097 D45 -0.65812 0.00000 0.00024 0.00002 0.00026 -0.65785 D46 0.44484 -0.00000 0.00027 0.00001 0.00027 0.44511 D47 -1.75592 0.00000 0.00025 0.00001 0.00026 -1.75565 D48 2.50844 0.00000 0.00025 0.00001 0.00027 2.50871 D49 -2.83872 -0.00000 -0.00010 -0.00004 -0.00014 -2.83886 D50 -0.72973 0.00000 -0.00006 -0.00002 -0.00008 -0.72982 D51 1.30955 -0.00000 -0.00011 -0.00001 -0.00011 1.30944 D52 -0.61698 0.00000 -0.00012 -0.00003 -0.00014 -0.61712 D53 1.49201 0.00000 -0.00008 -0.00001 -0.00009 1.49192 D54 -2.75189 0.00000 -0.00012 0.00000 -0.00012 -2.75201 D55 1.40582 -0.00000 -0.00007 -0.00005 -0.00013 1.40569 D56 -2.76838 -0.00000 -0.00004 -0.00004 -0.00008 -2.76845 D57 -0.72909 -0.00000 -0.00008 -0.00003 -0.00011 -0.72920 D58 -2.89440 -0.00000 -0.00026 0.00005 -0.00021 -2.89461 D59 1.26763 0.00000 -0.00028 0.00005 -0.00023 1.26739 D60 -0.76808 0.00000 -0.00025 0.00005 -0.00020 -0.76828 D61 1.14291 -0.00000 -0.00025 0.00003 -0.00021 1.14269 D62 -0.97825 -0.00000 -0.00027 0.00003 -0.00024 -0.97849 D63 -3.01396 -0.00000 -0.00024 0.00003 -0.00020 -3.01416 D64 -0.89127 -0.00000 -0.00028 0.00006 -0.00022 -0.89150 D65 -3.01243 0.00000 -0.00030 0.00006 -0.00025 -3.01268 D66 1.23505 0.00000 -0.00028 0.00006 -0.00021 1.23484 D67 -0.45761 0.00000 0.00026 -0.00002 0.00024 -0.45737 D68 1.64542 0.00000 0.00029 -0.00006 0.00023 1.64565 D69 -2.60925 0.00000 0.00030 -0.00005 0.00024 -2.60901 D70 -2.59815 -0.00000 0.00024 -0.00005 0.00019 -2.59796 D71 -0.49512 -0.00000 0.00026 -0.00008 0.00019 -0.49493 D72 1.53340 0.00000 0.00028 -0.00008 0.00020 1.53360 D73 1.66284 -0.00000 0.00026 -0.00006 0.00021 1.66305 D74 -2.51731 -0.00000 0.00029 -0.00009 0.00020 -2.51711 D75 -0.48879 0.00000 0.00030 -0.00009 0.00021 -0.48858 D76 1.08940 -0.00000 -0.00010 0.00008 -0.00003 1.08937 D77 -3.06075 -0.00000 -0.00011 0.00008 -0.00004 -3.06078 D78 -1.02967 -0.00000 -0.00012 0.00008 -0.00003 -1.02970 D79 -1.02322 -0.00000 -0.00015 0.00011 -0.00004 -1.02326 D80 1.10982 -0.00000 -0.00015 0.00011 -0.00004 1.10977 D81 3.14090 -0.00000 -0.00016 0.00012 -0.00004 3.14086 D82 -3.05162 -0.00000 -0.00013 0.00010 -0.00002 -3.05164 D83 -0.91857 0.00000 -0.00014 0.00010 -0.00003 -0.91861 D84 1.11250 0.00000 -0.00014 0.00011 -0.00003 1.11248 D85 -0.56185 -0.00000 -0.00026 -0.00007 -0.00033 -0.56218 D86 1.56123 -0.00000 -0.00025 -0.00009 -0.00033 1.56090 D87 -2.68989 -0.00000 -0.00027 -0.00009 -0.00036 -2.69025 D88 -2.69735 -0.00000 -0.00025 -0.00008 -0.00033 -2.69769 D89 -0.57427 0.00000 -0.00024 -0.00010 -0.00034 -0.57461 D90 1.45779 -0.00000 -0.00026 -0.00011 -0.00037 1.45742 D91 1.54871 -0.00000 -0.00025 -0.00009 -0.00034 1.54838 D92 -2.61139 -0.00000 -0.00023 -0.00011 -0.00034 -2.61173 D93 -0.57933 -0.00000 -0.00026 -0.00011 -0.00037 -0.57970 D94 -0.51340 0.00000 0.00039 0.00002 0.00041 -0.51299 D95 1.58808 0.00000 0.00042 0.00003 0.00045 1.58853 D96 -2.64537 0.00000 0.00040 0.00004 0.00044 -2.64493 D97 -2.64204 -0.00000 0.00039 0.00004 0.00042 -2.64162 D98 -0.54056 0.00000 0.00042 0.00004 0.00046 -0.54010 D99 1.50918 0.00000 0.00040 0.00005 0.00045 1.50963 D100 1.61260 -0.00000 0.00039 0.00003 0.00043 1.61303 D101 -2.56910 -0.00000 0.00042 0.00004 0.00046 -2.56863 D102 -0.51936 0.00000 0.00040 0.00005 0.00045 -0.51891 Item Value Threshold Converged? Maximum Force 0.000008 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.001446 0.001800 YES RMS Displacement 0.000287 0.001200 YES Predicted change in Energy=-1.168705D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5213 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3979 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4606 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0776 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0833 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0864 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0847 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9474 -DE/DX = 0.0 ! ! R9 R(4,5) 1.197 -DE/DX = 0.0 ! ! R10 R(5,6) 1.3851 -DE/DX = 0.0 ! ! R11 R(5,11) 1.4698 -DE/DX = 0.0 ! ! R12 R(6,7) 1.3673 -DE/DX = 0.0 ! ! R13 R(6,15) 0.9983 -DE/DX = 0.0 ! ! R14 R(7,8) 1.1992 -DE/DX = 0.0 ! ! R15 R(7,9) 1.37 -DE/DX = 0.0 ! ! R16 R(9,10) 1.3843 -DE/DX = 0.0 ! ! R17 R(10,11) 1.3326 -DE/DX = 0.0 ! ! R18 R(10,16) 1.0678 -DE/DX = 0.0 ! ! R19 R(11,17) 1.5169 -DE/DX = 0.0 ! ! R20 R(17,20) 1.5421 -DE/DX = 0.0 ! ! R21 R(17,24) 1.5379 -DE/DX = 0.0 ! ! R22 R(17,25) 1.0845 -DE/DX = 0.0 ! ! R23 R(20,21) 1.545 -DE/DX = 0.0 ! ! R24 R(20,26) 1.0849 -DE/DX = 0.0 ! ! R25 R(20,27) 1.0864 -DE/DX = 0.0 ! ! R26 R(21,22) 1.5284 -DE/DX = 0.0 ! ! R27 R(21,28) 1.0874 -DE/DX = 0.0 ! ! R28 R(21,29) 1.0857 -DE/DX = 0.0 ! ! R29 R(22,23) 1.5408 -DE/DX = 0.0 ! ! R30 R(22,30) 1.0858 -DE/DX = 0.0 ! ! R31 R(22,31) 1.0871 -DE/DX = 0.0 ! ! R32 R(23,24) 1.5425 -DE/DX = 0.0 ! ! R33 R(23,32) 1.0864 -DE/DX = 0.0 ! ! R34 R(23,33) 1.0856 -DE/DX = 0.0 ! ! R35 R(24,34) 1.0881 -DE/DX = 0.0 ! ! R36 R(24,35) 1.0832 -DE/DX = 0.0 ! ! A1 A(2,1,3) 111.8456 -DE/DX = 0.0 ! ! A2 A(2,1,9) 111.7217 -DE/DX = 0.0 ! ! A3 A(2,1,12) 110.2082 -DE/DX = 0.0 ! ! A4 A(3,1,9) 106.0714 -DE/DX = 0.0 ! ! A5 A(3,1,12) 110.7623 -DE/DX = 0.0 ! ! A6 A(9,1,12) 106.0141 -DE/DX = 0.0 ! ! A7 A(1,2,13) 110.1926 -DE/DX = 0.0 ! ! A8 A(1,2,14) 110.2618 -DE/DX = 0.0 ! ! A9 A(1,2,18) 110.698 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.0565 -DE/DX = 0.0 ! ! A11 A(13,2,18) 109.2023 -DE/DX = 0.0 ! ! A12 A(14,2,18) 108.365 -DE/DX = 0.0 ! ! A13 A(1,3,19) 109.4409 -DE/DX = 0.0 ! ! A14 A(4,5,6) 119.9206 -DE/DX = 0.0 ! ! A15 A(4,5,11) 125.4637 -DE/DX = 0.0 ! ! A16 A(6,5,11) 114.6153 -DE/DX = 0.0 ! ! A17 A(5,6,7) 128.1285 -DE/DX = 0.0 ! ! A18 A(5,6,15) 116.4485 -DE/DX = 0.0 ! ! A19 A(7,6,15) 115.4073 -DE/DX = 0.0 ! ! A20 A(6,7,8) 122.2125 -DE/DX = 0.0 ! ! A21 A(6,7,9) 114.2237 -DE/DX = 0.0 ! ! A22 A(8,7,9) 123.5617 -DE/DX = 0.0 ! ! A23 A(1,9,7) 117.931 -DE/DX = 0.0 ! ! A24 A(1,9,10) 120.5009 -DE/DX = 0.0 ! ! A25 A(7,9,10) 121.5011 -DE/DX = 0.0 ! ! A26 A(9,10,11) 124.3757 -DE/DX = 0.0 ! ! A27 A(9,10,16) 113.2053 -DE/DX = 0.0 ! ! A28 A(11,10,16) 122.4104 -DE/DX = 0.0 ! ! A29 A(5,11,10) 117.1299 -DE/DX = 0.0 ! ! A30 A(5,11,17) 116.666 -DE/DX = 0.0 ! ! A31 A(10,11,17) 126.1896 -DE/DX = 0.0 ! ! A32 A(11,17,20) 114.6397 -DE/DX = 0.0 ! ! A33 A(11,17,24) 112.1433 -DE/DX = 0.0 ! ! A34 A(11,17,25) 105.2555 -DE/DX = 0.0 ! ! A35 A(20,17,24) 109.8058 -DE/DX = 0.0 ! ! A36 A(20,17,25) 107.7684 -DE/DX = 0.0 ! ! A37 A(24,17,25) 106.7338 -DE/DX = 0.0 ! ! A38 A(17,20,21) 112.1833 -DE/DX = 0.0 ! ! A39 A(17,20,26) 111.0569 -DE/DX = 0.0 ! ! A40 A(17,20,27) 108.834 -DE/DX = 0.0 ! ! A41 A(21,20,26) 107.8961 -DE/DX = 0.0 ! ! A42 A(21,20,27) 110.2852 -DE/DX = 0.0 ! ! A43 A(26,20,27) 106.4293 -DE/DX = 0.0 ! ! A44 A(20,21,22) 111.9272 -DE/DX = 0.0 ! ! A45 A(20,21,28) 109.5356 -DE/DX = 0.0 ! ! A46 A(20,21,29) 109.7227 -DE/DX = 0.0 ! ! A47 A(22,21,28) 108.5893 -DE/DX = 0.0 ! ! A48 A(22,21,29) 110.6801 -DE/DX = 0.0 ! ! A49 A(28,21,29) 106.2115 -DE/DX = 0.0 ! ! A50 A(21,22,23) 110.8448 -DE/DX = 0.0 ! ! A51 A(21,22,30) 110.3329 -DE/DX = 0.0 ! ! A52 A(21,22,31) 109.2211 -DE/DX = 0.0 ! ! A53 A(23,22,30) 110.0907 -DE/DX = 0.0 ! ! A54 A(23,22,31) 110.0473 -DE/DX = 0.0 ! ! A55 A(30,22,31) 106.1952 -DE/DX = 0.0 ! ! A56 A(22,23,24) 112.3967 -DE/DX = 0.0 ! ! A57 A(22,23,32) 109.7135 -DE/DX = 0.0 ! ! A58 A(22,23,33) 109.365 -DE/DX = 0.0 ! ! A59 A(24,23,32) 109.1538 -DE/DX = 0.0 ! ! A60 A(24,23,33) 109.5699 -DE/DX = 0.0 ! ! A61 A(32,23,33) 106.4659 -DE/DX = 0.0 ! ! A62 A(17,24,23) 110.8643 -DE/DX = 0.0 ! ! A63 A(17,24,34) 108.5695 -DE/DX = 0.0 ! ! A64 A(17,24,35) 110.3306 -DE/DX = 0.0 ! ! A65 A(23,24,34) 110.4775 -DE/DX = 0.0 ! ! A66 A(23,24,35) 109.7774 -DE/DX = 0.0 ! ! A67 A(34,24,35) 106.731 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) -179.2056 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) 61.598 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -58.3029 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -60.4705 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -179.6668 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 60.4322 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) 57.1157 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) -62.0807 -DE/DX = 0.0 ! ! D9 D(12,1,2,18) 178.0184 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) -60.8641 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) 177.1003 -DE/DX = 0.0 ! ! D12 D(12,1,3,19) 62.5021 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 94.1663 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -82.9019 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -143.7192 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 39.2126 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -25.9124 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 157.0193 -DE/DX = 0.0 ! ! D19 D(4,5,6,7) 179.1688 -DE/DX = 0.0 ! ! D20 D(4,5,6,15) 0.6897 -DE/DX = 0.0 ! ! D21 D(11,5,6,7) -0.6138 -DE/DX = 0.0 ! ! D22 D(11,5,6,15) -179.0929 -DE/DX = 0.0 ! ! D23 D(4,5,11,10) 179.9486 -DE/DX = 0.0 ! ! D24 D(4,5,11,17) 1.2458 -DE/DX = 0.0 ! ! D25 D(6,5,11,10) -0.2827 -DE/DX = 0.0 ! ! D26 D(6,5,11,17) -178.9855 -DE/DX = 0.0 ! ! D27 D(5,6,7,8) -177.8139 -DE/DX = 0.0 ! ! D28 D(5,6,7,9) 1.6763 -DE/DX = 0.0 ! ! D29 D(15,6,7,8) 0.6785 -DE/DX = 0.0 ! ! D30 D(15,6,7,9) -179.8312 -DE/DX = 0.0 ! ! D31 D(6,7,9,1) -178.9134 -DE/DX = 0.0 ! ! D32 D(6,7,9,10) -1.8761 -DE/DX = 0.0 ! ! D33 D(8,7,9,1) 0.569 -DE/DX = 0.0 ! ! D34 D(8,7,9,10) 177.6063 -DE/DX = 0.0 ! ! D35 D(1,9,10,11) 178.1437 -DE/DX = 0.0 ! ! D36 D(1,9,10,16) -2.9015 -DE/DX = 0.0 ! ! D37 D(7,9,10,11) 1.1817 -DE/DX = 0.0 ! ! D38 D(7,9,10,16) -179.8634 -DE/DX = 0.0 ! ! D39 D(9,10,11,5) -0.0086 -DE/DX = 0.0 ! ! D40 D(9,10,11,17) 178.5551 -DE/DX = 0.0 ! ! D41 D(16,10,11,5) -178.8707 -DE/DX = 0.0 ! ! D42 D(16,10,11,17) -0.3071 -DE/DX = 0.0 ! ! D43 D(5,11,17,20) -155.9431 -DE/DX = 0.0 ! ! D44 D(5,11,17,24) 77.963 -DE/DX = 0.0 ! ! D45 D(5,11,17,25) -37.7074 -DE/DX = 0.0 ! ! D46 D(10,11,17,20) 25.4874 -DE/DX = 0.0 ! ! D47 D(10,11,17,24) -100.6065 -DE/DX = 0.0 ! ! D48 D(10,11,17,25) 143.7231 -DE/DX = 0.0 ! ! D49 D(11,17,20,21) -162.6469 -DE/DX = 0.0 ! ! D50 D(11,17,20,26) -41.8105 -DE/DX = 0.0 ! ! D51 D(11,17,20,27) 75.0317 -DE/DX = 0.0 ! ! D52 D(24,17,20,21) -35.3504 -DE/DX = 0.0 ! ! D53 D(24,17,20,26) 85.486 -DE/DX = 0.0 ! ! D54 D(24,17,20,27) -157.6718 -DE/DX = 0.0 ! ! D55 D(25,17,20,21) 80.5473 -DE/DX = 0.0 ! ! D56 D(25,17,20,26) -158.6163 -DE/DX = 0.0 ! ! D57 D(25,17,20,27) -41.7741 -DE/DX = 0.0 ! ! D58 D(11,17,24,23) -165.8369 -DE/DX = 0.0 ! ! D59 D(11,17,24,34) 72.6296 -DE/DX = 0.0 ! ! D60 D(11,17,24,35) -44.0076 -DE/DX = 0.0 ! ! D61 D(20,17,24,23) 65.4837 -DE/DX = 0.0 ! ! D62 D(20,17,24,34) -56.0498 -DE/DX = 0.0 ! ! D63 D(20,17,24,35) -172.687 -DE/DX = 0.0 ! ! D64 D(25,17,24,23) -51.0663 -DE/DX = 0.0 ! ! D65 D(25,17,24,34) -172.5997 -DE/DX = 0.0 ! ! D66 D(25,17,24,35) 70.7631 -DE/DX = 0.0 ! ! D67 D(17,20,21,22) -26.2193 -DE/DX = 0.0 ! ! D68 D(17,20,21,28) 94.2758 -DE/DX = 0.0 ! ! D69 D(17,20,21,29) -149.499 -DE/DX = 0.0 ! ! D70 D(26,20,21,22) -148.8631 -DE/DX = 0.0 ! ! D71 D(26,20,21,28) -28.368 -DE/DX = 0.0 ! ! D72 D(26,20,21,29) 87.8572 -DE/DX = 0.0 ! ! D73 D(27,20,21,22) 95.274 -DE/DX = 0.0 ! ! D74 D(27,20,21,28) -144.231 -DE/DX = 0.0 ! ! D75 D(27,20,21,29) -28.0058 -DE/DX = 0.0 ! ! D76 D(20,21,22,23) 62.4179 -DE/DX = 0.0 ! ! D77 D(20,21,22,30) -175.3679 -DE/DX = 0.0 ! ! D78 D(20,21,22,31) -58.9956 -DE/DX = 0.0 ! ! D79 D(28,21,22,23) -58.6264 -DE/DX = 0.0 ! ! D80 D(28,21,22,30) 63.5879 -DE/DX = 0.0 ! ! D81 D(28,21,22,31) 179.9601 -DE/DX = 0.0 ! ! D82 D(29,21,22,23) -174.8447 -DE/DX = 0.0 ! ! D83 D(29,21,22,30) -52.6305 -DE/DX = 0.0 ! ! D84 D(29,21,22,31) 63.7418 -DE/DX = 0.0 ! ! D85 D(21,22,23,24) -32.1916 -DE/DX = 0.0 ! ! D86 D(21,22,23,32) 89.4519 -DE/DX = 0.0 ! ! D87 D(21,22,23,33) -154.1194 -DE/DX = 0.0 ! ! D88 D(30,22,23,24) -154.547 -DE/DX = 0.0 ! ! D89 D(30,22,23,32) -32.9035 -DE/DX = 0.0 ! ! D90 D(30,22,23,33) 83.5252 -DE/DX = 0.0 ! ! D91 D(31,22,23,24) 88.7347 -DE/DX = 0.0 ! ! D92 D(31,22,23,32) -149.6219 -DE/DX = 0.0 ! ! D93 D(31,22,23,33) -33.1932 -DE/DX = 0.0 ! ! D94 D(22,23,24,17) -29.4159 -DE/DX = 0.0 ! ! D95 D(22,23,24,34) 90.9902 -DE/DX = 0.0 ! ! D96 D(22,23,24,35) -151.5686 -DE/DX = 0.0 ! ! D97 D(32,23,24,17) -151.3778 -DE/DX = 0.0 ! ! D98 D(32,23,24,34) -30.9717 -DE/DX = 0.0 ! ! D99 D(32,23,24,35) 86.4695 -DE/DX = 0.0 ! ! D100 D(33,23,24,17) 92.3954 -DE/DX = 0.0 ! ! D101 D(33,23,24,34) -147.1985 -DE/DX = 0.0 ! ! D102 D(33,23,24,35) -29.7572 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.843789 -4.966041 1.583474 2 6 0 7.232481 -5.453205 2.971204 3 8 0 6.483348 -6.023367 0.743026 4 8 0 2.587116 -1.584546 1.859185 5 6 0 3.472465 -2.387206 1.790730 6 7 0 4.789638 -1.961000 1.748318 7 6 0 5.922327 -2.724291 1.686036 8 8 0 7.019894 -2.241164 1.692361 9 7 0 5.688808 -4.072996 1.627885 10 6 0 4.404382 -4.587231 1.672165 11 6 0 3.299492 -3.846233 1.749918 12 1 0 7.647101 -4.391870 1.151994 13 1 0 7.492879 -4.612819 3.603178 14 1 0 8.095976 -6.109765 2.911294 15 1 0 4.939379 -0.974860 1.788664 16 1 0 4.375979 -5.653357 1.619862 17 6 0 1.873706 -4.363545 1.769942 18 1 0 6.416139 -6.002958 3.427116 19 1 0 7.218740 -6.612419 0.644216 20 6 0 1.719460 -5.803076 2.301121 21 6 0 0.361044 -6.426654 1.910273 22 6 0 -0.713228 -5.362116 1.689452 23 6 0 -0.332647 -4.433366 0.520434 24 6 0 1.192538 -4.239021 0.396753 25 1 0 1.339919 -3.702962 2.444334 26 1 0 2.504314 -6.446341 1.917420 27 1 0 1.831929 -5.792143 3.381676 28 1 0 0.474524 -7.000013 0.993359 29 1 0 0.049316 -7.133480 2.673134 30 1 0 -1.673965 -5.829924 1.496630 31 1 0 -0.835645 -4.782690 2.601110 32 1 0 -0.716836 -4.840141 -0.410823 33 1 0 -0.812296 -3.468954 0.656033 34 1 0 1.618572 -4.985671 -0.270378 35 1 0 1.404365 -3.271575 -0.042094 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521251 0.000000 3 O 1.397930 2.418896 0.000000 4 O 5.443325 6.146749 6.010787 0.000000 5 C 4.249608 4.993154 4.835780 1.196992 0.000000 6 N 3.643759 4.433783 4.514653 2.237210 1.385061 7 C 2.425913 3.288637 3.476768 3.528828 2.475159 8 O 2.732732 3.463790 3.936264 4.484250 3.551796 9 N 1.460644 2.468281 2.284341 3.983262 2.789370 10 C 2.470236 3.230411 2.692189 3.514761 2.392204 11 C 3.720714 4.420668 3.986312 2.373741 1.469812 12 H 1.077570 2.146594 2.045325 5.829633 4.674852 13 H 2.150648 1.083258 3.345036 6.023160 4.939843 14 H 2.153876 1.086409 2.703593 7.206391 6.040692 15 H 4.427009 5.168393 5.381879 2.431014 2.036310 16 H 2.561993 3.166353 2.312305 4.451126 3.393122 17 C 5.009940 5.598827 5.005834 2.870497 2.542121 18 H 2.158031 1.084666 2.685009 6.053279 4.941319 19 H 1.932189 2.599776 0.947389 6.943168 5.762073 20 C 5.241602 5.564605 5.017053 4.329449 3.873202 21 C 6.653282 7.020671 6.245615 5.329542 5.100233 22 C 7.568131 8.048942 7.288599 5.019075 5.136183 23 C 7.274272 8.017326 7.002532 4.293372 4.503255 24 C 5.820095 6.677047 5.594325 3.336134 3.251224 25 H 5.712183 6.169541 5.893522 2.526972 2.589627 26 H 4.597156 4.944931 4.170230 4.862848 4.174918 27 H 5.388387 5.426724 5.352723 4.537858 4.100739 28 H 6.712139 7.209332 6.092821 5.877072 5.558907 29 H 7.214569 7.383091 6.808409 6.155778 5.918083 30 H 8.561890 9.035545 8.194334 6.025902 6.198754 31 H 7.748736 8.104395 7.652413 4.742770 4.995485 32 H 7.820238 8.660577 7.387425 5.164100 5.330476 33 H 7.856020 8.603238 7.730396 4.068731 4.562554 34 H 5.544371 6.499417 5.076401 4.128046 3.799619 35 H 5.924611 6.914218 5.829652 2.803539 2.901447 6 7 8 9 10 6 N 0.000000 7 C 1.367289 0.000000 8 O 2.248481 1.199210 0.000000 9 N 2.298595 1.370006 2.265294 0.000000 10 C 2.655431 2.403101 3.513594 1.384250 0.000000 11 C 2.403049 2.853437 4.052278 2.403154 1.332631 12 H 3.798661 2.457817 2.304544 2.040358 3.289980 13 H 4.216653 3.115864 3.082156 2.729078 3.642565 14 H 5.431081 4.205644 4.196407 3.404412 4.181078 15 H 0.998259 2.009285 2.437487 3.191542 3.653631 16 H 3.717676 3.312853 4.317245 2.054538 1.067785 17 C 3.778273 4.368699 5.567205 3.828787 2.542424 18 H 4.669186 3.744979 4.186286 2.736969 3.021804 19 H 5.362394 4.228902 4.499557 3.123614 3.616445 20 C 4.949054 5.246079 6.415014 4.382026 3.013747 21 C 6.291322 6.684732 7.868043 5.831339 4.448455 22 C 6.469357 7.140639 8.339156 6.530826 5.175971 23 C 5.818771 6.588192 7.761380 6.133045 4.877459 24 C 4.467128 5.131039 6.295086 4.664729 3.473308 25 H 3.926758 4.746713 5.913073 4.440310 3.281633 26 H 5.036823 5.058657 6.174514 3.982160 2.669587 27 H 5.108185 5.386861 6.509856 4.572392 3.315382 28 H 6.676962 6.959897 8.122630 6.013220 4.661124 29 H 7.076756 7.409964 8.572376 6.500998 5.143143 30 H 7.537246 8.208806 9.407481 7.570631 6.206562 31 H 6.350826 7.123521 8.306303 6.634706 5.325320 32 H 6.578191 7.276821 8.428230 6.765879 5.534409 33 H 5.903276 6.853509 7.995289 6.601039 5.431096 34 H 4.824875 5.240582 6.368590 4.582925 3.419498 35 H 4.047623 4.868053 5.966930 4.667715 3.697261 11 12 13 14 15 11 C 0.000000 12 H 4.422322 0.000000 13 H 4.648304 2.465949 0.000000 14 H 5.429422 2.499557 1.755927 0.000000 15 H 3.306889 4.406026 4.800788 6.131203 0.000000 16 H 2.107471 3.537016 3.838141 3.964149 4.715320 17 C 1.516865 5.806441 5.915911 6.562668 4.569670 18 H 4.144628 3.047466 1.767160 1.760492 5.490639 19 H 4.922892 2.317793 3.581760 2.482306 6.187674 20 C 2.574793 6.200719 6.036923 6.412981 5.825989 21 C 3.913918 7.602759 7.551092 7.805871 7.120252 22 C 4.289927 8.433583 8.459550 8.924905 7.156103 23 C 3.879277 8.004809 8.412751 8.920101 6.431479 24 C 2.534678 6.500395 7.079208 7.581560 5.160521 25 H 2.083907 6.474973 6.326901 7.187145 4.563831 26 H 2.724137 5.590615 5.575784 5.689266 5.990260 27 H 2.933077 6.383453 5.786729 6.289708 5.949802 28 H 4.301064 7.633703 7.859209 7.909332 7.541214 29 H 4.714017 8.219283 7.913618 8.115013 7.913507 30 H 5.360453 9.437640 9.484194 9.875795 8.209339 31 H 4.324446 8.614502 8.390311 9.034998 6.964950 32 H 4.667713 8.520492 9.141297 9.503371 7.195200 33 H 4.271501 8.524033 8.886508 9.561244 6.370645 34 H 2.864507 6.222451 7.046342 7.303655 5.599465 35 H 2.670776 6.453887 7.221977 7.845730 4.595965 16 17 18 19 20 16 H 0.000000 17 C 2.819133 0.000000 18 H 2.747843 5.105644 0.000000 19 H 3.154833 5.907121 2.959754 0.000000 20 C 2.746566 1.542139 4.833902 5.800211 0.000000 21 C 4.099028 2.562080 6.256556 6.976059 1.544961 22 C 5.098008 2.774139 7.366004 8.097647 2.546871 23 C 4.986811 2.536561 7.513889 7.860474 3.042712 24 C 3.691969 1.537902 6.291310 6.481463 2.520026 25 H 3.701548 1.084483 5.658962 6.801904 2.138934 26 H 2.054384 2.181159 4.216413 4.886148 1.084902 27 H 3.097651 2.154140 4.589280 6.097891 1.086447 28 H 4.174607 3.084113 6.497698 6.764361 2.166279 29 H 4.692565 3.437541 6.510223 7.469180 2.167429 30 H 6.053775 3.848498 8.319044 8.967670 3.487587 31 H 5.374192 2.864804 7.399980 8.488254 2.767624 32 H 5.542722 3.419618 8.182985 8.199234 3.770600 33 H 5.711286 3.042317 8.145572 8.624329 3.816311 34 H 3.409121 2.148264 6.141904 5.902938 2.700173 35 H 4.155174 2.167061 6.679352 6.740861 3.463876 21 22 23 24 25 21 C 0.000000 22 C 1.528419 0.000000 23 C 2.527065 1.540786 0.000000 24 C 2.787088 2.562099 1.542484 0.000000 25 H 2.943114 2.745551 2.651860 2.121714 0.000000 26 H 2.143372 3.402953 3.748598 2.984199 3.026480 27 H 2.175117 3.086481 3.836453 3.425021 2.342084 28 H 1.087359 2.139627 2.731824 2.914543 3.704698 29 H 1.085695 2.164909 3.474281 3.855743 3.672391 30 H 2.160660 1.085837 2.168517 3.457968 3.808623 31 H 2.147543 1.087125 2.168927 3.044386 2.433818 32 H 3.011036 2.164169 1.086420 2.158526 3.698019 33 H 3.420210 2.159128 1.085606 2.163236 2.807991 34 H 2.900525 3.069190 2.176621 1.088142 3.015402 35 H 3.854189 3.442791 2.164118 1.083240 2.524396 26 27 28 29 30 26 H 0.000000 27 H 1.739000 0.000000 28 H 2.297932 3.000926 0.000000 29 H 2.659000 2.340710 1.737890 0.000000 30 H 4.244414 3.980718 2.497678 2.460308 0.000000 31 H 3.793480 2.957064 3.036104 2.512878 1.737630 32 H 4.286771 4.667500 2.838329 3.918825 2.352476 33 H 4.632044 4.451770 3.773337 4.270810 2.650143 34 H 2.775708 3.746120 2.638835 3.967355 3.830911 35 H 3.889566 4.272970 3.979700 4.911510 4.288232 31 32 33 34 35 31 H 0.000000 32 H 3.014823 0.000000 33 H 2.347290 1.739956 0.000000 34 H 3.782832 2.344149 3.011276 0.000000 35 H 3.779899 2.663804 2.332365 1.742447 0.000000 Stoichiometry C12H18N2O3 Framework group C1[X(C12H18N2O3)] Deg. of freedom 99 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 3.054886 -1.195949 -0.318351 2 6 0 3.459678 -1.808125 1.014161 3 8 0 2.487186 -2.143538 -1.175090 4 8 0 -0.629266 2.742633 0.419472 5 6 0 0.121631 1.825883 0.250609 6 7 0 1.481374 2.059917 0.129290 7 6 0 2.482564 1.146168 -0.050043 8 8 0 3.637243 1.465396 -0.104040 9 7 0 2.049610 -0.149816 -0.149508 10 6 0 0.709342 -0.475645 -0.032597 11 6 0 -0.266661 0.411243 0.159116 12 1 0 3.903265 -0.720816 -0.782740 13 1 0 3.882741 -1.049265 1.661151 14 1 0 4.211096 -2.577829 0.861806 15 1 0 1.777069 3.010645 0.201410 16 1 0 0.520807 -1.522213 -0.129115 17 6 0 -1.748504 0.104011 0.262208 18 1 0 2.603672 -2.258576 1.504923 19 1 0 3.119524 -2.826013 -1.353757 20 6 0 -2.077127 -1.324929 0.740048 21 6 0 -3.535660 -1.724678 0.424158 22 6 0 -4.453803 -0.506377 0.330251 23 6 0 -4.019776 0.419723 -0.822129 24 6 0 -2.494349 0.399122 -1.049954 25 1 0 -2.132801 0.797113 1.002497 26 1 0 -1.423046 -2.052710 0.271513 27 1 0 -1.892144 -1.388619 1.808735 28 1 0 -3.569534 -2.258063 -0.522785 29 1 0 -3.896268 -2.419466 1.176466 30 1 0 -5.483693 -0.820077 0.188965 31 1 0 -4.428208 0.034572 1.272886 32 1 0 -4.521191 0.123282 -1.739197 33 1 0 -4.341999 1.434344 -0.609394 34 1 0 -2.228573 -0.363923 -1.778775 35 1 0 -2.172240 1.348315 -1.460670 --------------------------------------------------------------------- Rotational constants (GHZ): 0.8141005 0.2822371 0.2279283 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.59306 -20.53931 -20.53757 -15.62911 -15.61493 Alpha occ. eigenvalues -- -11.40261 -11.36444 -11.34438 -11.30489 -11.24109 Alpha occ. eigenvalues -- -11.23707 -11.23194 -11.22133 -11.21655 -11.21246 Alpha occ. eigenvalues -- -11.21129 -11.21042 -1.44124 -1.41213 -1.40175 Alpha occ. eigenvalues -- -1.30004 -1.24104 -1.13200 -1.08266 -1.03466 Alpha occ. eigenvalues -- -1.00029 -0.99106 -0.92267 -0.91351 -0.86305 Alpha occ. eigenvalues -- -0.83801 -0.82498 -0.77750 -0.74973 -0.71960 Alpha occ. eigenvalues -- -0.71116 -0.69067 -0.67524 -0.66121 -0.65590 Alpha occ. eigenvalues -- -0.64834 -0.63855 -0.62290 -0.60568 -0.59902 Alpha occ. eigenvalues -- -0.58496 -0.57030 -0.56086 -0.55300 -0.53877 Alpha occ. eigenvalues -- -0.52485 -0.51791 -0.51663 -0.50353 -0.49653 Alpha occ. eigenvalues -- -0.49376 -0.47125 -0.46252 -0.44524 -0.43526 Alpha occ. eigenvalues -- -0.43068 -0.42312 -0.42113 -0.33500 Alpha virt. eigenvalues -- 0.12460 0.19104 0.19852 0.22195 0.24513 Alpha virt. eigenvalues -- 0.25366 0.25911 0.27028 0.28737 0.29179 Alpha virt. eigenvalues -- 0.29857 0.30316 0.30466 0.30894 0.31570 Alpha virt. eigenvalues -- 0.32396 0.32971 0.34305 0.35612 0.35807 Alpha virt. eigenvalues -- 0.37649 0.38189 0.39243 0.39496 0.40513 Alpha virt. eigenvalues -- 0.41394 0.43118 0.44107 0.45535 0.46304 Alpha virt. eigenvalues -- 0.48746 0.49492 0.51183 0.51587 0.53568 Alpha virt. eigenvalues -- 0.55363 0.57987 0.58908 0.67349 0.69233 Alpha virt. eigenvalues -- 0.70474 0.72272 0.73122 0.73892 0.75140 Alpha virt. eigenvalues -- 0.75522 0.77413 0.77537 0.79280 0.79595 Alpha virt. eigenvalues -- 0.81227 0.81748 0.85007 0.85145 0.86963 Alpha virt. eigenvalues -- 0.87785 0.90418 0.91272 0.93099 0.93726 Alpha virt. eigenvalues -- 0.94085 0.94481 0.97479 0.98226 0.98525 Alpha virt. eigenvalues -- 0.99736 1.00901 1.01325 1.03592 1.04496 Alpha virt. eigenvalues -- 1.06127 1.06778 1.07758 1.09953 1.10853 Alpha virt. eigenvalues -- 1.12144 1.13227 1.13781 1.14360 1.15182 Alpha virt. eigenvalues -- 1.15470 1.15985 1.16704 1.17006 1.17898 Alpha virt. eigenvalues -- 1.18804 1.19356 1.19476 1.21455 1.22349 Alpha virt. eigenvalues -- 1.22590 1.23553 1.23862 1.24811 1.26388 Alpha virt. eigenvalues -- 1.27334 1.27904 1.30718 1.32503 1.32904 Alpha virt. eigenvalues -- 1.34776 1.36531 1.37465 1.38944 1.39597 Alpha virt. eigenvalues -- 1.41166 1.42443 1.44737 1.46747 1.50674 Alpha virt. eigenvalues -- 1.52839 1.54105 1.58763 1.60724 1.63221 Alpha virt. eigenvalues -- 1.64325 1.66340 1.66678 1.69099 1.70937 Alpha virt. eigenvalues -- 1.73607 1.76303 1.77253 1.77905 1.79554 Alpha virt. eigenvalues -- 1.82745 1.83583 1.88992 1.94589 1.96785 Alpha virt. eigenvalues -- 1.96993 1.99584 2.01648 2.03828 2.04282 Alpha virt. eigenvalues -- 2.05752 2.07148 2.08115 2.08901 2.10732 Alpha virt. eigenvalues -- 2.11150 2.11946 2.13427 2.14944 2.15556 Alpha virt. eigenvalues -- 2.17208 2.19397 2.20269 2.22802 2.23795 Alpha virt. eigenvalues -- 2.24655 2.27910 2.28528 2.29809 2.31089 Alpha virt. eigenvalues -- 2.33358 2.34157 2.35225 2.37651 2.38967 Alpha virt. eigenvalues -- 2.40770 2.42945 2.45354 2.46071 2.47896 Alpha virt. eigenvalues -- 2.48953 2.50386 2.52517 2.53740 2.54898 Alpha virt. eigenvalues -- 2.56303 2.56605 2.59161 2.64319 2.65154 Alpha virt. eigenvalues -- 2.65322 2.67959 2.70855 2.71816 2.74475 Alpha virt. eigenvalues -- 2.76493 2.77921 2.80414 2.82253 2.84167 Alpha virt. eigenvalues -- 2.85658 2.85810 2.87828 2.91639 2.95627 Alpha virt. eigenvalues -- 2.97305 2.98102 3.00714 3.02287 3.03284 Alpha virt. eigenvalues -- 3.05901 3.07391 3.08156 3.09919 3.14804 Alpha virt. eigenvalues -- 3.18584 3.22710 3.24762 3.30886 3.32777 Alpha virt. eigenvalues -- 3.38797 3.40941 3.46400 3.69099 3.86135 Alpha virt. eigenvalues -- 4.22801 4.44231 4.46568 4.49656 4.58036 Alpha virt. eigenvalues -- 4.61001 4.68477 4.71098 4.73019 4.76677 Alpha virt. eigenvalues -- 4.89524 4.92425 4.92496 4.99554 5.09152 Alpha virt. eigenvalues -- 5.19074 5.22121 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.564975 0.375447 0.223768 0.000001 -0.000041 0.002082 2 C 0.375447 5.180558 -0.061824 -0.000000 0.000032 -0.000191 3 O 0.223768 -0.061824 8.405133 0.000000 0.000016 -0.000038 4 O 0.000001 -0.000000 0.000000 8.134273 0.629959 -0.095419 5 C -0.000041 0.000032 0.000016 0.629959 3.997951 0.241631 6 N 0.002082 -0.000191 -0.000038 -0.095419 0.241631 7.509148 7 C -0.025573 -0.000231 0.001536 0.000961 -0.015513 0.303507 8 O 0.000882 -0.001100 0.000160 -0.000021 0.000516 -0.088225 9 N 0.214232 -0.077172 -0.059516 -0.000053 -0.006759 -0.119395 10 C -0.023566 -0.002046 -0.007370 0.003643 -0.048385 -0.003202 11 C 0.000207 -0.000187 0.000086 -0.090156 0.396432 -0.113659 12 H 0.429558 -0.053450 -0.031884 0.000000 -0.000029 0.000364 13 H -0.028950 0.377365 0.003192 0.000000 -0.000003 -0.000021 14 H -0.036560 0.384525 0.000485 0.000000 -0.000000 0.000002 15 H -0.000047 0.000003 0.000000 0.005311 -0.008832 0.301443 16 H -0.002101 -0.000681 0.009119 -0.000039 0.001778 -0.000377 17 C -0.000074 -0.000001 -0.000011 -0.000512 -0.030149 0.003108 18 H -0.028837 0.381544 0.000652 -0.000000 0.000001 -0.000011 19 H -0.023202 -0.000301 0.266739 0.000000 -0.000001 0.000003 20 C -0.000001 0.000000 0.000004 0.000226 0.002629 -0.000037 21 C 0.000000 0.000000 -0.000000 -0.000002 -0.000041 0.000000 22 C -0.000000 -0.000000 0.000000 0.000005 -0.000005 -0.000000 23 C -0.000000 -0.000000 0.000000 -0.000132 0.000033 0.000001 24 C 0.000002 0.000000 0.000000 -0.001407 -0.005104 -0.000111 25 H 0.000001 -0.000000 -0.000000 0.006621 -0.002989 0.000274 26 H 0.000009 0.000000 -0.000052 -0.000005 -0.000059 -0.000005 27 H -0.000000 -0.000000 0.000000 0.000002 -0.000177 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 0.000001 -0.000000 30 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 31 H -0.000000 -0.000000 -0.000000 -0.000006 0.000000 -0.000000 32 H 0.000000 0.000000 -0.000000 -0.000000 -0.000003 -0.000000 33 H 0.000000 0.000000 0.000000 0.000061 0.000028 0.000000 34 H 0.000000 -0.000000 -0.000000 0.000025 0.000435 0.000003 35 H 0.000000 0.000000 -0.000000 0.003705 0.001440 -0.000082 7 8 9 10 11 12 1 C -0.025573 0.000882 0.214232 -0.023566 0.000207 0.429558 2 C -0.000231 -0.001100 -0.077172 -0.002046 -0.000187 -0.053450 3 O 0.001536 0.000160 -0.059516 -0.007370 0.000086 -0.031884 4 O 0.000961 -0.000021 -0.000053 0.003643 -0.090156 0.000000 5 C -0.015513 0.000516 -0.006759 -0.048385 0.396432 -0.000029 6 N 0.303507 -0.088225 -0.119395 -0.003202 -0.113659 0.000364 7 C 3.766447 0.651499 0.289099 -0.033888 -0.000284 -0.004071 8 O 0.651499 8.150747 -0.100759 0.001029 0.000169 0.008239 9 N 0.289099 -0.100759 7.533179 0.232943 -0.032691 -0.047371 10 C -0.033888 0.001029 0.232943 4.774076 0.602977 0.003648 11 C -0.000284 0.000169 -0.032691 0.602977 5.283381 0.000065 12 H -0.004071 0.008239 -0.047371 0.003648 0.000065 0.469114 13 H 0.001169 0.001999 -0.001929 0.000214 0.000006 0.000116 14 H 0.000037 -0.000011 0.004990 -0.000109 0.000000 -0.001515 15 H -0.012033 0.003655 0.003908 -0.000928 0.005544 -0.000004 16 H 0.001290 -0.000072 -0.036482 0.382381 -0.022976 0.000341 17 C 0.000064 0.000001 0.002447 -0.041954 0.337594 0.000001 18 H 0.000009 -0.000014 -0.004234 0.002106 0.000142 0.003630 19 H 0.000001 0.000009 0.005846 0.000084 0.000008 -0.002570 20 C -0.000009 0.000000 0.000128 -0.004563 -0.045522 -0.000000 21 C 0.000000 0.000000 -0.000002 0.000012 0.004466 -0.000000 22 C -0.000000 0.000000 0.000000 0.000020 -0.000252 0.000000 23 C 0.000000 0.000000 0.000000 0.000010 0.005188 0.000000 24 C 0.000004 -0.000000 -0.000026 -0.001462 -0.048709 -0.000000 25 H -0.000016 -0.000000 -0.000028 0.002682 -0.053761 -0.000000 26 H 0.000001 -0.000000 0.000114 0.000767 -0.008491 -0.000000 27 H -0.000001 0.000000 -0.000035 0.000504 -0.000765 0.000000 28 H -0.000000 -0.000000 -0.000000 -0.000006 -0.000210 0.000000 29 H -0.000000 -0.000000 0.000000 0.000001 -0.000064 -0.000000 30 H 0.000000 -0.000000 -0.000000 -0.000000 0.000012 0.000000 31 H 0.000000 -0.000000 -0.000000 -0.000004 -0.000152 -0.000000 32 H 0.000000 -0.000000 -0.000000 -0.000001 -0.000100 -0.000000 33 H -0.000000 0.000000 0.000000 -0.000002 -0.000321 -0.000000 34 H -0.000001 0.000000 -0.000021 0.000910 -0.003288 -0.000000 35 H -0.000003 0.000000 0.000005 0.000339 -0.005118 -0.000000 13 14 15 16 17 18 1 C -0.028950 -0.036560 -0.000047 -0.002101 -0.000074 -0.028837 2 C 0.377365 0.384525 0.000003 -0.000681 -0.000001 0.381544 3 O 0.003192 0.000485 0.000000 0.009119 -0.000011 0.000652 4 O 0.000000 0.000000 0.005311 -0.000039 -0.000512 -0.000000 5 C -0.000003 -0.000000 -0.008832 0.001778 -0.030149 0.000001 6 N -0.000021 0.000002 0.301443 -0.000377 0.003108 -0.000011 7 C 0.001169 0.000037 -0.012033 0.001290 0.000064 0.000009 8 O 0.001999 -0.000011 0.003655 -0.000072 0.000001 -0.000014 9 N -0.001929 0.004990 0.003908 -0.036482 0.002447 -0.004234 10 C 0.000214 -0.000109 -0.000928 0.382381 -0.041954 0.002106 11 C 0.000006 0.000000 0.005544 -0.022976 0.337594 0.000142 12 H 0.000116 -0.001515 -0.000004 0.000341 0.000001 0.003630 13 H 0.494030 -0.022157 -0.000000 0.000003 0.000000 -0.021953 14 H -0.022157 0.532543 -0.000000 -0.000010 -0.000000 -0.025871 15 H -0.000000 -0.000000 0.279836 0.000013 -0.000066 0.000000 16 H 0.000003 -0.000010 0.000013 0.394699 -0.001412 0.000755 17 C 0.000000 -0.000000 -0.000066 -0.001412 5.064819 -0.000002 18 H -0.021953 -0.025871 0.000000 0.000755 -0.000002 0.516564 19 H 0.000013 0.001520 -0.000000 -0.000181 0.000000 -0.000212 20 C -0.000000 -0.000000 0.000001 0.000989 0.346665 0.000005 21 C 0.000000 -0.000000 -0.000000 -0.000095 -0.045266 -0.000000 22 C 0.000000 0.000000 0.000000 0.000004 -0.015397 0.000000 23 C -0.000000 0.000000 -0.000000 -0.000004 -0.046615 -0.000000 24 C 0.000000 -0.000000 0.000002 0.000153 0.336495 0.000000 25 H -0.000000 0.000000 -0.000006 0.000008 0.417948 -0.000000 26 H -0.000000 0.000000 0.000000 0.003197 -0.038042 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0.000004 8 O 0.000009 0.000000 0.000000 0.000000 0.000000 -0.000000 9 N 0.005846 0.000128 -0.000002 0.000000 0.000000 -0.000026 10 C 0.000084 -0.004563 0.000012 0.000020 0.000010 -0.001462 11 C 0.000008 -0.045522 0.004466 -0.000252 0.005188 -0.048709 12 H -0.002570 -0.000000 -0.000000 0.000000 0.000000 -0.000000 13 H 0.000013 -0.000000 0.000000 0.000000 -0.000000 0.000000 14 H 0.001520 -0.000000 -0.000000 0.000000 0.000000 -0.000000 15 H -0.000000 0.000001 -0.000000 0.000000 -0.000000 0.000002 16 H -0.000181 0.000989 -0.000095 0.000004 -0.000004 0.000153 17 C 0.000000 0.346665 -0.045266 -0.015397 -0.046615 0.336495 18 H -0.000212 0.000005 -0.000000 0.000000 -0.000000 0.000000 19 H 0.295913 0.000000 0.000000 0.000000 -0.000000 0.000000 20 C 0.000000 5.114380 0.329662 -0.050604 -0.008259 -0.055074 21 C 0.000000 0.329662 5.112657 0.340293 -0.054673 -0.010697 22 C 0.000000 -0.050604 0.340293 5.110035 0.335196 -0.050428 23 C -0.000000 -0.008259 -0.054673 0.335196 5.100011 0.329215 24 C 0.000000 -0.055074 -0.010697 -0.050428 0.329215 5.142836 25 H -0.000000 -0.039889 -0.002138 0.000355 -0.002322 -0.046649 26 H 0.000001 0.396304 -0.043207 0.004146 0.000071 -0.001388 27 H 0.000000 0.400498 -0.034424 0.000272 -0.000153 0.004577 28 H -0.000000 -0.041671 0.401677 -0.045406 -0.002985 -0.000071 29 H 0.000000 -0.037720 0.405611 -0.036049 0.004268 0.000009 30 H 0.000000 0.004143 -0.036739 0.405818 -0.037057 0.003786 31 H 0.000000 -0.002143 -0.046609 0.402790 -0.040770 0.000239 32 H 0.000000 -0.000057 -0.000475 -0.038984 0.401262 -0.041194 33 H -0.000000 0.000068 0.004307 -0.040017 0.404136 -0.037850 34 H -0.000000 -0.002693 -0.001035 0.001015 -0.038257 0.396196 35 H 0.000000 0.003784 0.000063 0.003468 -0.033904 0.405462 25 26 27 28 29 30 1 C 0.000001 0.000009 -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 -0.000052 0.000000 0.000000 -0.000000 -0.000000 4 O 0.006621 -0.000005 0.000002 -0.000000 0.000000 0.000000 5 C -0.002989 -0.000059 -0.000177 0.000000 0.000001 0.000000 6 N 0.000274 -0.000005 0.000000 -0.000000 -0.000000 0.000000 7 C -0.000016 0.000001 -0.000001 -0.000000 -0.000000 0.000000 8 O -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 9 N -0.000028 0.000114 -0.000035 -0.000000 0.000000 -0.000000 10 C 0.002682 0.000767 0.000504 -0.000006 0.000001 -0.000000 11 C -0.053761 -0.008491 -0.000765 -0.000210 -0.000064 0.000012 12 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 13 H -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 -0.000006 0.000000 -0.000000 0.000000 0.000000 0.000000 16 H 0.000008 0.003197 -0.000175 -0.000025 0.000006 0.000000 17 C 0.417948 -0.038042 -0.041760 0.000082 0.003622 0.000258 18 H -0.000000 -0.000001 0.000004 0.000000 -0.000000 -0.000000 19 H -0.000000 0.000001 0.000000 -0.000000 0.000000 0.000000 20 C -0.039889 0.396304 0.400498 -0.041671 -0.037720 0.004143 21 C -0.002138 -0.043207 -0.034424 0.401677 0.405611 -0.036739 22 C 0.000355 0.004146 0.000272 -0.045406 -0.036049 0.405818 23 C -0.002322 0.000071 -0.000153 -0.002985 0.004268 -0.037057 24 C -0.046649 -0.001388 0.004577 -0.000071 0.000009 0.003786 25 H 0.511394 0.004074 -0.004312 0.000020 -0.000115 -0.000050 26 H 0.004074 0.564586 -0.029706 -0.005785 0.000637 -0.000101 27 H -0.004312 -0.029706 0.539661 0.003874 -0.006030 -0.000111 28 H 0.000020 -0.005785 0.003874 0.557604 -0.029884 -0.002531 29 H -0.000115 0.000637 -0.006030 -0.029884 0.535556 -0.002713 30 H -0.000050 -0.000101 -0.000111 -0.002531 -0.002713 0.534392 31 H 0.000395 0.000005 0.001279 0.004835 -0.002435 -0.029565 32 H 0.000041 0.000003 0.000015 0.001810 -0.000135 -0.005907 33 H 0.001272 0.000013 0.000006 -0.000012 -0.000099 0.000498 34 H 0.004743 0.002276 0.000014 0.000081 -0.000042 -0.000109 35 H -0.001649 -0.000128 -0.000101 -0.000043 0.000007 -0.000061 31 32 33 34 35 1 C -0.000000 0.000000 0.000000 0.000000 0.000000 2 C -0.000000 0.000000 0.000000 -0.000000 0.000000 3 O -0.000000 -0.000000 0.000000 -0.000000 -0.000000 4 O -0.000006 -0.000000 0.000061 0.000025 0.003705 5 C 0.000000 -0.000003 0.000028 0.000435 0.001440 6 N -0.000000 -0.000000 0.000000 0.000003 -0.000082 7 C 0.000000 0.000000 -0.000000 -0.000001 -0.000003 8 O -0.000000 -0.000000 0.000000 0.000000 0.000000 9 N -0.000000 -0.000000 0.000000 -0.000021 0.000005 10 C -0.000004 -0.000001 -0.000002 0.000910 0.000339 11 C -0.000152 -0.000100 -0.000321 -0.003288 -0.005118 12 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 13 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 14 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 15 H 0.000000 0.000000 -0.000000 -0.000000 0.000002 16 H -0.000001 0.000000 -0.000000 -0.000059 0.000007 17 C -0.001155 0.004196 -0.000574 -0.046875 -0.035794 18 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 19 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 20 C -0.002143 -0.000057 0.000068 -0.002693 0.003784 21 C -0.046609 -0.000475 0.004307 -0.001035 0.000063 22 C 0.402790 -0.038984 -0.040017 0.001015 0.003468 23 C -0.040770 0.401262 0.404136 -0.038257 -0.033904 24 C 0.000239 -0.041194 -0.037850 0.396196 0.405462 25 H 0.000395 0.000041 0.001272 0.004743 -0.001649 26 H 0.000005 0.000003 0.000013 0.002276 -0.000128 27 H 0.001279 0.000015 0.000006 0.000014 -0.000101 28 H 0.004835 0.001810 -0.000012 0.000081 -0.000043 29 H -0.002435 -0.000135 -0.000099 -0.000042 0.000007 30 H -0.029565 -0.005907 0.000498 -0.000109 -0.000061 31 H 0.553875 0.004087 -0.005386 -0.000045 -0.000118 32 H 0.004087 0.549445 -0.028013 -0.005661 0.000501 33 H -0.005386 -0.028013 0.531457 0.003790 -0.005479 34 H -0.000045 -0.005661 0.003790 0.562840 -0.027564 35 H -0.000118 0.000501 -0.005479 -0.027564 0.501516 Mulliken charges: 1 1 C 0.357788 2 C -0.502292 3 O -0.750196 4 O -0.597040 5 C 0.845207 6 N -0.940796 7 C 1.075999 8 O -0.628704 9 N -0.800417 10 C 0.159140 11 C -0.209572 12 H 0.225819 13 H 0.196907 14 H 0.162131 15 H 0.422198 16 H 0.269946 17 C -0.171640 18 H 0.175726 19 H 0.456330 20 C -0.311244 21 C -0.323344 22 C -0.326278 23 C -0.314260 24 C -0.318805 25 H 0.204099 26 H 0.150766 27 H 0.167044 28 H 0.158648 29 H 0.165568 30 H 0.166036 31 H 0.160883 32 H 0.159172 33 H 0.172117 34 H 0.153322 35 H 0.189745 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.583606 2 C 0.032472 3 O -0.293866 4 O -0.597040 5 C 0.845207 6 N -0.518598 7 C 1.075999 8 O -0.628704 9 N -0.800417 10 C 0.429086 11 C -0.209572 17 C 0.032458 20 C 0.006566 21 C 0.000872 22 C 0.000641 23 C 0.017028 24 C 0.024263 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147264378 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= 18.32 Shift= 10.362677 5.340391 3.361397 Box 1 Number 0 centers from 1 to 104: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.59D+01 RnKept= 1.87D+01 NSMCal= 5460 NSMKep= 4504 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4504 NTPThr= 100 NPartT= 1 Incr= 45 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 45. PRISM was handed 2146884607 working-precision words and 4504 shell-pairs IPart= 0 NShTot= 4504 NBatch= 57 AvBLen= 79.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 46. Electronic moments (au): -128.00000000 0.45295411 -1.97357988 0.06786247 -3464.23889285 -1110.63404939 -293.40866517 -6.75322198 0.18064714 -0.30077717 3975.41074289 -490.72647605 73.81725960 -1276.99974628 2635.15290306 152.51764902 136.88736138 361.07400151 -225.62625054 -438.42382742 -168143.66665260 -20474.92062559 -2171.41733817 -3539.74419107 -2935.76844957 1706.06616162 -1174.31880347 -648.12073800 186.44075930 -24870.81462343 -9363.96940746 -2697.76621019 3324.70474442 1209.04161111 1672.04390602 Electronic spatial extent (au): = 4868.2816 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 128.00000000 0.00000000 -0.00000000 -0.00000000 3388.36898535 1034.12775941 217.38069823 -0.00000000 0.00000000 -0.00000000 -3957.25843445 450.91007970 -76.55613606 1345.68443320 -2727.16218970 -163.46828610 -119.09945186 -360.40802041 209.06666367 453.22634732 155651.09707831 16882.10203763 1164.14278700 2770.06998699 2809.56812274 -1800.17949253 1260.52358825 595.83699631 -135.48361746 22390.54944285 7205.32480674 1939.31733823 -3194.91325163 -1277.33133998 -1701.01047401 Total moments (au): 0.00000000 0.45295411 -1.97357988 0.06786247 -75.86990749 -76.50628998 -76.02796695 -6.75322198 0.18064714 -0.30077717 18.15230844 -39.81639634 -2.73887646 68.68468692 -92.00928665 -10.95063708 17.78790953 0.66598110 -16.55958687 14.80251990 -12492.56957430 -3592.81858796 -1007.27455117 -769.67420407 -126.20032683 -94.11333091 86.20478478 -52.28374169 50.95714184 -2480.26518058 -2158.64460072 -758.44887196 129.79149279 -68.28972887 -28.96656799 Traceless Quadrup. (au): 0.26481398 -0.37156851 0.10675453 -6.75322198 0.18064714 -0.30077717 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.1513 Y= -5.0163 Z= 0.1725 Tot= 5.1496 Quadrupole moment (field-independent basis, Debye-Ang): XX= -102.0476 YY= -102.9036 ZZ= -102.2602 XY= -9.0833 XZ= 0.2430 YZ= -0.4046 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.3562 YY= -0.4998 ZZ= 0.1436 XY= -9.0833 XZ= 0.2430 YZ= -0.4046 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 12.9201 YYY= -28.3398 ZZZ= -1.9494 XYY= 48.8871 XXY= -65.4887 XXZ= -7.7942 XZZ= 12.6607 YZZ= 0.4740 YYZ= -11.7865 XYZ= 10.5359 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4705.3007 YYYY= -1353.2278 ZZZZ= -379.3879 XXXY= -289.8962 XXXZ= -47.5331 YYYX= -35.4476 YYYZ= 32.4689 ZZZX= -19.6926 ZZZY= 19.1929 XXYY= -934.1868 XXZZ= -813.0491 YYZZ= -285.6682 XXYZ= 48.8857 YYXZ= -25.7212 ZZXY= -10.9102 N-N= 1.277061118590D+03 E-N=-4.423277328694D+03 KE= 7.973969761731D+02 Entering OneElI... OneElI was handed 2147305663 working-precision words. Calculate electrostatic properties NBasis = 291 MinDer = 0 MaxDer = 0 NGrid = 35 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 18.32 Shift= 10.362677 5.340391 3.361397 Box 1 Number 0 centers from 1 to 104: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.71D+01 NSMCal= 5460 NSMKep= 4052 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 141820 NTPThr= 100 NPartT= 12 Incr= 118 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 118. PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs PRISM was handed 178804678 working-precision words and 4052 shell-pairs IPart= 0 NShTot= 12600 NBatch= 360 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 11620 NBatch= 332 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 11515 NBatch= 329 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 11865 NBatch= 339 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 11130 NBatch= 318 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 11235 NBatch= 321 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 11480 NBatch= 328 AvBLen= 35.0 IPart= 9 NShTot= 11410 NBatch= 326 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 12180 NBatch= 348 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 12005 NBatch= 343 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 12495 NBatch= 357 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 2 NShTot= 12285 NBatch= 351 AvBLen= 35.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1417. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.034255 -0.155520 0.121265 2 Atom 0.013881 0.003595 -0.017476 3 Atom 0.069377 -0.796517 0.727140 4 Atom 0.626456 0.188423 -0.814880 5 Atom 0.079469 0.420424 -0.499893 6 Atom -0.409830 -0.403988 0.813819 7 Atom 0.322948 0.108252 -0.431200 8 Atom -0.846047 1.268034 -0.421988 9 Atom -0.480627 -0.469318 0.949946 10 Atom 0.008345 0.344711 -0.353056 11 Atom 0.112688 0.012042 -0.124730 12 Atom -0.135179 0.066691 0.068488 13 Atom 0.088726 -0.074890 -0.013836 14 Atom -0.062522 -0.075349 0.137871 15 Atom 0.126409 -0.368002 0.241593 16 Atom 0.130306 -0.304819 0.174513 17 Atom -0.099171 0.041457 0.057714 18 Atom -0.140125 0.079170 0.060956 19 Atom -0.098493 -0.144645 0.243137 20 Atom -0.005160 -0.018071 0.023231 21 Atom -0.030146 0.007361 0.022785 22 Atom 0.002171 -0.004805 0.002634 23 Atom -0.022553 0.024343 -0.001790 24 Atom -0.015850 0.045404 -0.029554 25 Atom 0.084079 -0.023566 -0.060514 26 Atom -0.022572 -0.052126 0.074698 27 Atom 0.142008 0.152855 -0.294863 28 Atom 0.150776 0.045103 -0.195879 29 Atom 0.101453 -0.033105 -0.068347 30 Atom -0.264376 0.115393 0.148983 31 Atom 0.155217 0.037990 -0.193207 32 Atom 0.054462 0.122568 -0.177029 33 Atom 0.113712 -0.251722 0.138010 34 Atom 0.124970 -0.073371 -0.051599 35 Atom 0.109191 -0.199887 0.090696 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.133264 -0.113663 -0.288543 2 Atom 0.022183 0.003558 0.028515 3 Atom 0.512165 -0.404947 -1.559343 4 Atom 1.234324 -0.031695 -0.035851 5 Atom -0.043080 -0.067876 0.092970 6 Atom 0.037968 0.130667 -0.126483 7 Atom 0.067234 -0.054132 0.058328 8 Atom -0.637832 -0.041132 0.211001 9 Atom -0.027535 0.130956 -0.102499 10 Atom -0.138394 -0.045743 0.082890 11 Atom -0.028859 -0.023933 0.015512 12 Atom -0.144188 0.158982 0.080396 13 Atom -0.126708 -0.112629 -0.194092 14 Atom 0.232176 0.046622 -0.047758 15 Atom -0.170494 -0.006434 -0.048614 16 Atom -0.090556 -0.007837 -0.038359 17 Atom -0.043810 0.004792 0.030966 18 Atom -0.152471 0.164536 0.091940 19 Atom 0.372973 0.077070 -0.129100 20 Atom -0.005791 -0.002621 0.011123 21 Atom -0.013036 -0.012675 -0.004539 22 Atom 0.010492 0.008614 0.013837 23 Atom -0.003525 0.013625 0.023913 24 Atom 0.012750 -0.015206 -0.003084 25 Atom 0.100960 0.112257 -0.198980 26 Atom 0.186072 0.126677 -0.136463 27 Atom 0.001407 -0.077050 0.027206 28 Atom -0.004681 -0.012392 -0.197979 29 Atom -0.098513 0.106535 0.209531 30 Atom -0.128451 -0.059519 -0.015369 31 Atom -0.004865 -0.011159 -0.198744 32 Atom -0.061698 -0.179498 -0.107962 33 Atom 0.128361 0.030681 -0.084767 34 Atom 0.080700 0.071738 -0.217014 35 Atom -0.121374 0.049813 0.159656 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4707 2.261 0.807 0.754 0.7227 -0.6768 -0.1402 6 N(14) Bbb -0.3688 1.771 0.632 0.591 0.6838 0.7297 0.0025 Bcc 0.8396 -4.032 -1.439 -1.345 0.1006 -0.0976 0.9901 Baa -0.5044 2.423 0.864 0.808 0.8355 0.5483 -0.0366 9 N(14) Bbb -0.4650 2.233 0.797 0.745 -0.5420 0.8331 0.1105 Bcc 0.9694 -4.656 -1.661 -1.553 0.0911 -0.0725 0.9932 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 18:52:27 2024, MaxMem= 2147483648 cpu: 1.3 elap: 0.2 FitSet: NAtFit= 35 NAtPot= 35 NAtFrz= 0 MDM= 39 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 8 1.40 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 1 1.20 17 6 1.50 18 1 1.20 19 1 1.20 20 6 1.50 21 6 1.50 22 6 1.50 23 6 1.50 24 6 1.50 25 1 1.20 26 1 1.20 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 1 1.20 34 1 1.20 35 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 3.054886 -1.195949 -0.318351 Atomic Center 2 is at 3.459678 -1.808125 1.014161 Atomic Center 3 is at 2.487186 -2.143538 -1.175090 Atomic Center 4 is at -0.629266 2.742633 0.419472 Atomic Center 5 is at 0.121631 1.825883 0.250609 Atomic Center 6 is at 1.481374 2.059917 0.129290 Atomic Center 7 is at 2.482564 1.146168 -0.050043 Atomic Center 8 is at 3.637243 1.465396 -0.104040 Atomic Center 9 is at 2.049610 -0.149816 -0.149508 Atomic Center 10 is at 0.709342 -0.475645 -0.032597 Atomic Center 11 is at -0.266661 0.411243 0.159116 Atomic Center 12 is at 3.903265 -0.720816 -0.782740 Atomic Center 13 is at 3.882741 -1.049265 1.661151 Atomic Center 14 is at 4.211096 -2.577829 0.861806 Atomic Center 15 is at 1.777069 3.010645 0.201410 Atomic Center 16 is at 0.520807 -1.522213 -0.129115 Atomic Center 17 is at -1.748504 0.104011 0.262208 Atomic Center 18 is at 2.603672 -2.258576 1.504923 Atomic Center 19 is at 3.119524 -2.826013 -1.353757 Atomic Center 20 is at -2.077127 -1.324929 0.740048 Atomic Center 21 is at -3.535660 -1.724678 0.424158 Atomic Center 22 is at -4.453803 -0.506377 0.330251 Atomic Center 23 is at -4.019776 0.419723 -0.822129 Atomic Center 24 is at -2.494349 0.399122 -1.049954 Atomic Center 25 is at -2.132801 0.797113 1.002497 Atomic Center 26 is at -1.423046 -2.052710 0.271513 Atomic Center 27 is at -1.892144 -1.388619 1.808735 Atomic Center 28 is at -3.569534 -2.258063 -0.522785 Atomic Center 29 is at -3.896268 -2.419466 1.176466 Atomic Center 30 is at -5.483693 -0.820077 0.188965 Atomic Center 31 is at -4.428208 0.034572 1.272886 Atomic Center 32 is at -4.521191 0.123282 -1.739197 Atomic Center 33 is at -4.341999 1.434344 -0.609394 Atomic Center 34 is at -2.228573 -0.363923 -1.778775 Atomic Center 35 is at -2.172240 1.348315 -1.460670 ESP Fit Center 36 is at 4.745370 -2.372561 -0.728040 ESP Fit Center 37 is at 3.054886 -0.392314 -2.258498 ESP Fit Center 38 is at 2.653068 -0.499981 -2.258498 ESP Fit Center 39 is at 3.459678 -1.808125 3.114161 ESP Fit Center 40 is at 3.049989 -1.808125 3.073810 ESP Fit Center 41 is at 3.254834 -2.162927 3.073810 ESP Fit Center 42 is at 3.664523 -2.162927 3.073810 ESP Fit Center 43 is at 2.763710 -1.406308 2.954308 ESP Fit Center 44 is at 3.459678 -2.611761 2.954308 ESP Fit Center 45 is at 3.861496 -2.504094 2.954308 ESP Fit Center 46 is at 4.155647 -2.209943 2.954308 ESP Fit Center 47 is at 3.567328 -2.969846 2.760247 ESP Fit Center 48 is at 3.979720 -2.852510 2.760247 ESP Fit Center 49 is at 4.321878 -2.594124 2.760247 ESP Fit Center 50 is at 4.547591 -2.229585 2.760247 ESP Fit Center 51 is at 3.671005 -3.277935 2.499085 ESP Fit Center 52 is at 4.076538 -3.158860 2.499085 ESP Fit Center 53 is at 4.432097 -2.930356 2.499085 ESP Fit Center 54 is at 4.708876 -2.610936 2.499085 ESP Fit Center 55 is at 4.884453 -2.226477 2.499085 ESP Fit Center 56 is at 2.152714 -0.650256 2.180858 ESP Fit Center 57 is at 3.670146 -3.541481 2.180858 ESP Fit Center 58 is at 5.399825 -1.808125 1.817796 ESP Fit Center 59 is at 5.519327 -1.398436 1.014161 ESP Fit Center 60 is at 3.049989 -3.867775 1.014161 ESP Fit Center 61 is at 5.477166 -1.393521 0.604471 ESP Fit Center 62 is at 5.352409 -0.995891 0.604471 ESP Fit Center 63 is at 5.150163 -0.631513 0.604471 ESP Fit Center 64 is at 2.943422 -3.802025 0.604471 ESP Fit Center 65 is at 5.354466 -1.391051 0.210526 ESP Fit Center 66 is 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Center 104 is at 1.764464 -3.679400 -2.155090 ESP Fit Center 105 is at 3.884749 -1.733176 -2.486586 ESP Fit Center 106 is at 3.712526 -1.356060 -2.486586 ESP Fit Center 107 is at 3.441033 -1.042740 -2.486586 ESP Fit Center 108 is at 3.092265 -0.818601 -2.486586 ESP Fit Center 109 is at 2.694477 -0.701799 -2.486586 ESP Fit Center 110 is at 2.279896 -0.701799 -2.486586 ESP Fit Center 111 is at 1.882108 -0.818601 -2.486586 ESP Fit Center 112 is at 1.533340 -1.042740 -2.486586 ESP Fit Center 113 is at 1.261847 -1.356060 -2.486586 ESP Fit Center 114 is at 1.089623 -1.733176 -2.486586 ESP Fit Center 115 is at 1.030622 -2.143538 -2.486586 ESP Fit Center 116 is at 1.089623 -2.553899 -2.486586 ESP Fit Center 117 is at 1.261847 -2.931016 -2.486586 ESP Fit Center 118 is at 1.533340 -3.244335 -2.486586 ESP Fit Center 119 is at 1.882108 -3.468475 -2.486586 ESP Fit Center 120 is at 3.561449 -1.727366 -2.760763 ESP Fit Center 121 is at 3.338568 -1.367400 -2.760763 ESP Fit Center 122 is at 3.000703 -1.112257 -2.760763 ESP Fit Center 123 is at 2.593485 -0.996393 -2.760763 ESP Fit Center 124 is at 2.171910 -1.035458 -2.760763 ESP Fit Center 125 is at 1.792915 -1.224175 -2.760763 ESP Fit Center 126 is at 1.507686 -1.537057 -2.760763 ESP Fit Center 127 is at 1.354743 -1.931847 -2.760763 ESP Fit Center 128 is at 1.354743 -2.355228 -2.760763 ESP Fit Center 129 is at 1.507686 -2.750019 -2.760763 ESP Fit Center 130 is at 1.792915 -3.062901 -2.760763 ESP Fit Center 131 is at 2.171910 -3.251618 -2.760763 ESP Fit Center 132 is at 3.284390 -2.143538 -2.965639 ESP Fit Center 133 is at 3.177585 -1.744936 -2.965639 ESP Fit Center 134 is at 2.885788 -1.453139 -2.965639 ESP Fit Center 135 is at 2.487186 -1.346334 -2.965639 ESP Fit Center 136 is at 2.088584 -1.453139 -2.965639 ESP Fit Center 137 is at 1.796787 -1.744936 -2.965639 ESP Fit Center 138 is at 1.689982 -2.143538 -2.965639 ESP Fit Center 139 is at 1.796787 -2.542140 -2.965639 ESP Fit Center 140 is at 2.088584 -2.833936 -2.965639 ESP Fit Center 141 is at 2.487186 -2.940741 -2.965639 ESP Fit Center 142 is at 2.894693 -2.143538 -3.092259 ESP Fit Center 143 is at 2.690940 -1.790626 -3.092259 ESP Fit Center 144 is at 2.283433 -1.790626 -3.092259 ESP Fit Center 145 is at 2.079679 -2.143538 -3.092259 ESP Fit Center 146 is at 2.283433 -2.496449 -3.092259 ESP Fit Center 147 is at 2.690940 -2.496449 -3.092259 ESP Fit Center 148 is at 2.487186 -2.143538 -3.135090 ESP Fit Center 149 is at -0.629266 2.742633 2.379472 ESP Fit Center 150 is at -0.221759 2.742633 2.336641 ESP Fit Center 151 is at -0.425512 3.095544 2.336641 ESP Fit Center 152 is at -0.833019 3.095544 2.336641 ESP Fit Center 153 is at -1.036773 2.742633 2.336641 ESP Fit Center 154 is at -0.833019 2.389721 2.336641 ESP Fit Center 155 is at -0.425512 2.389721 2.336641 ESP Fit Center 156 is at 0.167938 2.742633 2.210021 ESP Fit Center 157 is at 0.061133 3.141235 2.210021 ESP Fit Center 158 is at -0.230664 3.433031 2.210021 ESP Fit Center 159 is at -0.629266 3.539837 2.210021 ESP Fit Center 160 is at -1.027868 3.433031 2.210021 ESP Fit Center 161 is at -1.319664 3.141235 2.210021 ESP Fit Center 162 is at -1.426469 2.742633 2.210021 ESP Fit Center 163 is at -1.319664 2.344031 2.210021 ESP Fit Center 164 is at -1.027868 2.052234 2.210021 ESP Fit Center 165 is at -0.629266 1.945429 2.210021 ESP Fit Center 166 is at 0.444997 3.158804 2.005145 ESP Fit Center 167 is at 0.222116 3.518770 2.005145 ESP Fit Center 168 is at -0.115749 3.773914 2.005145 ESP Fit Center 169 is at -0.522967 3.889777 2.005145 ESP Fit Center 170 is at -0.944542 3.850713 2.005145 ESP Fit Center 171 is at -1.323536 3.661996 2.005145 ESP Fit Center 172 is at -1.608766 3.349114 2.005145 ESP Fit Center 173 is at -1.761709 2.954323 2.005145 ESP Fit Center 174 is at -1.761709 2.530942 2.005145 ESP Fit Center 175 is at -1.608766 2.136152 2.005145 ESP Fit Center 176 is at 0.596074 3.530111 1.730968 ESP Fit Center 177 is at 0.324581 3.843430 1.730968 ESP Fit Center 178 is at -0.024187 4.067570 1.730968 ESP Fit Center 179 is at -0.421975 4.184371 1.730968 ESP Fit Center 180 is at -0.836556 4.184371 1.730968 ESP Fit Center 181 is at -1.234344 4.067570 1.730968 ESP Fit Center 182 is at -1.583112 3.843430 1.730968 ESP Fit Center 183 is at -1.854605 3.530111 1.730968 ESP Fit Center 184 is at -2.026828 3.152994 1.730968 ESP Fit Center 185 is at -2.085830 2.742633 1.730968 ESP Fit Center 186 is at -2.026828 2.332271 1.730968 ESP Fit Center 187 is at 0.608093 3.904590 1.399472 ESP Fit Center 188 is at 0.280252 4.175803 1.399472 ESP Fit Center 189 is at -0.104737 4.356965 1.399472 ESP Fit Center 190 is at -0.522684 4.436693 1.399472 ESP Fit Center 191 is at -0.947329 4.409977 1.399472 ESP Fit Center 192 is at -1.351988 4.278495 1.399472 ESP Fit Center 193 is at -1.711235 4.050509 1.399472 ESP Fit Center 194 is at -2.002499 3.740345 1.399472 ESP Fit Center 195 is at -2.207477 3.367491 1.399472 ESP Fit Center 196 is at -2.313291 2.955375 1.399472 ESP Fit Center 197 is at -2.313291 2.529891 1.399472 ESP Fit Center 198 is at 0.532963 4.200022 1.025145 ESP Fit Center 199 is at 0.179524 4.422102 1.025145 ESP Fit Center 200 is at -0.214471 4.559967 1.025145 ESP Fit Center 201 is at -0.629266 4.606703 1.025145 ESP Fit Center 202 is at -1.044060 4.559967 1.025145 ESP Fit Center 203 is at -1.438056 4.422102 1.025145 ESP Fit Center 204 is at -1.791495 4.200022 1.025145 ESP Fit Center 205 is at -2.086655 3.904862 1.025145 ESP Fit Center 206 is at -2.308735 3.551423 1.025145 ESP Fit Center 207 is at -2.446600 3.157427 1.025145 ESP Fit Center 208 is at -2.493336 2.742633 1.025145 ESP Fit Center 209 is at 0.632660 4.228287 0.624348 ESP Fit Center 210 is at 0.283786 4.464830 0.624348 ESP Fit Center 211 is at -0.107783 4.620845 0.624348 ESP Fit Center 212 is at -0.523735 4.689037 0.624348 ESP Fit Center 213 is at -0.944621 4.666217 0.624348 ESP Fit Center 214 is at -1.350762 4.553453 0.624348 ESP Fit Center 215 is at -1.723167 4.356016 0.624348 ESP Fit Center 216 is at -2.044422 4.083140 0.624348 ESP Fit Center 217 is at -2.299506 3.747583 0.624348 ESP Fit Center 218 is at -2.476491 3.365035 0.624348 ESP Fit Center 219 is at -2.567102 2.953385 0.624348 ESP Fit Center 220 is at -2.567102 2.531880 0.624348 ESP Fit Center 221 is at 0.283786 4.464830 0.214596 ESP Fit Center 222 is at -0.107783 4.620845 0.214596 ESP Fit Center 223 is at -0.523735 4.689037 0.214596 ESP Fit Center 224 is at -0.944621 4.666217 0.214596 ESP Fit Center 225 is at -1.350762 4.553453 0.214596 ESP Fit Center 226 is at -1.723167 4.356016 0.214596 ESP Fit Center 227 is at -2.044422 4.083140 0.214596 ESP Fit Center 228 is at -2.299506 3.747583 0.214596 ESP Fit Center 229 is at -2.476491 3.365035 0.214596 ESP Fit Center 230 is at -2.567102 2.953385 0.214596 ESP Fit Center 231 is at -2.567102 2.531880 0.214596 ESP Fit Center 232 is at 0.532963 4.200022 -0.186201 ESP Fit Center 233 is at 0.179524 4.422102 -0.186201 ESP Fit Center 234 is at -0.214471 4.559967 -0.186201 ESP Fit Center 235 is at -0.629266 4.606703 -0.186201 ESP Fit Center 236 is at -1.044060 4.559967 -0.186201 ESP Fit Center 237 is at -1.438056 4.422102 -0.186201 ESP Fit Center 238 is at -1.791495 4.200022 -0.186201 ESP Fit Center 239 is at -2.086655 3.904862 -0.186201 ESP Fit Center 240 is at -2.308735 3.551423 -0.186201 ESP Fit Center 241 is at -2.446600 3.157427 -0.186201 ESP Fit Center 242 is at -2.493336 2.742633 -0.186201 ESP Fit Center 243 is at 0.280252 4.175803 -0.560528 ESP Fit Center 244 is at -0.104737 4.356965 -0.560528 ESP Fit Center 245 is at -0.522684 4.436693 -0.560528 ESP Fit Center 246 is at -0.947329 4.409977 -0.560528 ESP Fit Center 247 is at -1.351988 4.278495 -0.560528 ESP Fit Center 248 is at -1.711235 4.050509 -0.560528 ESP Fit Center 249 is at -2.002499 3.740345 -0.560528 ESP Fit Center 250 is at -2.207477 3.367491 -0.560528 ESP Fit Center 251 is at -2.313291 2.955375 -0.560528 ESP Fit Center 252 is at 0.324581 3.843430 -0.892024 ESP Fit Center 253 is at -0.024187 4.067570 -0.892024 ESP Fit Center 254 is at -0.421975 4.184371 -0.892024 ESP Fit Center 255 is at -0.836556 4.184371 -0.892024 ESP Fit Center 256 is at -1.234344 4.067570 -0.892024 ESP Fit Center 257 is at -1.583112 3.843430 -0.892024 ESP Fit Center 258 is at -1.854605 3.530111 -0.892024 ESP Fit Center 259 is at -2.026828 3.152994 -0.892024 ESP Fit Center 260 is at 0.222116 3.518770 -1.166201 ESP Fit Center 261 is at -0.115749 3.773914 -1.166201 ESP Fit Center 262 is at -0.522967 3.889777 -1.166201 ESP Fit Center 263 is at -0.944542 3.850713 -1.166201 ESP Fit Center 264 is at -1.323536 3.661996 -1.166201 ESP Fit Center 265 is at -1.608766 3.349114 -1.166201 ESP Fit Center 266 is at -1.761709 2.954323 -1.166201 ESP Fit Center 267 is at -0.230664 3.433031 -1.371077 ESP Fit Center 268 is at -0.629266 3.539837 -1.371077 ESP Fit Center 269 is at -1.027868 3.433031 -1.371077 ESP Fit Center 270 is at -1.319664 3.141235 -1.371077 ESP Fit Center 271 is at -0.425512 3.095544 -1.497697 ESP Fit Center 272 is at -0.833019 3.095544 -1.497697 ESP Fit Center 273 is at -1.036773 2.742633 -1.497697 ESP Fit Center 274 is at -0.629266 2.742633 -1.540528 ESP Fit Center 275 is at 0.121631 1.825883 2.350609 ESP Fit Center 276 is at 0.531320 1.825883 2.310258 ESP Fit Center 277 is at 0.326475 2.180684 2.310258 ESP Fit Center 278 is at -0.083214 2.180684 2.310258 ESP Fit Center 279 is at -0.288059 1.825883 2.310258 ESP Fit Center 280 is at -0.083214 1.471081 2.310258 ESP Fit Center 281 is at 0.326475 1.471081 2.310258 ESP Fit Center 282 is at 0.925266 1.825883 2.190756 ESP Fit Center 283 is at 0.817599 2.227700 2.190756 ESP Fit Center 284 is at 0.523448 2.521851 2.190756 ESP Fit Center 285 is at -0.682005 1.825883 2.190756 ESP Fit Center 286 is at -0.574338 1.424065 2.190756 ESP Fit Center 287 is at -0.280187 1.129914 2.190756 ESP Fit Center 288 is at 0.121631 1.022247 2.190756 ESP Fit Center 289 is at 0.523448 1.129914 2.190756 ESP Fit Center 290 is at 0.817599 1.424065 2.190756 ESP Fit Center 291 is at 0.641672 2.870267 1.996696 ESP Fit Center 292 is at -1.025202 1.611502 1.996696 ESP Fit Center 293 is at 0.983830 1.039884 1.996696 ESP Fit Center 294 is at 1.094049 0.703652 1.735534 ESP Fit Center 295 is at 0.332957 3.295692 -1.234315 ESP Fit Center 296 is at 0.229280 2.987603 -1.495477 ESP Fit Center 297 is at -0.197651 2.948042 -1.495477 ESP Fit Center 298 is at 0.523448 2.521851 -1.689538 ESP Fit Center 299 is at 0.121631 2.629518 -1.689538 ESP Fit Center 300 is at -0.280187 2.521851 -1.689538 ESP Fit Center 301 is at -0.574338 2.227700 -1.689538 ESP Fit Center 302 is at 0.523448 1.129914 -1.689538 ESP Fit Center 303 is at 0.531320 1.825883 -1.809040 ESP Fit Center 304 is at 0.326475 2.180684 -1.809040 ESP Fit Center 305 is at -0.083214 2.180684 -1.809040 ESP Fit Center 306 is at -0.288059 1.825883 -1.809040 ESP Fit Center 307 is at -0.083214 1.471081 -1.809040 ESP Fit Center 308 is at 0.326475 1.471081 -1.809040 ESP Fit Center 309 is at 0.121631 1.825883 -1.849391 ESP Fit Center 310 is at 1.481374 2.059917 2.229290 ESP Fit Center 311 is at 1.891064 2.059917 2.188940 ESP Fit Center 312 is at 1.686219 2.414718 2.188940 ESP Fit Center 313 is at 1.276530 2.414718 2.188940 ESP Fit Center 314 is at 1.071685 2.059917 2.188940 ESP Fit Center 315 is at 1.276530 1.705115 2.188940 ESP Fit Center 316 is at 1.686219 1.705115 2.188940 ESP Fit Center 317 is at 2.285010 2.059917 2.069437 ESP Fit Center 318 is at 2.177343 2.461734 2.069437 ESP Fit Center 319 is at 1.883192 2.755885 2.069437 ESP Fit Center 320 is at 1.481374 2.863552 2.069437 ESP Fit Center 321 is at 1.079557 2.755885 2.069437 ESP Fit Center 322 is at 1.079557 1.363948 2.069437 ESP Fit Center 323 is at 1.481374 1.256281 2.069437 ESP Fit Center 324 is at 1.883192 1.363948 2.069437 ESP Fit Center 325 is at 2.177343 1.658099 2.069437 ESP Fit Center 326 is at 2.648072 2.059917 1.875377 ESP Fit Center 327 is at 2.569287 2.481376 1.875377 ESP Fit Center 328 is at 2.343574 2.845916 1.875377 ESP Fit Center 329 is at 2.001416 3.104301 1.875377 ESP Fit Center 330 is at 1.589024 3.221637 1.875377 ESP Fit Center 331 is at 1.162093 3.182076 1.875377 ESP Fit Center 332 is at 0.778282 2.990961 1.875377 ESP Fit Center 333 is at 1.162093 0.937757 1.875377 ESP Fit Center 334 is at 1.589024 0.898196 1.875377 ESP Fit Center 335 is at 2.906149 2.478268 1.614215 ESP Fit Center 336 is at 2.730572 2.862727 1.614215 ESP Fit Center 337 is at 0.864515 3.410651 1.614215 ESP Fit Center 338 is at 0.862204 3.692536 -1.037407 ESP Fit Center 339 is at 0.489484 3.496917 -1.037407 ESP Fit Center 340 is at 2.730572 2.862727 -1.355634 ESP Fit Center 341 is at 2.453793 3.182147 -1.355634 ESP Fit Center 342 is at 1.270048 3.529726 -1.355634 ESP Fit Center 343 is at 0.864515 3.410651 -1.355634 ESP Fit Center 344 is at 0.508956 3.182147 -1.355634 ESP Fit Center 345 is at 2.343574 2.845916 -1.616796 ESP Fit Center 346 is at 2.001416 3.104301 -1.616796 ESP Fit Center 347 is at 1.589024 3.221637 -1.616796 ESP Fit Center 348 is at 1.162093 3.182076 -1.616796 ESP Fit Center 349 is at 0.778282 2.990961 -1.616796 ESP Fit Center 350 is at 2.177343 2.461734 -1.810857 ESP Fit Center 351 is at 1.883192 2.755885 -1.810857 ESP Fit Center 352 is at 1.481374 2.863552 -1.810857 ESP Fit Center 353 is at 1.079557 2.755885 -1.810857 ESP Fit Center 354 is at 0.785406 2.461734 -1.810857 ESP Fit Center 355 is at 0.677739 2.059917 -1.810857 ESP Fit Center 356 is at 0.785406 1.658099 -1.810857 ESP Fit Center 357 is at 1.079557 1.363948 -1.810857 ESP Fit Center 358 is at 1.891064 2.059917 -1.930359 ESP Fit Center 359 is at 1.686219 2.414718 -1.930359 ESP Fit Center 360 is at 1.276530 2.414718 -1.930359 ESP Fit Center 361 is at 1.071685 2.059917 -1.930359 ESP Fit Center 362 is at 1.276530 1.705115 -1.930359 ESP Fit Center 363 is at 1.686219 1.705115 -1.930359 ESP Fit Center 364 is at 1.481374 2.059917 -1.970710 ESP Fit Center 365 is at 2.482564 1.146168 2.049957 ESP Fit Center 366 is at 2.892254 1.146168 2.009606 ESP Fit Center 367 is at 2.687409 1.500970 2.009606 ESP Fit Center 368 is at 2.277719 1.500970 2.009606 ESP Fit Center 369 is at 2.072874 1.146168 2.009606 ESP Fit Center 370 is at 2.277719 0.791366 2.009606 ESP Fit Center 371 is at 2.687409 0.791366 2.009606 ESP Fit Center 372 is at 3.286199 1.146168 1.890104 ESP Fit Center 373 is at 3.178533 1.547986 1.890104 ESP Fit Center 374 is at 2.884382 1.842136 1.890104 ESP Fit Center 375 is at 1.786596 0.744350 1.890104 ESP Fit Center 376 is at 2.080747 0.450199 1.890104 ESP Fit Center 377 is at 2.482564 0.342533 1.890104 ESP Fit Center 378 is at 2.884382 0.450199 1.890104 ESP Fit Center 379 is at 3.178533 0.744350 1.890104 ESP Fit Center 380 is at 3.002606 2.190553 1.696043 ESP Fit Center 381 is at 2.693891 2.615978 -1.534968 ESP Fit Center 382 is at 2.590213 2.307888 -1.796130 ESP Fit Center 383 is at 2.884382 1.842136 -1.990190 ESP Fit Center 384 is at 2.482564 1.949803 -1.990190 ESP Fit Center 385 is at 2.080747 1.842136 -1.990190 ESP Fit Center 386 is at 1.786596 1.547986 -1.990190 ESP Fit Center 387 is at 1.678929 1.146168 -1.990190 ESP Fit Center 388 is at 2.884382 0.450199 -1.990190 ESP Fit Center 389 is at 3.178533 0.744350 -1.990190 ESP Fit Center 390 is at 2.892254 1.146168 -2.109692 ESP Fit Center 391 is at 2.687409 1.500970 -2.109692 ESP Fit Center 392 is at 2.277719 1.500970 -2.109692 ESP Fit Center 393 is at 2.072874 1.146168 -2.109692 ESP Fit Center 394 is at 2.277719 0.791366 -2.109692 ESP Fit Center 395 is at 2.687409 0.791366 -2.109692 ESP Fit Center 396 is at 2.482564 1.146168 -2.150043 ESP Fit Center 397 is at 3.637243 1.465396 1.855960 ESP Fit Center 398 is at 4.044750 1.465396 1.813130 ESP Fit Center 399 is at 3.840996 1.818307 1.813130 ESP Fit Center 400 is at 3.433489 1.818307 1.813130 ESP Fit Center 401 is at 3.840996 1.112484 1.813130 ESP Fit Center 402 is at 4.434447 1.465396 1.686509 ESP Fit Center 403 is at 4.327642 1.863998 1.686509 ESP Fit Center 404 is at 4.035845 2.155794 1.686509 ESP Fit Center 405 is at 3.637243 2.262599 1.686509 ESP Fit Center 406 is at 3.238641 2.155794 1.686509 ESP Fit Center 407 is at 3.637243 0.668192 1.686509 ESP Fit Center 408 is at 4.035845 0.774997 1.686509 ESP Fit Center 409 is at 4.327642 1.066794 1.686509 ESP Fit Center 410 is at 4.789302 1.465396 1.481634 ESP Fit Center 411 is at 4.711506 1.881567 1.481634 ESP Fit Center 412 is at 4.488625 2.241533 1.481634 ESP Fit Center 413 is at 4.150760 2.496677 1.481634 ESP Fit Center 414 is at 3.743541 2.612540 1.481634 ESP Fit Center 415 is at 3.321967 2.573476 1.481634 ESP Fit Center 416 is at 4.488625 0.689258 1.481634 ESP Fit Center 417 is at 4.711506 1.049224 1.481634 ESP Fit Center 418 is at 5.093807 1.465396 1.207456 ESP Fit Center 419 is at 5.034806 1.875757 1.207456 ESP Fit Center 420 is at 4.862582 2.252873 1.207456 ESP Fit Center 421 is at 4.591089 2.566193 1.207456 ESP Fit Center 422 is at 4.242321 2.790333 1.207456 ESP Fit Center 423 is at 3.844533 2.907134 1.207456 ESP Fit Center 424 is at 3.429952 2.907134 1.207456 ESP Fit Center 425 is at 4.862582 0.677918 1.207456 ESP Fit Center 426 is at 5.034806 1.055034 1.207456 ESP Fit Center 427 is at 5.334653 1.465396 0.875960 ESP Fit Center 428 is at 5.281325 1.887524 0.875960 ESP Fit Center 429 is at 5.124694 2.283129 0.875960 ESP Fit Center 430 is at 4.874601 2.627353 0.875960 ESP Fit Center 431 is at 4.546760 2.898566 0.875960 ESP Fit Center 432 is at 4.161771 3.079728 0.875960 ESP Fit Center 433 is at 3.743824 3.159456 0.875960 ESP Fit Center 434 is at 3.319180 3.132740 0.875960 ESP Fit Center 435 is at 4.874601 0.303439 0.875960 ESP Fit Center 436 is at 5.124694 0.647662 0.875960 ESP Fit Center 437 is at 5.281325 1.043267 0.875960 ESP Fit Center 438 is at 5.501314 1.465396 0.501634 ESP Fit Center 439 is at 5.454577 1.880190 0.501634 ESP Fit Center 440 is at 5.316713 2.274186 0.501634 ESP Fit Center 441 is at 5.094632 2.627625 0.501634 ESP Fit Center 442 is at 4.799472 2.922785 0.501634 ESP Fit Center 443 is at 4.446033 3.144865 0.501634 ESP Fit Center 444 is at 4.052038 3.282730 0.501634 ESP Fit Center 445 is at 3.637243 3.329466 0.501634 ESP Fit Center 446 is at 4.799472 0.008006 0.501634 ESP Fit Center 447 is at 5.094632 0.303166 0.501634 ESP Fit Center 448 is at 5.316713 0.656606 0.501634 ESP Fit Center 449 is at 5.454577 1.050601 0.501634 ESP Fit Center 450 is at 5.586506 1.465396 0.100836 ESP Fit Center 451 is at 5.540933 1.884430 0.100836 ESP Fit Center 452 is at 5.406346 2.283870 0.100836 ESP Fit Center 453 is at 5.189037 2.645039 0.100836 ESP Fit Center 454 is at 4.899169 2.951050 0.100836 ESP Fit Center 455 is at 4.550294 3.187593 0.100836 ESP Fit Center 456 is at 4.158726 3.343608 0.100836 ESP Fit Center 457 is at 3.742774 3.411800 0.100836 ESP Fit Center 458 is at 5.189037 0.285752 0.100836 ESP Fit Center 459 is at 5.406346 0.646921 0.100836 ESP Fit Center 460 is at 5.540933 1.046362 0.100836 ESP Fit Center 461 is at 5.586506 1.465396 -0.308915 ESP Fit Center 462 is at 5.540933 1.884430 -0.308915 ESP Fit Center 463 is at 5.406346 2.283870 -0.308915 ESP Fit Center 464 is at 5.189037 2.645039 -0.308915 ESP Fit Center 465 is at 4.899169 2.951050 -0.308915 ESP Fit Center 466 is at 4.550294 3.187593 -0.308915 ESP Fit Center 467 is at 4.158726 3.343608 -0.308915 ESP Fit Center 468 is at 3.742774 3.411800 -0.308915 ESP Fit Center 469 is at 5.189037 0.285752 -0.308915 ESP Fit Center 470 is at 5.406346 0.646921 -0.308915 ESP Fit Center 471 is at 5.540933 1.046362 -0.308915 ESP Fit Center 472 is at 5.501314 1.465396 -0.709713 ESP Fit Center 473 is at 5.454577 1.880190 -0.709713 ESP Fit Center 474 is at 5.316713 2.274186 -0.709713 ESP Fit Center 475 is at 5.094632 2.627625 -0.709713 ESP Fit Center 476 is at 4.799472 2.922785 -0.709713 ESP Fit Center 477 is at 4.446033 3.144865 -0.709713 ESP Fit Center 478 is at 4.052038 3.282730 -0.709713 ESP Fit Center 479 is at 3.637243 3.329466 -0.709713 ESP Fit Center 480 is at 3.222448 3.282730 -0.709713 ESP Fit Center 481 is at 5.316713 0.656606 -0.709713 ESP Fit Center 482 is at 5.454577 1.050601 -0.709713 ESP Fit Center 483 is at 5.334653 1.465396 -1.084040 ESP Fit Center 484 is at 5.281325 1.887524 -1.084040 ESP Fit Center 485 is at 5.124694 2.283129 -1.084040 ESP Fit Center 486 is at 4.874601 2.627353 -1.084040 ESP Fit Center 487 is at 4.546760 2.898566 -1.084040 ESP Fit Center 488 is at 4.161771 3.079728 -1.084040 ESP Fit Center 489 is at 3.743824 3.159456 -1.084040 ESP Fit Center 490 is at 3.319180 3.132740 -1.084040 ESP Fit Center 491 is at 2.914521 3.001258 -1.084040 ESP Fit Center 492 is at 5.124694 0.647662 -1.084040 ESP Fit Center 493 is at 5.281325 1.043267 -1.084040 ESP Fit Center 494 is at 5.093807 1.465396 -1.415536 ESP Fit Center 495 is at 5.034806 1.875757 -1.415536 ESP Fit Center 496 is at 4.862582 2.252873 -1.415536 ESP Fit Center 497 is at 4.591089 2.566193 -1.415536 ESP Fit Center 498 is at 4.242321 2.790333 -1.415536 ESP Fit Center 499 is at 3.844533 2.907134 -1.415536 ESP Fit Center 500 is at 3.429952 2.907134 -1.415536 ESP Fit Center 501 is at 3.032164 2.790333 -1.415536 ESP Fit Center 502 is at 4.862582 0.677918 -1.415536 ESP Fit Center 503 is at 5.034806 1.055034 -1.415536 ESP Fit Center 504 is at 4.789302 1.465396 -1.689713 ESP Fit Center 505 is at 4.711506 1.881567 -1.689713 ESP Fit Center 506 is at 4.488625 2.241533 -1.689713 ESP Fit Center 507 is at 4.150760 2.496677 -1.689713 ESP Fit Center 508 is at 3.743541 2.612540 -1.689713 ESP Fit Center 509 is at 3.321967 2.573476 -1.689713 ESP Fit Center 510 is at 2.942972 2.384759 -1.689713 ESP Fit Center 511 is at 4.488625 0.689258 -1.689713 ESP Fit Center 512 is at 4.711506 1.049224 -1.689713 ESP Fit Center 513 is at 4.434447 1.465396 -1.894589 ESP Fit Center 514 is at 4.327642 1.863998 -1.894589 ESP Fit Center 515 is at 4.035845 2.155794 -1.894589 ESP Fit Center 516 is at 3.637243 2.262599 -1.894589 ESP Fit Center 517 is at 3.238641 2.155794 -1.894589 ESP Fit Center 518 is at 3.637243 0.668192 -1.894589 ESP Fit Center 519 is at 4.035845 0.774997 -1.894589 ESP Fit Center 520 is at 4.327642 1.066794 -1.894589 ESP Fit Center 521 is at 4.044750 1.465396 -2.021209 ESP Fit Center 522 is at 3.840996 1.818307 -2.021209 ESP Fit Center 523 is at 3.433489 1.818307 -2.021209 ESP Fit Center 524 is at 3.229736 1.465396 -2.021209 ESP Fit Center 525 is at 3.433489 1.112484 -2.021209 ESP Fit Center 526 is at 3.840996 1.112484 -2.021209 ESP Fit Center 527 is at 3.637243 1.465396 -2.064040 ESP Fit Center 528 is at 2.049610 -0.149816 1.950492 ESP Fit Center 529 is at 2.459299 -0.149816 1.910141 ESP Fit Center 530 is at 2.254455 0.204985 1.910141 ESP Fit Center 531 is at 1.844765 0.204985 1.910141 ESP Fit Center 532 is at 1.639920 -0.149816 1.910141 ESP Fit Center 533 is at 1.844765 -0.504618 1.910141 ESP Fit Center 534 is at 1.647792 0.546152 1.790639 ESP Fit Center 535 is at 1.077191 0.972415 -1.634433 ESP Fit Center 536 is at 1.346517 0.781228 -1.895595 ESP Fit Center 537 is at 1.057664 0.464371 -1.895595 ESP Fit Center 538 is at 2.745578 0.252001 -2.089655 ESP Fit Center 539 is at 2.451427 0.546152 -2.089655 ESP Fit Center 540 is at 2.049610 0.653819 -2.089655 ESP Fit Center 541 is at 1.647792 0.546152 -2.089655 ESP Fit Center 542 is at 1.353641 0.252001 -2.089655 ESP Fit Center 543 is at 1.245975 -0.149816 -2.089655 ESP Fit Center 544 is at 1.353641 -0.551634 -2.089655 ESP Fit Center 545 is at 2.459299 -0.149816 -2.209158 ESP Fit Center 546 is at 2.254455 0.204985 -2.209158 ESP Fit Center 547 is at 1.844765 0.204985 -2.209158 ESP Fit Center 548 is at 1.639920 -0.149816 -2.209158 ESP Fit Center 549 is at 1.844765 -0.504618 -2.209158 ESP Fit Center 550 is at 2.049610 -0.149816 -2.249508 ESP Fit Center 551 is at 0.709342 -0.475645 2.067403 ESP Fit Center 552 is at 1.119032 -0.475645 2.027052 ESP Fit Center 553 is at 0.914187 -0.120843 2.027052 ESP Fit Center 554 is at 0.299653 -0.475645 2.027052 ESP Fit Center 555 is at 0.504498 -0.830446 2.027052 ESP Fit Center 556 is at 0.914187 -0.830446 2.027052 ESP Fit Center 557 is at 1.512978 -0.475645 1.907550 ESP Fit Center 558 is at 1.405311 -0.073827 1.907550 ESP Fit Center 559 is at 1.111160 0.220324 1.907550 ESP Fit Center 560 is at 0.013374 -0.877462 1.907550 ESP Fit Center 561 is at 0.307525 -1.171613 1.907550 ESP Fit Center 562 is at 0.709342 -1.279280 1.907550 ESP Fit Center 563 is at 1.111160 -1.171613 1.907550 ESP Fit Center 564 is at 1.405311 -0.877462 1.907550 ESP Fit Center 565 is at 1.229384 0.568740 1.713489 ESP Fit Center 566 is at 0.006250 -1.406690 1.713489 ESP Fit Center 567 is at 0.390061 -1.597804 1.713489 ESP Fit Center 568 is at 0.816992 -1.637365 1.713489 ESP Fit Center 569 is at 0.920669 -1.945455 1.452327 ESP Fit Center 570 is at -0.836740 -1.287092 -1.199295 ESP Fit Center 571 is at -0.539855 -1.278455 -1.517521 ESP Fit Center 572 is at 0.816992 0.686076 -1.778683 ESP Fit Center 573 is at -0.437490 -0.690025 -1.778683 ESP Fit Center 574 is at -0.282604 -1.089832 -1.778683 ESP Fit Center 575 is at 0.006250 -1.406690 -1.778683 ESP Fit Center 576 is at 0.709342 0.327990 -1.972744 ESP Fit Center 577 is at 0.307525 0.220324 -1.972744 ESP Fit Center 578 is at 0.013374 -0.073827 -1.972744 ESP Fit Center 579 is at -0.094293 -0.475645 -1.972744 ESP Fit Center 580 is at 0.013374 -0.877462 -1.972744 ESP Fit Center 581 is at 0.307525 -1.171613 -1.972744 ESP Fit Center 582 is at 0.709342 -1.279280 -1.972744 ESP Fit Center 583 is at 1.119032 -0.475645 -2.092246 ESP Fit Center 584 is at 0.914187 -0.120843 -2.092246 ESP Fit Center 585 is at 0.504498 -0.120843 -2.092246 ESP Fit Center 586 is at 0.299653 -0.475645 -2.092246 ESP Fit Center 587 is at 0.504498 -0.830446 -2.092246 ESP Fit Center 588 is at 0.914187 -0.830446 -2.092246 ESP Fit Center 589 is at 0.709342 -0.475645 -2.132597 ESP Fit Center 590 is at -0.266661 0.411243 2.259116 ESP Fit Center 591 is at 0.143029 0.411243 2.218765 ESP Fit Center 592 is at -0.061816 0.766044 2.218765 ESP Fit Center 593 is at -0.471506 0.766044 2.218765 ESP Fit Center 594 is at -0.676351 0.411243 2.218765 ESP Fit Center 595 is at -0.471506 0.056441 2.218765 ESP Fit Center 596 is at -0.061816 0.056441 2.218765 ESP Fit Center 597 is at 0.536974 0.411243 2.099263 ESP Fit Center 598 is at 0.429307 0.813060 2.099263 ESP Fit Center 599 is at -0.668479 1.107211 2.099263 ESP Fit Center 600 is at -0.266661 -0.392392 2.099263 ESP Fit Center 601 is at 0.135157 -0.284726 2.099263 ESP Fit Center 602 is at 0.429307 0.009425 2.099263 ESP Fit Center 603 is at 0.900036 0.411243 1.905202 ESP Fit Center 604 is at -0.159012 -0.750478 1.905202 ESP Fit Center 605 is at 0.429307 0.813060 -1.781031 ESP Fit Center 606 is at 0.135157 1.107211 -1.781031 ESP Fit Center 607 is at -0.266661 1.214878 -1.781031 ESP Fit Center 608 is at 0.143029 0.411243 -1.900533 ESP Fit Center 609 is at -0.061816 0.766044 -1.900533 ESP Fit Center 610 is at -0.471506 0.766044 -1.900533 ESP Fit Center 611 is at -0.471506 0.056441 -1.900533 ESP Fit Center 612 is at -0.266661 0.411243 -1.940884 ESP Fit Center 613 is at 5.010986 -0.291683 0.405199 ESP Fit Center 614 is at 5.358188 -0.720816 0.057260 ESP Fit Center 615 is at 5.293550 -0.291970 0.057260 ESP Fit Center 616 is at 5.105379 0.098771 0.057260 ESP Fit Center 617 is at 5.293550 -1.149662 0.057260 ESP Fit Center 618 is at 5.526021 -0.720816 -0.347924 ESP Fit Center 619 is at 5.470726 -0.300816 -0.347924 ESP Fit Center 620 is at 5.308613 0.090562 -0.347924 ESP Fit Center 621 is at 5.308613 -1.532193 -0.347924 ESP Fit Center 622 is at 5.470726 -1.140816 -0.347924 ESP Fit Center 623 is at 5.583265 -0.720816 -0.782740 ESP Fit Center 624 is at 5.530485 -0.303017 -0.782740 ESP Fit Center 625 is at 5.375460 0.088530 -0.782740 ESP Fit Center 626 is at 5.127932 -1.870855 -0.782740 ESP Fit Center 627 is at 5.375460 -1.530162 -0.782740 ESP Fit Center 628 is at 5.530485 -1.138615 -0.782740 ESP Fit Center 629 is at 5.526021 -0.720816 -1.217556 ESP Fit Center 630 is at 5.470726 -0.300816 -1.217556 ESP Fit Center 631 is at 5.308613 0.090562 -1.217556 ESP Fit Center 632 is at 5.050726 0.426646 -1.217556 ESP Fit Center 633 is at 4.714643 -2.126163 -1.217556 ESP Fit Center 634 is at 5.050726 -1.868277 -1.217556 ESP Fit Center 635 is at 5.308613 -1.532193 -1.217556 ESP Fit Center 636 is at 5.470726 -1.140816 -1.217556 ESP Fit Center 637 is at 5.358188 -0.720816 -1.622740 ESP Fit Center 638 is at 5.293550 -0.291970 -1.622740 ESP Fit Center 639 is at 5.105379 0.098771 -1.622740 ESP Fit Center 640 is at 4.810395 0.416689 -1.622740 ESP Fit Center 641 is at 4.810395 -1.858320 -1.622740 ESP Fit Center 642 is at 5.105379 -1.540403 -1.622740 ESP Fit Center 643 is at 5.293550 -1.149662 -1.622740 ESP Fit Center 644 is at 5.091205 -0.720816 -1.970679 ESP Fit Center 645 is at 5.010986 -0.291683 -1.970679 ESP Fit Center 646 is at 4.781163 0.079494 -1.970679 ESP Fit Center 647 is at 4.432775 0.342584 -1.970679 ESP Fit Center 648 is at 4.012874 0.462056 -1.970679 ESP Fit Center 649 is at 3.578170 0.421775 -1.970679 ESP Fit Center 650 is at 3.187372 0.227180 -1.970679 ESP Fit Center 651 is at 4.432775 -1.784215 -1.970679 ESP Fit Center 652 is at 4.781163 -1.521125 -1.970679 ESP Fit Center 653 is at 5.010986 -1.149949 -1.970679 ESP Fit Center 654 is at 4.743265 -0.720816 -2.237663 ESP Fit Center 655 is at 4.630726 -0.300816 -2.237663 ESP Fit Center 656 is at 4.323265 0.006646 -2.237663 ESP Fit Center 657 is at 3.903265 0.119184 -2.237663 ESP Fit Center 658 is at 3.483265 0.006646 -2.237663 ESP Fit Center 659 is at 3.175804 -0.300816 -2.237663 ESP Fit Center 660 is at 4.323265 -1.448277 -2.237663 ESP Fit Center 661 is at 4.630726 -1.140816 -2.237663 ESP Fit Center 662 is at 4.338081 -0.720816 -2.405495 ESP Fit Center 663 is at 4.120673 -0.344254 -2.405495 ESP Fit Center 664 is at 3.685857 -0.344254 -2.405495 ESP Fit Center 665 is at 3.468449 -0.720816 -2.405495 ESP Fit Center 666 is at 3.685857 -1.097377 -2.405495 ESP Fit Center 667 is at 4.120673 -1.097377 -2.405495 ESP Fit Center 668 is at 3.903265 -0.720816 -2.462740 ESP Fit Center 669 is at 3.882741 -1.049265 3.341151 ESP Fit Center 670 is at 4.317557 -1.049265 3.283906 ESP Fit Center 671 is at 4.100149 -0.672703 3.283906 ESP Fit Center 672 is at 3.665333 -0.672703 3.283906 ESP Fit Center 673 is at 3.447925 -1.049265 3.283906 ESP Fit Center 674 is at 3.665333 -1.425826 3.283906 ESP Fit Center 675 is at 4.100149 -1.425826 3.283906 ESP Fit Center 676 is at 4.722741 -1.049265 3.116074 ESP Fit Center 677 is at 4.610202 -0.629265 3.116074 ESP Fit Center 678 is at 4.302741 -0.321803 3.116074 ESP Fit Center 679 is at 3.882741 -0.209265 3.116074 ESP Fit Center 680 is at 3.462741 -0.321803 3.116074 ESP Fit Center 681 is at 3.155279 -0.629265 3.116074 ESP Fit Center 682 is at 3.042741 -1.049265 3.116074 ESP Fit Center 683 is at 3.155279 -1.469265 3.116074 ESP Fit Center 684 is at 3.462741 -1.776726 3.116074 ESP Fit Center 685 is at 3.882741 -1.889265 3.116074 ESP Fit Center 686 is at 4.302741 -1.776726 3.116074 ESP Fit Center 687 is at 4.610202 -1.469265 3.116074 ESP Fit Center 688 is at 5.070680 -1.049265 2.849090 ESP Fit Center 689 is at 4.990461 -0.620132 2.849090 ESP Fit Center 690 is at 4.760638 -0.248955 2.849090 ESP Fit Center 691 is at 4.412251 0.014135 2.849090 ESP Fit Center 692 is at 3.992350 0.133607 2.849090 ESP Fit Center 693 is at 3.557646 0.093326 2.849090 ESP Fit Center 694 is at 3.166847 -0.101269 2.849090 ESP Fit Center 695 is at 2.872734 -0.423895 2.849090 ESP Fit Center 696 is at 2.715028 -0.830981 2.849090 ESP Fit Center 697 is at 4.760638 -1.849574 2.849090 ESP Fit Center 698 is at 4.990461 -1.478398 2.849090 ESP Fit Center 699 is at 5.337663 -1.049265 2.501151 ESP Fit Center 700 is at 5.273025 -0.620419 2.501151 ESP Fit Center 701 is at 5.084854 -0.229678 2.501151 ESP Fit Center 702 is at 4.789870 0.088240 2.501151 ESP Fit Center 703 is at 4.414284 0.305085 2.501151 ESP Fit Center 704 is at 3.991467 0.401590 2.501151 ESP Fit Center 705 is at 3.558990 0.369180 2.501151 ESP Fit Center 706 is at 3.155279 0.210735 2.501151 ESP Fit Center 707 is at 2.816207 -0.059666 2.501151 ESP Fit Center 708 is at 2.571901 -0.417997 2.501151 ESP Fit Center 709 is at 5.084854 -1.868852 2.501151 ESP Fit Center 710 is at 5.273025 -1.478111 2.501151 ESP Fit Center 711 is at 5.505496 -1.049265 2.095967 ESP Fit Center 712 is at 5.450202 -0.629265 2.095967 ESP Fit Center 713 is at 5.288088 -0.237887 2.095967 ESP Fit Center 714 is at 5.030202 0.098197 2.095967 ESP Fit Center 715 is at 4.694118 0.356083 2.095967 ESP Fit Center 716 is at 4.302741 0.518197 2.095967 ESP Fit Center 717 is at 3.882741 0.573491 2.095967 ESP Fit Center 718 is at 3.462741 0.518197 2.095967 ESP Fit Center 719 is at 3.071363 0.356083 2.095967 ESP Fit Center 720 is at 2.735279 0.098197 2.095967 ESP Fit Center 721 is at 2.477393 -0.237887 2.095967 ESP Fit Center 722 is at 5.288088 -1.860642 2.095967 ESP Fit Center 723 is at 5.450202 -1.469265 2.095967 ESP Fit Center 724 is at 5.562741 -1.049265 1.661151 ESP Fit Center 725 is at 5.509960 -0.631466 1.661151 ESP Fit Center 726 is at 5.354936 -0.239919 1.661151 ESP Fit Center 727 is at 5.107408 0.100774 1.661151 ESP Fit Center 728 is at 4.782930 0.369206 1.661151 ESP Fit Center 729 is at 4.401889 0.548510 1.661151 ESP Fit Center 730 is at 3.988229 0.627420 1.661151 ESP Fit Center 731 is at 5.509960 -1.467064 1.661151 ESP Fit Center 732 is at 5.505496 -1.049265 1.226335 ESP Fit Center 733 is at 5.450202 -0.629265 1.226335 ESP Fit Center 734 is at 5.288088 -0.237887 1.226335 ESP Fit Center 735 is at 5.030202 0.098197 1.226335 ESP Fit Center 736 is at 4.694118 0.356083 1.226335 ESP Fit Center 737 is at 5.273025 -0.620419 0.821151 ESP Fit Center 738 is at 5.084854 -0.229678 0.821151 ESP Fit Center 739 is at 4.789870 0.088240 0.821151 ESP Fit Center 740 is at 4.428504 -2.954390 2.484561 ESP Fit Center 741 is at 5.051096 -2.577829 2.316728 ESP Fit Center 742 is at 4.211096 -3.417829 2.316728 ESP Fit Center 743 is at 4.631096 -3.305290 2.316728 ESP Fit Center 744 is at 4.938557 -2.997829 2.316728 ESP Fit Center 745 is at 5.399035 -2.577829 2.049745 ESP Fit Center 746 is at 5.318816 -2.148696 2.049745 ESP Fit Center 747 is at 3.886001 -3.720419 2.049745 ESP Fit Center 748 is at 4.320705 -3.760701 2.049745 ESP Fit Center 749 is at 4.740606 -3.641228 2.049745 ESP Fit Center 750 is at 5.088994 -3.378138 2.049745 ESP Fit Center 751 is at 5.318816 -3.006962 2.049745 ESP Fit Center 752 is at 5.666019 -2.577829 1.701806 ESP Fit Center 753 is at 5.601380 -2.148983 1.701806 ESP Fit Center 754 is at 3.483634 -3.837829 1.701806 ESP Fit Center 755 is at 3.887345 -3.996273 1.701806 ESP Fit Center 756 is at 4.319822 -4.028683 1.701806 ESP Fit Center 757 is at 4.742639 -3.932178 1.701806 ESP Fit Center 758 is at 5.118225 -3.715333 1.701806 ESP Fit Center 759 is at 5.413209 -3.397416 1.701806 ESP Fit Center 760 is at 5.601380 -3.006675 1.701806 ESP Fit Center 761 is at 5.833851 -2.577829 1.296622 ESP Fit Center 762 is at 5.778557 -2.157829 1.296622 ESP Fit Center 763 is at 5.616443 -1.766451 1.296622 ESP Fit Center 764 is at 3.399718 -3.983176 1.296622 ESP Fit Center 765 is at 3.791096 -4.145290 1.296622 ESP Fit Center 766 is at 4.211096 -4.200584 1.296622 ESP Fit Center 767 is at 4.631096 -4.145290 1.296622 ESP Fit Center 768 is at 5.022474 -3.983176 1.296622 ESP Fit Center 769 is at 5.358557 -3.725290 1.296622 ESP Fit Center 770 is at 5.616443 -3.389206 1.296622 ESP Fit Center 771 is at 5.778557 -2.997829 1.296622 ESP Fit Center 772 is at 5.891096 -2.577829 0.861806 ESP Fit Center 773 is at 5.838316 -2.160030 0.861806 ESP Fit Center 774 is at 5.683291 -1.768483 0.861806 ESP Fit Center 775 is at 3.495787 -4.097938 0.861806 ESP Fit Center 776 is at 3.896295 -4.228071 0.861806 ESP Fit Center 777 is at 4.316584 -4.254514 0.861806 ESP Fit Center 778 is at 4.730244 -4.175604 0.861806 ESP Fit Center 779 is at 5.111285 -3.996300 0.861806 ESP Fit Center 780 is at 5.435763 -3.727868 0.861806 ESP Fit Center 781 is at 5.683291 -3.387175 0.861806 ESP Fit Center 782 is at 5.838316 -2.995628 0.861806 ESP Fit Center 783 is at 5.833851 -2.577829 0.426990 ESP Fit Center 784 is at 5.778557 -2.157829 0.426990 ESP Fit Center 785 is at 5.616443 -1.766451 0.426990 ESP Fit Center 786 is at 3.399718 -3.983176 0.426990 ESP Fit Center 787 is at 3.791096 -4.145290 0.426990 ESP Fit Center 788 is at 4.211096 -4.200584 0.426990 ESP Fit Center 789 is at 4.631096 -4.145290 0.426990 ESP Fit Center 790 is at 5.022474 -3.983176 0.426990 ESP Fit Center 791 is at 5.358557 -3.725290 0.426990 ESP Fit Center 792 is at 5.616443 -3.389206 0.426990 ESP Fit Center 793 is at 5.778557 -2.997829 0.426990 ESP Fit Center 794 is at 5.666019 -2.577829 0.021806 ESP Fit Center 795 is at 5.601380 -2.148983 0.021806 ESP Fit Center 796 is at 5.413209 -1.758242 0.021806 ESP Fit Center 797 is at 3.483634 -3.837829 0.021806 ESP Fit Center 798 is at 3.887345 -3.996273 0.021806 ESP Fit Center 799 is at 4.319822 -4.028683 0.021806 ESP Fit Center 800 is at 4.742639 -3.932178 0.021806 ESP Fit Center 801 is at 5.118225 -3.715333 0.021806 ESP Fit Center 802 is at 5.413209 -3.397416 0.021806 ESP Fit Center 803 is at 5.601380 -3.006675 0.021806 ESP Fit Center 804 is at 5.399035 -2.577829 -0.326134 ESP Fit Center 805 is at 5.318816 -2.148696 -0.326134 ESP Fit Center 806 is at 4.320705 -3.760701 -0.326134 ESP Fit Center 807 is at 4.740606 -3.641228 -0.326134 ESP Fit Center 808 is at 5.088994 -3.378138 -0.326134 ESP Fit Center 809 is at 5.318816 -3.006962 -0.326134 ESP Fit Center 810 is at 5.051096 -2.577829 -0.593117 ESP Fit Center 811 is at 4.938557 -2.157829 -0.593117 ESP Fit Center 812 is at 4.631096 -3.305290 -0.593117 ESP Fit Center 813 is at 4.938557 -2.997829 -0.593117 ESP Fit Center 814 is at 1.994477 3.387207 1.824165 ESP Fit Center 815 is at 1.559661 3.387207 1.824165 ESP Fit Center 816 is at 2.617069 3.010645 1.656333 ESP Fit Center 817 is at 2.504530 3.430645 1.656333 ESP Fit Center 818 is at 2.197069 3.738106 1.656333 ESP Fit Center 819 is at 1.777069 3.850645 1.656333 ESP Fit Center 820 is at 1.357069 3.738106 1.656333 ESP Fit Center 821 is at 2.965008 3.010645 1.389349 ESP Fit Center 822 is at 2.884789 3.439778 1.389349 ESP Fit Center 823 is at 2.654967 3.810955 1.389349 ESP Fit Center 824 is at 2.306579 4.074045 1.389349 ESP Fit Center 825 is at 1.886678 4.193517 1.389349 ESP Fit Center 826 is at 1.451974 4.153236 1.389349 ESP Fit Center 827 is at 1.061175 3.958641 1.389349 ESP Fit Center 828 is at 3.231992 3.010645 1.041410 ESP Fit Center 829 is at 3.167353 3.439491 1.041410 ESP Fit Center 830 is at 2.979182 3.830232 1.041410 ESP Fit Center 831 is at 2.684198 4.148149 1.041410 ESP Fit Center 832 is at 2.308612 4.364994 1.041410 ESP Fit Center 833 is at 1.885795 4.461500 1.041410 ESP Fit Center 834 is at 1.453318 4.429090 1.041410 ESP Fit Center 835 is at 1.049608 4.270645 1.041410 ESP Fit Center 836 is at 3.344530 3.430645 0.636226 ESP Fit Center 837 is at 3.182416 3.822023 0.636226 ESP Fit Center 838 is at 2.924530 4.158106 0.636226 ESP Fit Center 839 is at 2.588447 4.415993 0.636226 ESP Fit Center 840 is at 2.197069 4.578106 0.636226 ESP Fit Center 841 is at 1.777069 4.633401 0.636226 ESP Fit Center 842 is at 1.357069 4.578106 0.636226 ESP Fit Center 843 is at 0.965691 4.415993 0.636226 ESP Fit Center 844 is at 3.404289 3.428444 0.201410 ESP Fit Center 845 is at 3.249264 3.819991 0.201410 ESP Fit Center 846 is at 3.001736 4.160684 0.201410 ESP Fit Center 847 is at 2.677258 4.429116 0.201410 ESP Fit Center 848 is at 2.296217 4.608420 0.201410 ESP Fit Center 849 is at 1.882557 4.687330 0.201410 ESP Fit Center 850 is at 1.462268 4.660888 0.201410 ESP Fit Center 851 is at 1.061760 4.530755 0.201410 ESP Fit Center 852 is at 0.706197 4.305107 0.201410 ESP Fit Center 853 is at 3.344530 3.430645 -0.233406 ESP Fit Center 854 is at 3.182416 3.822023 -0.233406 ESP Fit Center 855 is at 2.924530 4.158106 -0.233406 ESP Fit Center 856 is at 2.588447 4.415993 -0.233406 ESP Fit Center 857 is at 2.197069 4.578106 -0.233406 ESP Fit Center 858 is at 1.777069 4.633401 -0.233406 ESP Fit Center 859 is at 1.357069 4.578106 -0.233406 ESP Fit Center 860 is at 0.965691 4.415993 -0.233406 ESP Fit Center 861 is at 0.629608 4.158106 -0.233406 ESP Fit Center 862 is at 3.167353 3.439491 -0.638590 ESP Fit Center 863 is at 2.979182 3.830232 -0.638590 ESP Fit Center 864 is at 2.684198 4.148149 -0.638590 ESP Fit Center 865 is at 2.308612 4.364994 -0.638590 ESP Fit Center 866 is at 1.885795 4.461500 -0.638590 ESP Fit Center 867 is at 1.453318 4.429090 -0.638590 ESP Fit Center 868 is at 1.049608 4.270645 -0.638590 ESP Fit Center 869 is at 0.710535 4.000244 -0.638590 ESP Fit Center 870 is at 2.884789 3.439778 -0.986529 ESP Fit Center 871 is at 2.654967 3.810955 -0.986529 ESP Fit Center 872 is at 2.306579 4.074045 -0.986529 ESP Fit Center 873 is at 1.886678 4.193517 -0.986529 ESP Fit Center 874 is at 1.451974 4.153236 -0.986529 ESP Fit Center 875 is at 1.061175 3.958641 -0.986529 ESP Fit Center 876 is at 2.504530 3.430645 -1.253513 ESP Fit Center 877 is at 2.197069 3.738106 -1.253513 ESP Fit Center 878 is at 1.777069 3.850645 -1.253513 ESP Fit Center 879 is at 1.357069 3.738106 -1.253513 ESP Fit Center 880 is at 1.994477 3.387207 -1.421345 ESP Fit Center 881 is at 0.303399 -1.898774 1.493640 ESP Fit Center 882 is at 0.100807 -2.249674 1.325807 ESP Fit Center 883 is at 0.520807 -2.362213 1.325807 ESP Fit Center 884 is at 0.195712 -2.664803 1.058824 ESP Fit Center 885 is at 0.630417 -2.705085 1.058824 ESP Fit Center 886 is at 0.197057 -2.940657 0.710885 ESP Fit Center 887 is at 0.629534 -2.973067 0.710885 ESP Fit Center 888 is at 1.052350 -2.876562 0.710885 ESP Fit Center 889 is at 0.100807 -3.089674 0.305701 ESP Fit Center 890 is at 0.520807 -3.144968 0.305701 ESP Fit Center 891 is at 0.940807 -3.089674 0.305701 ESP Fit Center 892 is at 1.332185 -2.927560 0.305701 ESP Fit Center 893 is at 0.206007 -3.172455 -0.129115 ESP Fit Center 894 is at 0.626295 -3.198898 -0.129115 ESP Fit Center 895 is at 1.039956 -3.119988 -0.129115 ESP Fit Center 896 is at 0.100807 -3.089674 -0.563931 ESP Fit Center 897 is at 0.520807 -3.144968 -0.563931 ESP Fit Center 898 is at -0.206654 -2.782213 -0.969115 ESP Fit Center 899 is at 0.197057 -2.940657 -0.969115 ESP Fit Center 900 is at 0.629534 -2.973067 -0.969115 ESP Fit Center 901 is at -0.646905 -1.740496 -1.317055 ESP Fit Center 902 is at -0.489199 -2.147582 -1.317055 ESP Fit Center 903 is at -0.195086 -2.470209 -1.317055 ESP Fit Center 904 is at 0.195712 -2.664803 -1.317055 ESP Fit Center 905 is at -0.319193 -1.522213 -1.584038 ESP Fit Center 906 is at -0.206654 -1.942213 -1.584038 ESP Fit Center 907 is at 0.100807 -2.249674 -1.584038 ESP Fit Center 908 is at 0.520807 -2.362213 -1.584038 ESP Fit Center 909 is at 0.085991 -1.522213 -1.751871 ESP Fit Center 910 is at 0.303399 -1.898774 -1.751871 ESP Fit Center 911 is at -0.944869 0.104011 2.202355 ESP Fit Center 912 is at 2.603672 -2.258576 3.184923 ESP Fit Center 913 is at 3.038488 -2.258576 3.127679 ESP Fit Center 914 is at 2.821080 -1.882014 3.127679 ESP Fit Center 915 is at 2.386264 -1.882014 3.127679 ESP Fit Center 916 is at 2.168856 -2.258576 3.127679 ESP Fit Center 917 is at 2.386264 -2.635138 3.127679 ESP Fit Center 918 is at 2.821080 -2.635138 3.127679 ESP Fit Center 919 is at 2.603672 -1.418576 2.959846 ESP Fit Center 920 is at 2.183672 -1.531115 2.959846 ESP Fit Center 921 is at 1.876211 -1.838576 2.959846 ESP Fit Center 922 is at 1.763672 -2.258576 2.959846 ESP Fit Center 923 is at 1.876211 -2.678576 2.959846 ESP Fit Center 924 is at 2.183672 -2.986037 2.959846 ESP Fit Center 925 is at 2.603672 -3.098576 2.959846 ESP Fit Center 926 is at 3.023672 -2.986037 2.959846 ESP Fit Center 927 is at 3.331134 -2.678576 2.959846 ESP Fit Center 928 is at 2.278577 -1.115985 2.692863 ESP Fit Center 929 is at 1.887779 -1.310580 2.692863 ESP Fit Center 930 is at 1.593666 -1.633206 2.692863 ESP Fit Center 931 is at 1.435960 -2.040293 2.692863 ESP Fit Center 932 is at 1.435960 -2.476859 2.692863 ESP Fit Center 933 is at 1.593666 -2.883945 2.692863 ESP Fit Center 934 is at 1.887779 -3.206572 2.692863 ESP Fit Center 935 is at 2.278577 -3.401167 2.692863 ESP Fit Center 936 is at 2.713282 -3.441448 2.692863 ESP Fit Center 937 is at 3.133183 -3.321976 2.692863 ESP Fit Center 938 is at 1.876211 -0.998576 2.344923 ESP Fit Center 939 is at 1.537139 -1.268977 2.344923 ESP Fit Center 940 is at 1.292832 -1.627309 2.344923 ESP Fit Center 941 is at 1.165000 -2.041731 2.344923 ESP Fit Center 942 is at 1.165000 -2.475421 2.344923 ESP Fit Center 943 is at 1.292832 -2.889843 2.344923 ESP Fit Center 944 is at 1.537139 -3.248175 2.344923 ESP Fit Center 945 is at 1.876211 -3.518576 2.344923 ESP Fit Center 946 is at 2.279922 -3.677021 2.344923 ESP Fit Center 947 is at 2.712399 -3.709430 2.344923 ESP Fit Center 948 is at 3.135215 -3.612925 2.344923 ESP Fit Center 949 is at 1.792295 -0.853229 1.939739 ESP Fit Center 950 is at 1.456211 -1.111115 1.939739 ESP Fit Center 951 is at 1.198325 -1.447198 1.939739 ESP Fit Center 952 is at 1.036211 -1.838576 1.939739 ESP Fit Center 953 is at 0.980917 -2.258576 1.939739 ESP Fit Center 954 is at 1.036211 -2.678576 1.939739 ESP Fit Center 955 is at 1.198325 -3.069954 1.939739 ESP Fit Center 956 is at 1.456211 -3.406037 1.939739 ESP Fit Center 957 is at 1.792295 -3.663923 1.939739 ESP Fit Center 958 is at 2.183672 -3.826037 1.939739 ESP Fit Center 959 is at 2.603672 -3.881331 1.939739 ESP Fit Center 960 is at 3.023672 -3.826037 1.939739 ESP Fit Center 961 is at 0.936920 -2.048016 1.504923 ESP Fit Center 962 is at 0.936920 -2.469136 1.504923 ESP Fit Center 963 is at 1.041648 -2.877025 1.504923 ESP Fit Center 964 is at 1.244524 -3.246055 1.504923 ESP Fit Center 965 is at 1.532800 -3.553038 1.504923 ESP Fit Center 966 is at 1.888363 -3.778685 1.504923 ESP Fit Center 967 is at 2.288872 -3.908819 1.504923 ESP Fit Center 968 is at 2.709161 -3.935261 1.504923 ESP Fit Center 969 is at 3.122821 -3.856351 1.504923 ESP Fit Center 970 is at 1.036211 -2.678576 1.070107 ESP Fit Center 971 is at 1.198325 -3.069954 1.070107 ESP Fit Center 972 is at 1.456211 -3.406037 1.070107 ESP Fit Center 973 is at 1.792295 -3.663923 1.070107 ESP Fit Center 974 is at 2.183672 -3.826037 1.070107 ESP Fit Center 975 is at 2.603672 -3.881331 1.070107 ESP Fit Center 976 is at 1.292832 -2.889843 0.664923 ESP Fit Center 977 is at 1.537139 -3.248175 0.664923 ESP Fit Center 978 is at 1.876211 -3.518576 0.664923 ESP Fit Center 979 is at 2.279922 -3.677021 0.664923 ESP Fit Center 980 is at 2.278577 -3.401167 0.316984 ESP Fit Center 981 is at 2.794429 -3.968604 -0.165818 ESP Fit Center 982 is at 3.229133 -4.008885 -0.165818 ESP Fit Center 983 is at 3.649034 -3.889413 -0.165818 ESP Fit Center 984 is at 2.392063 -4.086013 -0.513757 ESP Fit Center 985 is at 2.795773 -4.244458 -0.513757 ESP Fit Center 986 is at 3.228251 -4.276868 -0.513757 ESP Fit Center 987 is at 3.651067 -4.180362 -0.513757 ESP Fit Center 988 is at 4.026654 -3.963517 -0.513757 ESP Fit Center 989 is at 4.321638 -3.645600 -0.513757 ESP Fit Center 990 is at 4.742280 -2.826013 -0.918941 ESP Fit Center 991 is at 4.686985 -2.406013 -0.918941 ESP Fit Center 992 is at 2.308146 -4.231360 -0.918941 ESP Fit Center 993 is at 2.699524 -4.393474 -0.918941 ESP Fit Center 994 is at 3.119524 -4.448768 -0.918941 ESP Fit Center 995 is at 3.539524 -4.393474 -0.918941 ESP Fit Center 996 is at 3.930902 -4.231360 -0.918941 ESP Fit Center 997 is at 4.266985 -3.973474 -0.918941 ESP Fit Center 998 is at 4.524872 -3.637391 -0.918941 ESP Fit Center 999 is at 4.686985 -3.246013 -0.918941 ESP Fit Center 1000 is at 4.799524 -2.826013 -1.353757 ESP Fit Center 1001 is at 4.746744 -2.408214 -1.353757 ESP Fit Center 1002 is at 2.048652 -4.120475 -1.353757 ESP Fit Center 1003 is at 2.404215 -4.346123 -1.353757 ESP Fit Center 1004 is at 2.804724 -4.476256 -1.353757 ESP Fit Center 1005 is at 3.225012 -4.502698 -1.353757 ESP Fit Center 1006 is at 3.638673 -4.423788 -1.353757 ESP Fit Center 1007 is at 4.019713 -4.244484 -1.353757 ESP Fit Center 1008 is at 4.344191 -3.976052 -1.353757 ESP Fit Center 1009 is at 4.591719 -3.635359 -1.353757 ESP Fit Center 1010 is at 4.746744 -3.243812 -1.353757 ESP Fit Center 1011 is at 4.742280 -2.826013 -1.788573 ESP Fit Center 1012 is at 4.686985 -2.406013 -1.788573 ESP Fit Center 1013 is at 4.524872 -2.014635 -1.788573 ESP Fit Center 1014 is at 1.972063 -3.973474 -1.788573 ESP Fit Center 1015 is at 2.308146 -4.231360 -1.788573 ESP Fit Center 1016 is at 2.699524 -4.393474 -1.788573 ESP Fit Center 1017 is at 3.119524 -4.448768 -1.788573 ESP Fit Center 1018 is at 3.539524 -4.393474 -1.788573 ESP Fit Center 1019 is at 3.930902 -4.231360 -1.788573 ESP Fit Center 1020 is at 4.266985 -3.973474 -1.788573 ESP Fit Center 1021 is at 4.524872 -3.637391 -1.788573 ESP Fit Center 1022 is at 4.686985 -3.246013 -1.788573 ESP Fit Center 1023 is at 4.574447 -2.826013 -2.193757 ESP Fit Center 1024 is at 4.509809 -2.397167 -2.193757 ESP Fit Center 1025 is at 4.321638 -2.006426 -2.193757 ESP Fit Center 1026 is at 2.052990 -3.815612 -2.193757 ESP Fit Center 1027 is at 2.392063 -4.086013 -2.193757 ESP Fit Center 1028 is at 2.795773 -4.244458 -2.193757 ESP Fit Center 1029 is at 3.228251 -4.276868 -2.193757 ESP Fit Center 1030 is at 3.651067 -4.180362 -2.193757 ESP Fit Center 1031 is at 4.026654 -3.963517 -2.193757 ESP Fit Center 1032 is at 4.321638 -3.645600 -2.193757 ESP Fit Center 1033 is at 4.509809 -3.254859 -2.193757 ESP Fit Center 1034 is at 4.307464 -2.826013 -2.541697 ESP Fit Center 1035 is at 4.227245 -2.396880 -2.541697 ESP Fit Center 1036 is at 3.997422 -2.025703 -2.541697 ESP Fit Center 1037 is at 2.403631 -3.774009 -2.541697 ESP Fit Center 1038 is at 2.794429 -3.968604 -2.541697 ESP Fit Center 1039 is at 3.229133 -4.008885 -2.541697 ESP Fit Center 1040 is at 3.649034 -3.889413 -2.541697 ESP Fit Center 1041 is at 3.997422 -3.626323 -2.541697 ESP Fit Center 1042 is at 4.227245 -3.255146 -2.541697 ESP Fit Center 1043 is at 3.959524 -2.826013 -2.808680 ESP Fit Center 1044 is at 3.846985 -2.406013 -2.808680 ESP Fit Center 1045 is at 2.392063 -3.246013 -2.808680 ESP Fit Center 1046 is at 2.699524 -3.553474 -2.808680 ESP Fit Center 1047 is at 3.119524 -3.666013 -2.808680 ESP Fit Center 1048 is at 3.539524 -3.553474 -2.808680 ESP Fit Center 1049 is at 3.846985 -3.246013 -2.808680 ESP Fit Center 1050 is at 3.554340 -2.826013 -2.976513 ESP Fit Center 1051 is at 3.336932 -2.449451 -2.976513 ESP Fit Center 1052 is at 2.902116 -3.202575 -2.976513 ESP Fit Center 1053 is at 3.336932 -3.202575 -2.976513 ESP Fit Center 1054 is at 3.119524 -2.826013 -3.033757 ESP Fit Center 1055 is at -3.049545 -0.202698 2.224972 ESP Fit Center 1056 is at -2.287594 -3.058284 1.906745 ESP Fit Center 1057 is at -2.391007 -3.239517 1.543683 ESP Fit Center 1058 is at -1.972089 -3.262230 1.543683 ESP Fit Center 1059 is at -1.558082 -3.194357 1.543683 ESP Fit Center 1060 is at -0.316297 -2.139575 1.543683 ESP Fit Center 1061 is at -0.182339 -1.742003 1.543683 ESP Fit Center 1062 is at -2.181446 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1443 is at -6.295070 -2.225425 0.623781 ESP Fit Center 1444 is at -5.903693 -2.387538 0.623781 ESP Fit Center 1445 is at -6.199002 0.700032 0.188965 ESP Fit Center 1446 is at -6.554565 0.474385 0.188965 ESP Fit Center 1447 is at -6.842841 0.167402 0.188965 ESP Fit Center 1448 is at -7.045717 -0.201628 0.188965 ESP Fit Center 1449 is at -7.150445 -0.609517 0.188965 ESP Fit Center 1450 is at -7.150445 -1.030637 0.188965 ESP Fit Center 1451 is at -7.045717 -1.438526 0.188965 ESP Fit Center 1452 is at -6.842841 -1.807556 0.188965 ESP Fit Center 1453 is at -6.554565 -2.114539 0.188965 ESP Fit Center 1454 is at -6.199002 -2.340187 0.188965 ESP Fit Center 1455 is at -5.798493 -2.470320 0.188965 ESP Fit Center 1456 is at -6.295070 0.585270 -0.245851 ESP Fit Center 1457 is at -6.631154 0.327384 -0.245851 ESP Fit Center 1458 is at -6.889040 -0.008699 -0.245851 ESP Fit Center 1459 is at -7.051154 -0.400077 -0.245851 ESP Fit Center 1460 is at -7.106448 -0.820077 -0.245851 ESP Fit Center 1461 is at 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Center 1534 is at -5.739048 0.665839 2.112886 ESP Fit Center 1535 is at -5.866880 0.251417 2.112886 ESP Fit Center 1536 is at -5.866880 -0.182273 2.112886 ESP Fit Center 1537 is at -5.739048 -0.596696 2.112886 ESP Fit Center 1538 is at -5.494742 -0.955027 2.112886 ESP Fit Center 1539 is at -3.616830 1.439919 1.707702 ESP Fit Center 1540 is at -4.008208 1.602033 1.707702 ESP Fit Center 1541 is at -4.428208 1.657327 1.707702 ESP Fit Center 1542 is at -4.848208 1.602033 1.707702 ESP Fit Center 1543 is at -5.239586 1.439919 1.707702 ESP Fit Center 1544 is at -5.575669 1.182033 1.707702 ESP Fit Center 1545 is at -5.833555 0.845949 1.707702 ESP Fit Center 1546 is at -5.995669 0.454572 1.707702 ESP Fit Center 1547 is at -6.050963 0.034572 1.707702 ESP Fit Center 1548 is at -3.909059 1.632347 1.272886 ESP Fit Center 1549 is at -4.322720 1.711257 1.272886 ESP Fit Center 1550 is at -4.743008 1.684814 1.272886 ESP Fit Center 1551 is at -5.143517 1.554681 1.272886 ESP Fit Center 1552 is at 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0.230606 ESP Fit Center 1643 is at -3.434869 2.571849 0.230606 ESP Fit Center 1644 is at -3.810456 2.788694 0.230606 ESP Fit Center 1645 is at -4.233272 2.885199 0.230606 ESP Fit Center 1646 is at -4.665750 2.852789 0.230606 ESP Fit Center 1647 is at -5.069460 2.694344 0.230606 ESP Fit Center 1648 is at -5.408533 2.423943 0.230606 ESP Fit Center 1649 is at -5.652839 2.065612 0.230606 ESP Fit Center 1650 is at -5.780671 1.651189 0.230606 ESP Fit Center 1651 is at -5.780671 1.217499 0.230606 ESP Fit Center 1652 is at -3.194538 2.581806 -0.174578 ESP Fit Center 1653 is at -3.530621 2.839692 -0.174578 ESP Fit Center 1654 is at -3.921999 3.001806 -0.174578 ESP Fit Center 1655 is at -4.341999 3.057100 -0.174578 ESP Fit Center 1656 is at -4.761999 3.001806 -0.174578 ESP Fit Center 1657 is at -5.153377 2.839692 -0.174578 ESP Fit Center 1658 is at -5.489460 2.581806 -0.174578 ESP Fit Center 1659 is at -5.747346 2.245722 -0.174578 ESP Fit Center 1660 is at -5.909460 1.854344 -0.174578 ESP Fit Center 1661 is at -5.964754 1.434344 -0.174578 ESP Fit Center 1662 is at -3.117332 2.584383 -0.609394 ESP Fit Center 1663 is at -3.441810 2.852815 -0.609394 ESP Fit Center 1664 is at -3.822850 3.032119 -0.609394 ESP Fit Center 1665 is at -4.236511 3.111029 -0.609394 ESP Fit Center 1666 is at -4.656799 3.084587 -0.609394 ESP Fit Center 1667 is at -5.057308 2.954454 -0.609394 ESP Fit Center 1668 is at -5.412871 2.728807 -0.609394 ESP Fit Center 1669 is at -5.701147 2.421824 -0.609394 ESP Fit Center 1670 is at -5.904023 2.052794 -0.609394 ESP Fit Center 1671 is at -6.008752 1.644904 -0.609394 ESP Fit Center 1672 is at -6.008752 1.223785 -0.609394 ESP Fit Center 1673 is at -3.530621 2.839692 -1.044210 ESP Fit Center 1674 is at -3.921999 3.001806 -1.044210 ESP Fit Center 1675 is at -4.341999 3.057100 -1.044210 ESP Fit Center 1676 is at -4.761999 3.001806 -1.044210 ESP Fit Center 1677 is at -5.153377 2.839692 -1.044210 ESP Fit Center 1678 is at -5.489460 2.581806 -1.044210 ESP Fit Center 1679 is at -5.747346 2.245722 -1.044210 ESP Fit Center 1680 is at -5.909460 1.854344 -1.044210 ESP Fit Center 1681 is at -5.964754 1.434344 -1.044210 ESP Fit Center 1682 is at -3.434869 2.571849 -1.449394 ESP Fit Center 1683 is at -3.810456 2.788694 -1.449394 ESP Fit Center 1684 is at -4.233272 2.885199 -1.449394 ESP Fit Center 1685 is at -4.665750 2.852789 -1.449394 ESP Fit Center 1686 is at -5.069460 2.694344 -1.449394 ESP Fit Center 1687 is at -5.408533 2.423943 -1.449394 ESP Fit Center 1688 is at -5.652839 2.065612 -1.449394 ESP Fit Center 1689 is at -5.780671 1.651189 -1.449394 ESP Fit Center 1690 is at -3.812489 2.497744 -1.797333 ESP Fit Center 1691 is at -4.232390 2.617216 -1.797333 ESP Fit Center 1692 is at -4.667094 2.576935 -1.797333 ESP Fit Center 1693 is at -5.057892 2.382340 -1.797333 ESP Fit Center 1694 is at -5.352005 2.059714 -1.797333 ESP Fit Center 1695 is at -5.509711 1.652628 -1.797333 ESP Fit Center 1696 is at -3.921999 2.161806 -2.064317 ESP Fit Center 1697 is at -4.341999 2.274344 -2.064317 ESP Fit Center 1698 is at -4.761999 2.161806 -2.064317 ESP Fit Center 1699 is at -5.069460 1.854344 -2.064317 ESP Fit Center 1700 is at -1.081112 -1.511384 -1.343959 ESP Fit Center 1701 is at -0.823226 -1.175301 -1.343959 ESP Fit Center 1702 is at -0.548573 -0.363923 -1.778775 ESP Fit Center 1703 is at -2.123085 -2.040608 -1.778775 ESP Fit Center 1704 is at -1.709425 -1.961698 -1.778775 ESP Fit Center 1705 is at -1.328384 -1.782394 -1.778775 ESP Fit Center 1706 is at -1.003906 -1.513962 -1.778775 ESP Fit Center 1707 is at -0.756378 -1.173269 -1.778775 ESP Fit Center 1708 is at -0.601354 -0.781722 -1.778775 ESP Fit Center 1709 is at -0.605818 -0.363923 -2.213591 ESP Fit Center 1710 is at -0.661112 0.056077 -2.213591 ESP Fit Center 1711 is at -3.376035 -1.511384 -2.213591 ESP Fit Center 1712 is at -3.039951 -1.769270 -2.213591 ESP Fit Center 1713 is at -2.648573 -1.931384 -2.213591 ESP Fit Center 1714 is at -2.228573 -1.986678 -2.213591 ESP Fit Center 1715 is 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1733 is at -1.120853 0.065210 -2.966714 ESP Fit Center 1734 is at -1.350676 0.436387 -2.966714 ESP Fit Center 1735 is at -3.396286 -0.145640 -2.966714 ESP Fit Center 1736 is at -3.396286 -0.582206 -2.966714 ESP Fit Center 1737 is at -3.238580 -0.989292 -2.966714 ESP Fit Center 1738 is at -2.944467 -1.311919 -2.966714 ESP Fit Center 1739 is at -2.553668 -1.506514 -2.966714 ESP Fit Center 1740 is at -2.118964 -1.546795 -2.966714 ESP Fit Center 1741 is at -1.699063 -1.427323 -2.966714 ESP Fit Center 1742 is at -1.350676 -1.164233 -2.966714 ESP Fit Center 1743 is at -1.120853 -0.793056 -2.966714 ESP Fit Center 1744 is at -1.388573 -0.363923 -3.233697 ESP Fit Center 1745 is at -1.501112 0.056077 -3.233697 ESP Fit Center 1746 is at -1.808573 0.363538 -3.233697 ESP Fit Center 1747 is at -2.228573 0.476077 -3.233697 ESP Fit Center 1748 is at -2.648573 0.363538 -3.233697 ESP Fit Center 1749 is at -2.956035 0.056077 -3.233697 ESP Fit Center 1750 is at -3.068573 -0.363923 -3.233697 ESP Fit Center 1751 is at -2.956035 -0.783923 -3.233697 ESP Fit Center 1752 is at -2.648573 -1.091384 -3.233697 ESP Fit Center 1753 is at -2.228573 -1.203923 -3.233697 ESP Fit Center 1754 is at -1.808573 -1.091384 -3.233697 ESP Fit Center 1755 is at -1.501112 -0.783923 -3.233697 ESP Fit Center 1756 is at -1.793757 -0.363923 -3.401530 ESP Fit Center 1757 is at -2.011165 0.012639 -3.401530 ESP Fit Center 1758 is at -2.445981 0.012639 -3.401530 ESP Fit Center 1759 is at -2.663389 -0.363923 -3.401530 ESP Fit Center 1760 is at -2.445981 -0.740485 -3.401530 ESP Fit Center 1761 is at -2.011165 -0.740485 -3.401530 ESP Fit Center 1762 is at -2.228573 -0.363923 -3.458775 ESP Fit Center 1763 is at -2.497335 2.490905 -0.272731 ESP Fit Center 1764 is at -2.495991 2.766759 -0.620670 ESP Fit Center 1765 is at -2.899702 2.608315 -0.620670 ESP Fit Center 1766 is at -2.172240 2.971070 -1.025854 ESP Fit Center 1767 is at -2.592240 2.915776 -1.025854 ESP Fit Center 1768 is at -2.983618 2.753662 -1.025854 ESP Fit Center 1769 is at -1.272051 2.766785 -1.460670 ESP Fit Center 1770 is at -1.653092 2.946089 -1.460670 ESP Fit Center 1771 is at -2.066752 3.024999 -1.460670 ESP Fit Center 1772 is at -2.487041 2.998557 -1.460670 ESP Fit Center 1773 is at -2.887550 2.868424 -1.460670 ESP Fit Center 1774 is at -3.243113 2.642777 -1.460670 ESP Fit Center 1775 is at -0.549485 1.348315 -1.895486 ESP Fit Center 1776 is at -0.604779 1.768315 -1.895486 ESP Fit Center 1777 is at -0.766893 2.159692 -1.895486 ESP Fit Center 1778 is at -1.024779 2.495776 -1.895486 ESP Fit Center 1779 is at -1.360863 2.753662 -1.895486 ESP Fit Center 1780 is at -1.752240 2.915776 -1.895486 ESP Fit Center 1781 is at -2.172240 2.971070 -1.895486 ESP Fit Center 1782 is at -2.592240 2.915776 -1.895486 ESP Fit Center 1783 is at -2.983618 2.753662 -1.895486 ESP Fit Center 1784 is at -3.319702 2.495776 -1.895486 ESP Fit Center 1785 is at -0.604779 0.928315 -1.895486 ESP Fit Center 1786 is at -0.717318 1.348315 -2.300670 ESP Fit Center 1787 is at -0.781956 1.777160 -2.300670 ESP Fit Center 1788 is at -0.970127 2.167902 -2.300670 ESP Fit Center 1789 is at -1.265111 2.485819 -2.300670 ESP Fit Center 1790 is at -1.640697 2.702664 -2.300670 ESP Fit Center 1791 is at -2.063514 2.799169 -2.300670 ESP Fit Center 1792 is at -2.495991 2.766759 -2.300670 ESP Fit Center 1793 is at -2.899702 2.608315 -2.300670 ESP Fit Center 1794 is at -3.238774 2.337913 -2.300670 ESP Fit Center 1795 is at -3.483080 1.979582 -2.300670 ESP Fit Center 1796 is at -0.781956 0.919469 -2.300670 ESP Fit Center 1797 is at -0.984301 1.348315 -2.648610 ESP Fit Center 1798 is at -1.064520 1.777448 -2.648610 ESP Fit Center 1799 is at -1.294343 2.148624 -2.648610 ESP Fit Center 1800 is at -1.642730 2.411714 -2.648610 ESP Fit Center 1801 is at -2.062631 2.531186 -2.648610 ESP Fit Center 1802 is at -2.497335 2.490905 -2.648610 ESP Fit Center 1803 is at -2.888134 2.296311 -2.648610 ESP Fit Center 1804 is at -3.182247 1.973684 -2.648610 ESP Fit Center 1805 is at -3.339953 1.566598 -2.648610 ESP Fit Center 1806 is at -1.064520 0.919181 -2.648610 ESP Fit Center 1807 is at -1.332240 1.348315 -2.915593 ESP Fit Center 1808 is at -1.444779 1.768315 -2.915593 ESP Fit Center 1809 is at -1.752240 2.075776 -2.915593 ESP Fit Center 1810 is at -2.172240 2.188315 -2.915593 ESP Fit Center 1811 is at -2.592240 2.075776 -2.915593 ESP Fit Center 1812 is at -2.899702 1.768315 -2.915593 ESP Fit Center 1813 is at -3.012240 1.348315 -2.915593 ESP Fit Center 1814 is at -1.444779 0.928315 -2.915593 ESP Fit Center 1815 is at -1.737424 1.348315 -3.083426 ESP Fit Center 1816 is at -1.954832 1.724876 -3.083426 ESP Fit Center 1817 is at -2.389648 1.724876 -3.083426 ESP Fit Center 1818 is at -2.607056 1.348315 -3.083426 ESP Fit Center 1819 is at -2.389648 0.971753 -3.083426 ESP Fit Center 1820 is at -1.954832 0.971753 -3.083426 ESP Fit Center 1821 is at -2.172240 1.348315 -3.140670 ESP Fit Center 1822 is at 3.054886 -0.375101 -2.573613 ESP Fit Center 1823 is at 3.459678 -1.808125 3.414161 ESP Fit Center 1824 is at 3.042923 -1.808125 3.377699 ESP Fit Center 1825 is at 3.251301 -2.169046 3.377699 ESP Fit Center 1826 is at 3.668056 -2.169046 3.377699 ESP Fit Center 1827 is at 2.748803 -1.397701 3.269423 ESP Fit Center 1828 is at 3.459678 -2.628974 3.269423 ESP Fit Center 1829 is at 3.870103 -2.519001 3.269423 ESP Fit Center 1830 is at 4.170554 -2.218550 3.269423 ESP Fit Center 1831 is at 2.540425 -1.036780 3.092622 ESP Fit Center 1832 is at 3.668056 -2.989895 3.092622 ESP Fit Center 1833 is at 4.059678 -2.847356 3.092622 ESP Fit Center 1834 is at 4.378932 -2.579471 3.092622 ESP Fit Center 1835 is at 4.587310 -2.218550 3.092622 ESP Fit Center 1836 is at 2.262996 -0.834552 2.852667 ESP Fit Center 1837 is at 3.773548 -3.318549 2.852667 ESP Fit Center 1838 is at 4.169416 -3.177857 2.852667 ESP Fit Center 1839 is at 4.512646 -2.935579 2.852667 ESP Fit Center 1840 is at 4.777783 -2.609683 2.852667 ESP Fit Center 1841 is at 4.945162 -2.224338 2.852667 ESP Fit Center 1842 is at 2.198019 -0.470844 2.556851 ESP Fit Center 1843 is at 1.923628 -0.797850 2.556851 ESP Fit Center 1844 is at 3.778932 -3.618701 2.556851 ESP Fit Center 1845 is at 4.187874 -3.496272 2.556851 ESP Fit Center 1846 is at 5.248628 -2.232114 2.556851 ESP Fit Center 1847 is at 3.354406 -3.883919 2.214161 ESP Fit Center 1848 is at 5.714941 -1.808125 1.835009 ESP Fit Center 1849 is at 5.785234 -1.386099 1.430916 ESP Fit Center 1850 is at 5.823217 -1.391370 1.014161 ESP Fit Center 1851 is at 5.714941 -0.987277 1.014161 ESP Fit Center 1852 is at 3.042923 -4.171664 1.014161 ESP Fit Center 1853 is at 5.785234 -1.386099 0.597405 ESP Fit Center 1854 is at 5.672506 -0.977637 0.597405 ESP Fit Center 1855 is at 5.488655 -0.595868 0.597405 ESP Fit Center 1856 is at 2.530749 -3.981465 0.597405 ESP Fit Center 1857 is at 2.933742 -4.112405 0.597405 ESP Fit Center 1858 is at 5.674185 -1.381314 0.193312 ESP Fit Center 1859 is at 5.553392 -0.969929 0.193312 ESP Fit Center 1860 is at 2.722054 -3.939350 0.193312 ESP Fit Center 1861 is at 3.138721 -4.040432 0.193312 ESP Fit Center 1862 is at 1.260489 -3.443761 0.174812 ESP Fit Center 1863 is at 1.593407 -3.691609 0.174812 ESP Fit Center 1864 is at 1.974509 -3.856000 0.174812 ESP Fit Center 1865 is at 2.383249 -3.928072 0.174812 ESP Fit Center 1866 is at 1.145468 -3.633666 -0.176636 ESP Fit Center 1867 is at 1.484603 -3.880062 -0.176636 ESP Fit Center 1868 is at 1.867556 -4.050564 -0.176636 ESP Fit Center 1869 is at 2.277589 -4.137719 -0.176636 ESP Fit Center 1870 is at 0.963732 -3.666992 -0.562085 ESP Fit Center 1871 is at 1.290216 -3.934930 -0.562085 ESP Fit Center 1872 is at 1.662699 -4.134026 -0.562085 ESP Fit Center 1873 is at 2.066866 -4.256629 -0.562085 ESP Fit Center 1874 is at 0.733938 -3.522307 -0.968409 ESP Fit Center 1875 is at 1.026556 -3.829195 -0.968409 ESP Fit Center 1876 is at 1.371964 -4.075159 -0.968409 ESP Fit Center 1877 is at 1.757679 -4.251310 -0.968409 ESP Fit Center 1878 is at 0.504688 -3.165586 -1.381771 ESP Fit Center 1879 is at 0.733938 -3.522307 -1.381771 ESP Fit Center 1880 is at 1.026556 -3.829195 -1.381771 ESP Fit Center 1881 is at 1.371964 -4.075159 -1.381771 ESP Fit Center 1882 is at 1.757679 -4.251310 -1.381771 ESP Fit Center 1883 is at 0.374095 -2.563858 -1.788095 ESP Fit Center 1884 is at 0.496697 -2.968025 -1.788095 ESP Fit Center 1885 is at 0.695794 -3.340508 -1.788095 ESP Fit Center 1886 is at 0.963732 -3.666992 -1.788095 ESP Fit Center 1887 is at 1.290216 -3.934930 -1.788095 ESP Fit Center 1888 is at 1.662699 -4.134026 -1.788095 ESP Fit Center 1889 is at 0.525838 -1.726640 -2.173544 ESP Fit Center 1890 is at 0.482020 -2.143538 -2.173544 ESP Fit Center 1891 is at 0.525838 -2.560435 -2.173544 ESP Fit Center 1892 is at 0.655376 -2.959112 -2.173544 ESP Fit Center 1893 is at 0.864973 -3.322145 -2.173544 ESP Fit Center 1894 is at 1.145468 -3.633666 -2.173544 ESP Fit Center 1895 is at 1.484603 -3.880062 -2.173544 ESP Fit Center 1896 is at 1.867556 -4.050564 -2.173544 ESP Fit Center 1897 is at 4.226561 -1.731298 -2.524991 ESP Fit Center 1898 is at 2.383249 -0.359003 -2.524991 ESP Fit Center 1899 is at 1.593407 -0.595466 -2.524991 ESP Fit Center 1900 is at 1.260489 -0.843315 -2.524991 ESP Fit Center 1901 is at 0.993703 -1.161258 -2.524991 ESP Fit Center 1902 is at 0.807431 -1.532157 -2.524991 ESP Fit Center 1903 is at 0.711714 -1.936015 -2.524991 ESP Fit Center 1904 is at 0.711714 -2.351061 -2.524991 ESP Fit Center 1905 is at 0.807431 -2.754919 -2.524991 ESP Fit Center 1906 is at 0.993703 -3.125817 -2.524991 ESP Fit Center 1907 is at 1.260489 -3.443761 -2.524991 ESP Fit Center 1908 is at 1.593407 -3.691609 -2.524991 ESP Fit Center 1909 is at 1.974509 -3.856000 -2.524991 ESP Fit Center 1910 is at 3.935136 -1.718381 -2.830470 ESP Fit Center 1911 is at 3.756704 -1.327668 -2.830470 ESP Fit Center 1912 is at 3.475422 -1.003052 -2.830470 ESP Fit Center 1913 is at 3.114080 -0.770832 -2.830470 ESP Fit Center 1914 is at 2.701950 -0.649820 -2.830470 ESP Fit Center 1915 is at 2.272422 -0.649820 -2.830470 ESP Fit Center 1916 is at 1.860292 -0.770832 -2.830470 ESP Fit Center 1917 is at 1.498950 -1.003052 -2.830470 ESP Fit Center 1918 is at 1.217669 -1.327668 -2.830470 ESP Fit Center 1919 is at 1.039236 -1.718381 -2.830470 ESP Fit Center 1920 is at 0.978108 -2.143538 -2.830470 ESP Fit Center 1921 is at 1.039236 -2.568694 -2.830470 ESP Fit Center 1922 is at 1.217669 -2.959407 -2.830470 ESP Fit Center 1923 is at 1.498950 -3.284023 -2.830470 ESP Fit Center 1924 is at 1.860292 -3.516243 -2.830470 ESP Fit Center 1925 is at 3.666394 -2.143538 -3.079576 ESP Fit Center 1926 is at 3.586765 -1.717559 -3.079576 ESP Fit Center 1927 is at 3.358631 -1.349110 -3.079576 ESP Fit Center 1928 is at 3.012804 -1.087954 -3.079576 ESP Fit Center 1929 is at 2.595990 -0.969360 -3.079576 ESP Fit Center 1930 is at 2.164481 -1.009345 -3.079576 ESP Fit Center 1931 is at 1.776555 -1.202509 -3.079576 ESP Fit Center 1932 is at 1.484603 -1.522765 -3.079576 ESP Fit Center 1933 is at 1.328056 -1.926859 -3.079576 ESP Fit Center 1934 is at 1.328056 -2.360217 -3.079576 ESP Fit Center 1935 is at 1.484603 -2.764311 -3.079576 ESP Fit Center 1936 is at 1.776555 -3.084566 -3.079576 ESP Fit Center 1937 is at 2.164481 -3.277730 -3.079576 ESP Fit Center 1938 is at 3.296368 -2.143538 -3.263827 ESP Fit Center 1939 is at 3.187958 -1.738947 -3.263827 ESP Fit Center 1940 is at 2.891777 -1.442766 -3.263827 ESP Fit Center 1941 is at 2.487186 -1.334356 -3.263827 ESP Fit Center 1942 is at 2.082596 -1.442766 -3.263827 ESP Fit Center 1943 is at 1.786415 -1.738947 -3.263827 ESP Fit Center 1944 is at 1.678005 -2.143538 -3.263827 ESP Fit Center 1945 is at 1.786415 -2.548128 -3.263827 ESP Fit Center 1946 is at 2.082596 -2.844309 -3.263827 ESP Fit Center 1947 is at 2.487186 -2.952719 -3.263827 ESP Fit Center 1948 is at 2.891777 -2.844309 -3.263827 ESP Fit Center 1949 is at 3.187958 -2.548128 -3.263827 ESP Fit Center 1950 is at 2.898785 -2.143538 -3.376949 ESP Fit Center 1951 is at 2.692986 -1.787083 -3.376949 ESP Fit Center 1952 is at 2.281387 -1.787083 -3.376949 ESP Fit Center 1953 is at 2.075587 -2.143538 -3.376949 ESP Fit Center 1954 is at 2.281387 -2.499993 -3.376949 ESP Fit Center 1955 is at 2.692986 -2.499993 -3.376949 ESP Fit Center 1956 is at 2.487186 -2.143538 -3.415090 ESP Fit Center 1957 is at -0.629266 2.742633 2.659472 ESP Fit Center 1958 is at -0.217667 2.742633 2.621332 ESP Fit Center 1959 is at -0.423466 3.099088 2.621332 ESP Fit Center 1960 is at -0.835065 3.099088 2.621332 ESP Fit Center 1961 is at -1.040865 2.742633 2.621332 ESP Fit Center 1962 is at -0.835065 2.386178 2.621332 ESP Fit Center 1963 is at -0.423466 2.386178 2.621332 ESP Fit Center 1964 is at 0.179916 2.742633 2.508210 ESP Fit Center 1965 is at 0.071506 3.147223 2.508210 ESP Fit Center 1966 is at -0.224675 3.443404 2.508210 ESP Fit Center 1967 is at -0.629266 3.551814 2.508210 ESP Fit Center 1968 is at -1.033856 3.443404 2.508210 ESP Fit Center 1969 is at -1.330037 3.147223 2.508210 ESP Fit Center 1970 is at -1.438447 2.742633 2.508210 ESP Fit Center 1971 is at -1.330037 2.338042 2.508210 ESP Fit Center 1972 is at -1.033856 2.041861 2.508210 ESP Fit Center 1973 is at 0.470313 3.168612 2.323958 ESP Fit Center 1974 is at 0.242180 3.537060 2.323958 ESP Fit Center 1975 is at -0.103647 3.798216 2.323958 ESP Fit Center 1976 is at -0.520462 3.916810 2.323958 ESP Fit Center 1977 is at -0.951971 3.876825 2.323958 ESP Fit Center 1978 is at -1.339897 3.683661 2.323958 ESP Fit Center 1979 is at -1.631849 3.363406 2.323958 ESP Fit Center 1980 is at -1.788395 2.959312 2.323958 ESP Fit Center 1981 is at -1.788395 2.525954 2.323958 ESP Fit Center 1982 is at -1.631849 2.121860 2.323958 ESP Fit Center 1983 is at 0.640252 3.558502 2.074852 ESP Fit Center 1984 is at 0.358970 3.883118 2.074852 ESP Fit Center 1985 is at -0.002372 4.115339 2.074852 ESP Fit Center 1986 is at -0.414501 4.236351 2.074852 ESP Fit Center 1987 is at -0.844030 4.236351 2.074852 ESP Fit Center 1988 is at -1.256159 4.115339 2.074852 ESP Fit Center 1989 is at -1.617502 3.883118 2.074852 ESP Fit Center 1990 is at -1.898783 3.558502 2.074852 ESP Fit Center 1991 is at -2.077216 3.167789 2.074852 ESP Fit Center 1992 is at -2.138344 2.742633 2.074852 ESP Fit Center 1993 is at 0.740084 3.891653 1.769374 ESP Fit Center 1994 is at 0.438190 4.176475 1.769374 ESP Fit Center 1995 is at 0.078750 4.383998 1.769374 ESP Fit Center 1996 is at -0.318859 4.503034 1.769374 ESP Fit Center 1997 is at -0.733203 4.527167 1.769374 ESP Fit Center 1998 is at -1.141943 4.455095 1.769374 ESP Fit Center 1999 is at -1.523045 4.290704 1.769374 ESP Fit Center 2000 is at -1.855963 4.042856 1.769374 ESP Fit Center 2001 is at -2.122749 3.724912 1.769374 ESP Fit Center 2002 is at -2.309021 3.354014 1.769374 ESP Fit Center 2003 is at -2.404737 2.950156 1.769374 ESP Fit Center 2004 is at 0.712452 4.232761 1.417926 ESP Fit Center 2005 is at 0.373317 4.479157 1.417926 ESP Fit Center 2006 is at -0.009635 4.649659 1.417926 ESP Fit Center 2007 is at -0.419669 4.736814 1.417926 ESP Fit Center 2008 is at -0.838863 4.736814 1.417926 ESP Fit Center 2009 is at -1.248896 4.649659 1.417926 ESP Fit Center 2010 is at -1.631849 4.479157 1.417926 ESP Fit Center 2011 is at -1.970983 4.232761 1.417926 ESP Fit Center 2012 is at -2.251479 3.921240 1.417926 ESP Fit Center 2013 is at -2.461076 3.558207 1.417926 ESP Fit Center 2014 is at -2.590614 3.159530 1.417926 ESP Fit Center 2015 is at -2.634431 2.742633 1.417926 ESP Fit Center 2016 is at 0.567705 4.534025 1.032477 ESP Fit Center 2017 is at 0.195222 4.733121 1.032477 ESP Fit Center 2018 is at -0.208946 4.855724 1.032477 ESP Fit Center 2019 is at -0.629266 4.897122 1.032477 ESP Fit Center 2020 is at -1.049586 4.855724 1.032477 ESP Fit Center 2021 is at -1.453753 4.733121 1.032477 ESP Fit Center 2022 is at -1.826236 4.534025 1.032477 ESP Fit Center 2023 is at -2.152720 4.266087 1.032477 ESP Fit Center 2024 is at -2.420658 3.939603 1.032477 ESP Fit Center 2025 is at -2.619754 3.567120 1.032477 ESP Fit Center 2026 is at -2.742357 3.162953 1.032477 ESP Fit Center 2027 is at -2.783755 2.742633 1.032477 ESP Fit Center 2028 is at 0.664519 4.559499 0.626153 ESP Fit Center 2029 is at 0.297294 4.771516 0.626153 ESP Fit Center 2030 is at -0.103418 4.910205 0.626153 ESP Fit Center 2031 is at -0.523137 4.970551 0.626153 ESP Fit Center 2032 is at -0.946691 4.950375 0.626153 ESP Fit Center 2033 is at -1.358773 4.850405 0.626153 ESP Fit Center 2034 is at -1.744488 4.674254 0.626153 ESP Fit Center 2035 is at -2.089896 4.428290 0.626153 ESP Fit Center 2036 is at -2.382514 4.121402 0.626153 ESP Fit Center 2037 is at -2.611764 3.764682 0.626153 ESP Fit Center 2038 is at -2.769362 3.371022 0.626153 ESP Fit Center 2039 is at -2.849611 2.954650 0.626153 ESP Fit Center 2040 is at 0.297294 4.771516 0.212791 ESP Fit Center 2041 is at -0.103418 4.910205 0.212791 ESP Fit Center 2042 is at -0.523137 4.970551 0.212791 ESP Fit Center 2043 is at -0.946691 4.950375 0.212791 ESP Fit Center 2044 is at -1.358773 4.850405 0.212791 ESP Fit Center 2045 is at -1.744488 4.674254 0.212791 ESP Fit Center 2046 is at -2.089896 4.428290 0.212791 ESP Fit Center 2047 is at -2.382514 4.121402 0.212791 ESP Fit Center 2048 is at -2.611764 3.764682 0.212791 ESP Fit Center 2049 is at -2.769362 3.371022 0.212791 ESP Fit Center 2050 is at -2.849611 2.954650 0.212791 ESP Fit Center 2051 is at -2.849611 2.530615 0.212791 ESP Fit Center 2052 is at 0.567705 4.534025 -0.193533 ESP Fit Center 2053 is at 0.195222 4.733121 -0.193533 ESP Fit Center 2054 is at -0.208946 4.855724 -0.193533 ESP Fit Center 2055 is at -0.629266 4.897122 -0.193533 ESP Fit Center 2056 is at -1.049586 4.855724 -0.193533 ESP Fit Center 2057 is at -1.453753 4.733121 -0.193533 ESP Fit Center 2058 is at -1.826236 4.534025 -0.193533 ESP Fit Center 2059 is at -2.152720 4.266087 -0.193533 ESP Fit Center 2060 is at -2.420658 3.939603 -0.193533 ESP Fit Center 2061 is at -2.619754 3.567120 -0.193533 ESP Fit Center 2062 is at -2.742357 3.162953 -0.193533 ESP Fit Center 2063 is at -2.783755 2.742633 -0.193533 ESP Fit Center 2064 is at 0.373317 4.479157 -0.578982 ESP Fit Center 2065 is at -0.009635 4.649659 -0.578982 ESP Fit Center 2066 is at -0.419669 4.736814 -0.578982 ESP Fit Center 2067 is at -0.838863 4.736814 -0.578982 ESP Fit Center 2068 is at -1.248896 4.649659 -0.578982 ESP Fit Center 2069 is at -1.631849 4.479157 -0.578982 ESP Fit Center 2070 is at -1.970983 4.232761 -0.578982 ESP Fit Center 2071 is at -2.251479 3.921240 -0.578982 ESP Fit Center 2072 is at -2.461076 3.558207 -0.578982 ESP Fit Center 2073 is at -2.590614 3.159530 -0.578982 ESP Fit Center 2074 is at 0.438190 4.176475 -0.930430 ESP Fit Center 2075 is at 0.078750 4.383998 -0.930430 ESP Fit Center 2076 is at -0.318859 4.503034 -0.930430 ESP Fit Center 2077 is at -0.733203 4.527167 -0.930430 ESP Fit Center 2078 is at -1.141943 4.455095 -0.930430 ESP Fit Center 2079 is at -1.523045 4.290704 -0.930430 ESP Fit Center 2080 is at -1.855963 4.042856 -0.930430 ESP Fit Center 2081 is at -2.122749 3.724912 -0.930430 ESP Fit Center 2082 is at -2.309021 3.354014 -0.930430 ESP Fit Center 2083 is at 0.358970 3.883118 -1.235908 ESP Fit Center 2084 is at -0.002372 4.115339 -1.235908 ESP Fit Center 2085 is at -0.414501 4.236351 -1.235908 ESP Fit Center 2086 is at -0.844030 4.236351 -1.235908 ESP Fit Center 2087 is at -1.256159 4.115339 -1.235908 ESP Fit Center 2088 is at -1.617502 3.883118 -1.235908 ESP Fit Center 2089 is at -1.898783 3.558502 -1.235908 ESP Fit Center 2090 is at 0.242180 3.537060 -1.485014 ESP Fit Center 2091 is at -0.103647 3.798216 -1.485014 ESP Fit Center 2092 is at -0.520462 3.916810 -1.485014 ESP Fit Center 2093 is at -0.951971 3.876825 -1.485014 ESP Fit Center 2094 is at -1.339897 3.683661 -1.485014 ESP Fit Center 2095 is at -1.631849 3.363406 -1.485014 ESP Fit Center 2096 is at -0.224675 3.443404 -1.669266 ESP Fit Center 2097 is at -0.629266 3.551814 -1.669266 ESP Fit Center 2098 is at -1.033856 3.443404 -1.669266 ESP Fit Center 2099 is at -1.330037 3.147223 -1.669266 ESP Fit Center 2100 is at -0.423466 3.099088 -1.782388 ESP Fit Center 2101 is at -0.835065 3.099088 -1.782388 ESP Fit Center 2102 is at 0.121631 1.825883 2.650609 ESP Fit Center 2103 is at 0.538386 1.825883 2.614148 ESP Fit Center 2104 is at 0.330008 2.186804 2.614148 ESP Fit Center 2105 is at -0.086747 2.186804 2.614148 ESP Fit Center 2106 is at -0.295125 1.825883 2.614148 ESP Fit Center 2107 is at -0.086747 1.464962 2.614148 ESP Fit Center 2108 is at 0.330008 1.464962 2.614148 ESP Fit Center 2109 is at 0.942479 1.825883 2.505872 ESP Fit Center 2110 is at 0.832506 2.236307 2.505872 ESP Fit Center 2111 is at 0.532055 2.536758 2.505872 ESP Fit Center 2112 is at -0.699218 1.825883 2.505872 ESP Fit Center 2113 is at -0.589245 1.415458 2.505872 ESP Fit Center 2114 is at -0.288794 1.115007 2.505872 ESP Fit Center 2115 is at 0.121631 1.005034 2.505872 ESP Fit Center 2116 is at 0.532055 1.115007 2.505872 ESP Fit Center 2117 is at 0.832506 1.415458 2.505872 ESP Fit Center 2118 is at 0.721631 2.865113 2.329070 ESP Fit Center 2119 is at 0.721631 0.786652 2.329070 ESP Fit Center 2120 is at 1.040884 1.054537 2.329070 ESP Fit Center 2121 is at 1.174599 0.698429 2.089116 ESP Fit Center 2122 is at 0.330008 3.007652 -1.827852 ESP Fit Center 2123 is at -0.086747 3.007652 -1.827852 ESP Fit Center 2124 is at -0.478369 2.865113 -1.827852 ESP Fit Center 2125 is at 0.121631 2.646731 -2.004653 ESP Fit Center 2126 is at -0.288794 2.536758 -2.004653 ESP Fit Center 2127 is at 0.532055 1.115007 -2.004653 ESP Fit Center 2128 is at 0.538386 1.825883 -2.112929 ESP Fit Center 2129 is at 0.330008 2.186804 -2.112929 ESP Fit Center 2130 is at -0.086747 2.186804 -2.112929 ESP Fit Center 2131 is at -0.295125 1.825883 -2.112929 ESP Fit Center 2132 is at -0.086747 1.464962 -2.112929 ESP Fit Center 2133 is at 0.330008 1.464962 -2.112929 ESP Fit Center 2134 is at 0.121631 1.825883 -2.149391 ESP Fit Center 2135 is at 1.481374 2.059917 2.529290 ESP Fit Center 2136 is at 1.898130 2.059917 2.492829 ESP Fit Center 2137 is at 1.689752 2.420838 2.492829 ESP Fit Center 2138 is at 1.272997 2.420838 2.492829 ESP Fit Center 2139 is at 1.064619 2.059917 2.492829 ESP Fit Center 2140 is at 1.272997 1.698996 2.492829 ESP Fit Center 2141 is at 1.689752 1.698996 2.492829 ESP Fit Center 2142 is at 2.302223 2.059917 2.384553 ESP Fit Center 2143 is at 2.192250 2.470341 2.384553 ESP Fit Center 2144 is at 1.891799 2.770792 2.384553 ESP Fit Center 2145 is at 1.481374 2.880765 2.384553 ESP Fit Center 2146 is at 1.070950 2.770792 2.384553 ESP Fit Center 2147 is at 1.481374 1.239068 2.384553 ESP Fit Center 2148 is at 1.891799 1.349041 2.384553 ESP Fit Center 2149 is at 2.192250 1.649492 2.384553 ESP Fit Center 2150 is at 2.681374 2.059917 2.207751 ESP Fit Center 2151 is at 2.609006 2.470341 2.207751 ESP Fit Center 2152 is at 2.400628 2.831262 2.207751 ESP Fit Center 2153 is at 2.081374 3.099147 2.207751 ESP Fit Center 2154 is at 1.689752 3.241686 2.207751 ESP Fit Center 2155 is at 1.272997 3.241686 2.207751 ESP Fit Center 2156 is at 0.881374 3.099147 2.207751 ESP Fit Center 2157 is at 1.272997 0.878147 2.207751 ESP Fit Center 2158 is at 1.689752 0.878147 2.207751 ESP Fit Center 2159 is at 2.966858 2.476129 1.967797 ESP Fit Center 2160 is at 2.799479 2.861474 1.967797 ESP Fit Center 2161 is at 2.534343 3.187370 1.967797 ESP Fit Center 2162 is at 0.964759 3.513533 1.967797 ESP Fit Center 2163 is at 3.124324 2.885037 1.671981 ESP Fit Center 2164 is at 0.566032 3.925968 -1.070710 ESP Fit Center 2165 is at 2.889752 3.241686 -1.413400 ESP Fit Center 2166 is at 0.954085 3.821187 -1.413400 ESP Fit Center 2167 is at 0.562121 3.652110 -1.413400 ESP Fit Center 2168 is at 2.799479 2.861474 -1.709216 ESP Fit Center 2169 is at 2.534343 3.187370 -1.709216 ESP Fit Center 2170 is at 2.191112 3.429648 -1.709216 ESP Fit Center 2171 is at 1.795244 3.570340 -1.709216 ESP Fit Center 2172 is at 1.376098 3.599010 -1.709216 ESP Fit Center 2173 is at 0.964759 3.513533 -1.709216 ESP Fit Center 2174 is at 0.591735 3.320248 -1.709216 ESP Fit Center 2175 is at 2.400628 2.831262 -1.949170 ESP Fit Center 2176 is at 2.081374 3.099147 -1.949170 ESP Fit Center 2177 is at 1.689752 3.241686 -1.949170 ESP Fit Center 2178 is at 1.272997 3.241686 -1.949170 ESP Fit Center 2179 is at 0.881374 3.099147 -1.949170 ESP Fit Center 2180 is at 0.562121 2.831262 -1.949170 ESP Fit Center 2181 is at 0.881374 1.020686 -1.949170 ESP Fit Center 2182 is at 2.192250 2.470341 -2.125972 ESP Fit Center 2183 is at 1.891799 2.770792 -2.125972 ESP Fit Center 2184 is at 1.481374 2.880765 -2.125972 ESP Fit Center 2185 is at 1.070950 2.770792 -2.125972 ESP Fit Center 2186 is at 0.770499 2.470341 -2.125972 ESP Fit Center 2187 is at 0.660526 2.059917 -2.125972 ESP Fit Center 2188 is at 0.770499 1.649492 -2.125972 ESP Fit Center 2189 is at 1.070950 1.349041 -2.125972 ESP Fit Center 2190 is at 1.898130 2.059917 -2.234248 ESP Fit Center 2191 is at 1.689752 2.420838 -2.234248 ESP Fit Center 2192 is at 1.272997 2.420838 -2.234248 ESP Fit Center 2193 is at 1.064619 2.059917 -2.234248 ESP Fit Center 2194 is at 1.272997 1.698996 -2.234248 ESP Fit Center 2195 is at 1.481374 2.059917 -2.270710 ESP Fit Center 2196 is at 2.482564 1.146168 2.349957 ESP Fit Center 2197 is at 2.899320 1.146168 2.313495 ESP Fit Center 2198 is at 2.690942 1.507089 2.313495 ESP Fit Center 2199 is at 2.065809 1.146168 2.313495 ESP Fit Center 2200 is at 2.274186 0.785247 2.313495 ESP Fit Center 2201 is at 2.690942 0.785247 2.313495 ESP Fit Center 2202 is at 3.303413 1.146168 2.205219 ESP Fit Center 2203 is at 3.193440 1.556592 2.205219 ESP Fit Center 2204 is at 2.892988 1.857043 2.205219 ESP Fit Center 2205 is at 1.771689 0.735744 2.205219 ESP Fit Center 2206 is at 2.072140 0.435292 2.205219 ESP Fit Center 2207 is at 2.482564 0.325320 2.205219 ESP Fit Center 2208 is at 3.193440 0.735744 2.205219 ESP Fit Center 2209 is at 3.082564 2.185398 2.028418 ESP Fit Center 2210 is at 2.796434 2.656591 -1.888550 ESP Fit Center 2211 is at 2.690942 2.327937 -2.128504 ESP Fit Center 2212 is at 2.274186 2.327937 -2.128504 ESP Fit Center 2213 is at 1.282564 1.146168 -2.128504 ESP Fit Center 2214 is at 3.303413 1.146168 -2.305306 ESP Fit Center 2215 is at 3.193440 1.556592 -2.305306 ESP Fit Center 2216 is at 2.892988 1.857043 -2.305306 ESP Fit Center 2217 is at 2.482564 1.967016 -2.305306 ESP Fit Center 2218 is at 2.072140 1.857043 -2.305306 ESP Fit Center 2219 is at 1.771689 1.556592 -2.305306 ESP Fit Center 2220 is at 1.661716 1.146168 -2.305306 ESP Fit Center 2221 is at 3.193440 0.735744 -2.305306 ESP Fit Center 2222 is at 2.899320 1.146168 -2.413582 ESP Fit Center 2223 is at 2.690942 1.507089 -2.413582 ESP Fit Center 2224 is at 2.274186 1.507089 -2.413582 ESP Fit Center 2225 is at 2.065809 1.146168 -2.413582 ESP Fit Center 2226 is at 2.274186 0.785247 -2.413582 ESP Fit Center 2227 is at 2.690942 0.785247 -2.413582 ESP Fit Center 2228 is at 2.482564 1.146168 -2.450043 ESP Fit Center 2229 is at 3.637243 1.465396 2.135960 ESP Fit Center 2230 is at 4.048842 1.465396 2.097820 ESP Fit Center 2231 is at 3.843042 1.821851 2.097820 ESP Fit Center 2232 is at 3.431443 1.821851 2.097820 ESP Fit Center 2233 is at 3.843042 1.108940 2.097820 ESP Fit Center 2234 is at 4.446424 1.465396 1.984698 ESP Fit Center 2235 is at 4.338014 1.869986 1.984698 ESP Fit Center 2236 is at 4.041833 2.166167 1.984698 ESP Fit Center 2237 is at 3.637243 2.274577 1.984698 ESP Fit Center 2238 is at 4.338014 1.060805 1.984698 ESP Fit Center 2239 is at 4.816451 1.465396 1.800447 ESP Fit Center 2240 is at 4.736822 1.891375 1.800447 ESP Fit Center 2241 is at 4.508688 2.259823 1.800447 ESP Fit Center 2242 is at 4.162861 2.520979 1.800447 ESP Fit Center 2243 is at 3.746046 2.639573 1.800447 ESP Fit Center 2244 is at 3.314537 2.599588 1.800447 ESP Fit Center 2245 is at 4.736822 1.039417 1.800447 ESP Fit Center 2246 is at 5.146321 1.465396 1.551340 ESP Fit Center 2247 is at 5.085193 1.890552 1.551340 ESP Fit Center 2248 is at 4.906760 2.281265 1.551340 ESP Fit Center 2249 is at 4.625479 2.605881 1.551340 ESP Fit Center 2250 is at 4.264137 2.838101 1.551340 ESP Fit Center 2251 is at 3.852007 2.959114 1.551340 ESP Fit Center 2252 is at 3.422479 2.959114 1.551340 ESP Fit Center 2253 is at 4.906760 0.649526 1.551340 ESP Fit Center 2254 is at 5.085193 1.040239 1.551340 ESP Fit Center 2255 is at 5.424801 1.465396 1.245862 ESP Fit Center 2256 is at 5.376618 1.877635 1.245862 ESP Fit Center 2257 is at 5.234664 2.267650 1.245862 ESP Fit Center 2258 is at 5.006592 2.614416 1.245862 ESP Fit Center 2259 is at 4.704699 2.899238 1.245862 ESP Fit Center 2260 is at 4.345259 3.106761 1.245862 ESP Fit Center 2261 is at 3.947649 3.225797 1.245862 ESP Fit Center 2262 is at 3.533306 3.249930 1.245862 ESP Fit Center 2263 is at 5.234664 0.663141 1.245862 ESP Fit Center 2264 is at 5.376618 1.053156 1.245862 ESP Fit Center 2265 is at 5.642409 1.465396 0.894414 ESP Fit Center 2266 is at 5.598591 1.882293 0.894414 ESP Fit Center 2267 is at 5.469053 2.280970 0.894414 ESP Fit Center 2268 is at 5.259456 2.644002 0.894414 ESP Fit Center 2269 is at 4.978961 2.955524 0.894414 ESP Fit Center 2270 is at 4.639826 3.201920 0.894414 ESP Fit Center 2271 is at 4.256873 3.372422 0.894414 ESP Fit Center 2272 is at 3.846840 3.459577 0.894414 ESP Fit Center 2273 is at 5.259456 0.286789 0.894414 ESP Fit Center 2274 is at 5.469053 0.649821 0.894414 ESP Fit Center 2275 is at 5.598591 1.048498 0.894414 ESP Fit Center 2276 is at 5.791732 1.465396 0.508965 ESP Fit Center 2277 is at 5.750334 1.885716 0.508965 ESP Fit Center 2278 is at 5.627732 2.289883 0.508965 ESP Fit Center 2279 is at 5.428635 2.662366 0.508965 ESP Fit Center 2280 is at 5.160697 2.988850 0.508965 ESP Fit Center 2281 is at 4.834213 3.256788 0.508965 ESP Fit Center 2282 is at 4.461730 3.455884 0.508965 ESP Fit Center 2283 is at 4.057563 3.578487 0.508965 ESP Fit Center 2284 is at 3.637243 3.619885 0.508965 ESP Fit Center 2285 is at 5.160697 -0.058058 0.508965 ESP Fit Center 2286 is at 5.428635 0.268425 0.508965 ESP Fit Center 2287 is at 5.627732 0.640908 0.508965 ESP Fit Center 2288 is at 5.750334 1.045076 0.508965 ESP Fit Center 2289 is at 5.867687 1.465396 0.102641 ESP Fit Center 2290 is at 5.827380 1.887510 0.102641 ESP Fit Center 2291 is at 5.707916 2.294368 0.102641 ESP Fit Center 2292 is at 5.513612 2.671265 0.102641 ESP Fit Center 2293 is at 5.251491 3.004579 0.102641 ESP Fit Center 2294 is at 4.931028 3.282262 0.102641 ESP Fit Center 2295 is at 4.563803 3.494279 0.102641 ESP Fit Center 2296 is at 4.163090 3.632967 0.102641 ESP Fit Center 2297 is at 3.743372 3.693314 0.102641 ESP Fit Center 2298 is at 5.513612 0.259526 0.102641 ESP Fit Center 2299 is at 5.707916 0.636423 0.102641 ESP Fit Center 2300 is at 5.827380 1.043281 0.102641 ESP Fit Center 2301 is at 5.867687 1.465396 -0.310721 ESP Fit Center 2302 is at 5.827380 1.887510 -0.310721 ESP Fit Center 2303 is at 5.707916 2.294368 -0.310721 ESP Fit Center 2304 is at 5.513612 2.671265 -0.310721 ESP Fit Center 2305 is at 5.251491 3.004579 -0.310721 ESP Fit Center 2306 is at 4.931028 3.282262 -0.310721 ESP Fit Center 2307 is at 4.563803 3.494279 -0.310721 ESP Fit Center 2308 is at 4.163090 3.632967 -0.310721 ESP Fit Center 2309 is at 3.743372 3.693314 -0.310721 ESP Fit Center 2310 is at 5.513612 0.259526 -0.310721 ESP Fit Center 2311 is at 5.707916 0.636423 -0.310721 ESP Fit Center 2312 is at 5.827380 1.043281 -0.310721 ESP Fit Center 2313 is at 5.791732 1.465396 -0.717045 ESP Fit Center 2314 is at 5.750334 1.885716 -0.717045 ESP Fit Center 2315 is at 5.627732 2.289883 -0.717045 ESP Fit Center 2316 is at 5.428635 2.662366 -0.717045 ESP Fit Center 2317 is at 5.160697 2.988850 -0.717045 ESP Fit Center 2318 is at 4.834213 3.256788 -0.717045 ESP Fit Center 2319 is at 4.461730 3.455884 -0.717045 ESP Fit Center 2320 is at 4.057563 3.578487 -0.717045 ESP Fit Center 2321 is at 3.637243 3.619885 -0.717045 ESP Fit Center 2322 is at 5.627732 0.640908 -0.717045 ESP Fit Center 2323 is at 5.750334 1.045076 -0.717045 ESP Fit Center 2324 is at 5.642409 1.465396 -1.102494 ESP Fit Center 2325 is at 5.598591 1.882293 -1.102494 ESP Fit Center 2326 is at 5.469053 2.280970 -1.102494 ESP Fit Center 2327 is at 5.259456 2.644002 -1.102494 ESP Fit Center 2328 is at 4.978961 2.955524 -1.102494 ESP Fit Center 2329 is at 4.639826 3.201920 -1.102494 ESP Fit Center 2330 is at 4.256873 3.372422 -1.102494 ESP Fit Center 2331 is at 3.846840 3.459577 -1.102494 ESP Fit Center 2332 is at 3.427646 3.459577 -1.102494 ESP Fit Center 2333 is at 5.469053 0.649821 -1.102494 ESP Fit Center 2334 is at 5.598591 1.048498 -1.102494 ESP Fit Center 2335 is at 5.424801 1.465396 -1.453941 ESP Fit Center 2336 is at 5.376618 1.877635 -1.453941 ESP Fit Center 2337 is at 5.234664 2.267650 -1.453941 ESP Fit Center 2338 is at 5.006592 2.614416 -1.453941 ESP Fit Center 2339 is at 4.704699 2.899238 -1.453941 ESP Fit Center 2340 is at 4.345259 3.106761 -1.453941 ESP Fit Center 2341 is at 3.947649 3.225797 -1.453941 ESP Fit Center 2342 is at 3.533306 3.249930 -1.453941 ESP Fit Center 2343 is at 3.124565 3.177858 -1.453941 ESP Fit Center 2344 is at 5.234664 0.663141 -1.453941 ESP Fit Center 2345 is at 5.376618 1.053156 -1.453941 ESP Fit Center 2346 is at 5.146321 1.465396 -1.759420 ESP Fit Center 2347 is at 5.085193 1.890552 -1.759420 ESP Fit Center 2348 is at 4.906760 2.281265 -1.759420 ESP Fit Center 2349 is at 4.625479 2.605881 -1.759420 ESP Fit Center 2350 is at 4.264137 2.838101 -1.759420 ESP Fit Center 2351 is at 3.852007 2.959114 -1.759420 ESP Fit Center 2352 is at 3.422479 2.959114 -1.759420 ESP Fit Center 2353 is at 3.010349 2.838101 -1.759420 ESP Fit Center 2354 is at 4.906760 0.649526 -1.759420 ESP Fit Center 2355 is at 5.085193 1.040239 -1.759420 ESP Fit Center 2356 is at 4.816451 1.465396 -2.008526 ESP Fit Center 2357 is at 4.736822 1.891375 -2.008526 ESP Fit Center 2358 is at 4.508688 2.259823 -2.008526 ESP Fit Center 2359 is at 4.162861 2.520979 -2.008526 ESP Fit Center 2360 is at 3.746046 2.639573 -2.008526 ESP Fit Center 2361 is at 3.314537 2.599588 -2.008526 ESP Fit Center 2362 is at 4.508688 0.670968 -2.008526 ESP Fit Center 2363 is at 4.736822 1.039417 -2.008526 ESP Fit Center 2364 is at 4.446424 1.465396 -2.192777 ESP Fit Center 2365 is at 4.338014 1.869986 -2.192777 ESP Fit Center 2366 is at 4.041833 2.166167 -2.192777 ESP Fit Center 2367 is at 3.637243 2.274577 -2.192777 ESP Fit Center 2368 is at 3.232652 2.166167 -2.192777 ESP Fit Center 2369 is at 3.637243 0.656214 -2.192777 ESP Fit Center 2370 is at 4.041833 0.764624 -2.192777 ESP Fit Center 2371 is at 4.338014 1.060805 -2.192777 ESP Fit Center 2372 is at 4.048842 1.465396 -2.305899 ESP Fit Center 2373 is at 3.843042 1.821851 -2.305899 ESP Fit Center 2374 is at 3.431443 1.821851 -2.305899 ESP Fit Center 2375 is at 3.431443 1.108940 -2.305899 ESP Fit Center 2376 is at 3.843042 1.108940 -2.305899 ESP Fit Center 2377 is at 3.637243 1.465396 -2.344040 ESP Fit Center 2378 is at 2.049610 -0.149816 2.250492 ESP Fit Center 2379 is at 2.257988 0.211105 2.214030 ESP Fit Center 2380 is at 1.841232 0.211105 2.214030 ESP Fit Center 2381 is at 1.632854 -0.149816 2.214030 ESP Fit Center 2382 is at 1.449610 0.889414 -2.227969 ESP Fit Center 2383 is at 1.130356 0.621529 -2.227969 ESP Fit Center 2384 is at 2.760485 0.260608 -2.404771 ESP Fit Center 2385 is at 2.460034 0.561059 -2.404771 ESP Fit Center 2386 is at 2.049610 0.671032 -2.404771 ESP Fit Center 2387 is at 1.639186 0.561059 -2.404771 ESP Fit Center 2388 is at 1.338734 0.260608 -2.404771 ESP Fit Center 2389 is at 1.228761 -0.149816 -2.404771 ESP Fit Center 2390 is at 1.338734 -0.560240 -2.404771 ESP Fit Center 2391 is at 2.466365 -0.149816 -2.513047 ESP Fit Center 2392 is at 2.257988 0.211105 -2.513047 ESP Fit Center 2393 is at 1.841232 0.211105 -2.513047 ESP Fit Center 2394 is at 1.632854 -0.149816 -2.513047 ESP Fit Center 2395 is at 2.049610 -0.149816 -2.549508 ESP Fit Center 2396 is at 0.709342 -0.475645 2.367403 ESP Fit Center 2397 is at 1.126098 -0.475645 2.330942 ESP Fit Center 2398 is at 0.917720 -0.114724 2.330942 ESP Fit Center 2399 is at 0.292587 -0.475645 2.330942 ESP Fit Center 2400 is at 0.500965 -0.836566 2.330942 ESP Fit Center 2401 is at 0.917720 -0.836566 2.330942 ESP Fit Center 2402 is at 1.530191 -0.475645 2.222665 ESP Fit Center 2403 is at 1.420218 -0.065221 2.222665 ESP Fit Center 2404 is at 1.119767 0.235231 2.222665 ESP Fit Center 2405 is at -0.001533 -0.886069 2.222665 ESP Fit Center 2406 is at 0.298918 -1.186520 2.222665 ESP Fit Center 2407 is at 0.709342 -1.296493 2.222665 ESP Fit Center 2408 is at 1.119767 -1.186520 2.222665 ESP Fit Center 2409 is at 1.420218 -0.886069 2.222665 ESP Fit Center 2410 is at 1.309342 0.563586 2.045864 ESP Fit Center 2411 is at 0.109342 -1.514875 2.045864 ESP Fit Center 2412 is at 0.500965 -1.657414 2.045864 ESP Fit Center 2413 is at 0.192727 -1.929262 1.805910 ESP Fit Center 2414 is at 0.604066 -2.014739 1.805910 ESP Fit Center 2415 is at -0.487340 -1.449218 -1.871104 ESP Fit Center 2416 is at 0.917720 0.706124 -2.111058 ESP Fit Center 2417 is at 0.500965 0.706124 -2.111058 ESP Fit Center 2418 is at -0.209911 -1.246990 -2.111058 ESP Fit Center 2419 is at 0.109342 -1.514875 -2.111058 ESP Fit Center 2420 is at 0.500965 -1.657414 -2.111058 ESP Fit Center 2421 is at 0.709342 0.345204 -2.287859 ESP Fit Center 2422 is at 0.298918 0.235231 -2.287859 ESP Fit Center 2423 is at -0.001533 -0.065221 -2.287859 ESP Fit Center 2424 is at -0.111506 -0.475645 -2.287859 ESP Fit Center 2425 is at -0.001533 -0.886069 -2.287859 ESP Fit Center 2426 is at 0.298918 -1.186520 -2.287859 ESP Fit Center 2427 is at 0.709342 -1.296493 -2.287859 ESP Fit Center 2428 is at 1.126098 -0.475645 -2.396136 ESP Fit Center 2429 is at 0.917720 -0.114724 -2.396136 ESP Fit Center 2430 is at 0.500965 -0.114724 -2.396136 ESP Fit Center 2431 is at 0.292587 -0.475645 -2.396136 ESP Fit Center 2432 is at 0.500965 -0.836566 -2.396136 ESP Fit Center 2433 is at 0.917720 -0.836566 -2.396136 ESP Fit Center 2434 is at 0.709342 -0.475645 -2.432597 ESP Fit Center 2435 is at -0.266661 0.411243 2.559116 ESP Fit Center 2436 is at 0.150095 0.411243 2.522655 ESP Fit Center 2437 is at -0.058283 0.772164 2.522655 ESP Fit Center 2438 is at -0.475039 0.772164 2.522655 ESP Fit Center 2439 is at -0.683417 0.411243 2.522655 ESP Fit Center 2440 is at -0.475039 0.050322 2.522655 ESP Fit Center 2441 is at -0.058283 0.050322 2.522655 ESP Fit Center 2442 is at 0.554187 0.411243 2.414378 ESP Fit Center 2443 is at 0.444214 0.821667 2.414378 ESP Fit Center 2444 is at -0.677085 1.122118 2.414378 ESP Fit Center 2445 is at -0.266661 -0.409606 2.414378 ESP Fit Center 2446 is at 0.143763 -0.299633 2.414378 ESP Fit Center 2447 is at 0.444214 0.000819 2.414378 ESP Fit Center 2448 is at 0.933339 0.411243 2.237577 ESP Fit Center 2449 is at -0.058283 -0.770526 2.237577 ESP Fit Center 2450 is at 0.444214 0.821667 -2.096146 ESP Fit Center 2451 is at 0.143763 1.122118 -2.096146 ESP Fit Center 2452 is at -0.266661 1.232091 -2.096146 ESP Fit Center 2453 is at 0.150095 0.411243 -2.204423 ESP Fit Center 2454 is at -0.058283 0.772164 -2.204423 ESP Fit Center 2455 is at -0.266661 0.411243 -2.240884 ESP Fit Center 2456 is at 5.343576 -0.297902 0.414360 ESP Fit Center 2457 is at 5.633125 -0.720816 0.050317 ESP Fit Center 2458 is at 5.582859 -0.306833 0.050317 ESP Fit Center 2459 is at 5.434980 0.083090 0.050317 ESP Fit Center 2460 is at 5.582859 -1.134798 0.050317 ESP Fit Center 2461 is at 5.775127 -0.720816 -0.355500 ESP Fit Center 2462 is at 5.728195 -0.304287 -0.355500 ESP Fit Center 2463 is at 5.589754 0.091355 -0.355500 ESP Fit Center 2464 is at 5.589754 -1.532986 -0.355500 ESP Fit Center 2465 is at 5.728195 -1.137344 -0.355500 ESP Fit Center 2466 is at 5.823265 -0.720816 -0.782740 ESP Fit Center 2467 is at 5.778377 -0.308073 -0.782740 ESP Fit Center 2468 is at 5.645810 0.085371 -0.782740 ESP Fit Center 2469 is at 5.431764 -1.882750 -0.782740 ESP Fit Center 2470 is at 5.645810 -1.527003 -0.782740 ESP Fit Center 2471 is at 5.778377 -1.133559 -0.782740 ESP Fit Center 2472 is at 5.775127 -0.720816 -1.209980 ESP Fit Center 2473 is at 5.728195 -0.304287 -1.209980 ESP Fit Center 2474 is at 5.589754 0.091355 -1.209980 ESP Fit Center 2475 is at 5.366745 0.446271 -1.209980 ESP Fit Center 2476 is at 5.070352 -2.184296 -1.209980 ESP Fit Center 2477 is at 5.366745 -1.887902 -1.209980 ESP Fit Center 2478 is at 5.589754 -1.532986 -1.209980 ESP Fit Center 2479 is at 5.728195 -1.137344 -1.209980 ESP Fit Center 2480 is at 5.633125 -0.720816 -1.615797 ESP Fit Center 2481 is at 5.582859 -0.306833 -1.615797 ESP Fit Center 2482 is at 5.434980 0.083090 -1.615797 ESP Fit Center 2483 is at 5.198084 0.426294 -1.615797 ESP Fit Center 2484 is at 5.198084 -1.867925 -1.615797 ESP Fit Center 2485 is at 5.434980 -1.524722 -1.615797 ESP Fit Center 2486 is at 5.582859 -1.134798 -1.615797 ESP Fit Center 2487 is at 5.404382 -0.720816 -1.979840 ESP Fit Center 2488 is at 5.343576 -0.297902 -1.979840 ESP Fit Center 2489 is at 5.166085 0.090749 -1.979840 ESP Fit Center 2490 is at 4.886287 0.413652 -1.979840 ESP Fit Center 2491 is at 4.886287 -1.855284 -1.979840 ESP Fit Center 2492 is at 5.166085 -1.532381 -1.979840 ESP Fit Center 2493 is at 5.343576 -1.143729 -1.979840 ESP Fit Center 2494 is at 5.100366 -0.720816 -2.283856 ESP Fit Center 2495 is at 5.028172 -0.311383 -2.283856 ESP Fit Center 2496 is at 4.820297 0.048666 -2.283856 ESP Fit Center 2497 is at 4.501815 0.315904 -2.283856 ESP Fit Center 2498 is at 4.111139 0.458098 -2.283856 ESP Fit Center 2499 is at 3.695391 0.458098 -2.283856 ESP Fit Center 2500 is at 3.304715 0.315904 -2.283856 ESP Fit Center 2501 is at 4.501815 -1.757535 -2.283856 ESP Fit Center 2502 is at 4.820297 -1.490297 -2.283856 ESP Fit Center 2503 is at 5.028172 -1.130248 -2.283856 ESP Fit Center 2504 is at 4.736322 -0.720816 -2.512600 ESP Fit Center 2505 is at 4.624713 -0.304287 -2.512600 ESP Fit Center 2506 is at 4.319794 0.000633 -2.512600 ESP Fit Center 2507 is at 3.903265 0.112241 -2.512600 ESP Fit Center 2508 is at 3.486737 0.000633 -2.512600 ESP Fit Center 2509 is at 4.319794 -1.442264 -2.512600 ESP Fit Center 2510 is at 4.624713 -1.137344 -2.512600 ESP Fit Center 2511 is at 4.330505 -0.720816 -2.654602 ESP Fit Center 2512 is at 4.116885 -0.350815 -2.654602 ESP Fit Center 2513 is at 3.689645 -0.350815 -2.654602 ESP Fit Center 2514 is at 3.476025 -0.720816 -2.654602 ESP Fit Center 2515 is at 4.116885 -1.090817 -2.654602 ESP Fit Center 2516 is at 3.903265 -0.720816 -2.702740 ESP Fit Center 2517 is at 3.882741 -1.049265 3.581151 ESP Fit Center 2518 is at 4.309981 -1.049265 3.533013 ESP Fit Center 2519 is at 4.096361 -0.679264 3.533013 ESP Fit Center 2520 is at 3.669121 -0.679264 3.533013 ESP Fit Center 2521 is at 3.455500 -1.049265 3.533013 ESP Fit Center 2522 is at 3.669121 -1.419266 3.533013 ESP Fit Center 2523 is at 4.096361 -1.419266 3.533013 ESP Fit Center 2524 is at 4.715797 -1.049265 3.391011 ESP Fit Center 2525 is at 4.604189 -0.632736 3.391011 ESP Fit Center 2526 is at 4.299269 -0.327816 3.391011 ESP Fit Center 2527 is at 3.882741 -0.216208 3.391011 ESP Fit Center 2528 is at 3.466212 -0.327816 3.391011 ESP Fit Center 2529 is at 3.161292 -0.632736 3.391011 ESP Fit Center 2530 is at 3.049684 -1.049265 3.391011 ESP Fit Center 2531 is at 3.161292 -1.465793 3.391011 ESP Fit Center 2532 is at 3.882741 -1.882322 3.391011 ESP Fit Center 2533 is at 4.299269 -1.770713 3.391011 ESP Fit Center 2534 is at 4.604189 -1.465793 3.391011 ESP Fit Center 2535 is at 5.079841 -1.049265 3.162268 ESP Fit Center 2536 is at 5.007647 -0.639832 3.162268 ESP Fit Center 2537 is at 4.799773 -0.279783 3.162268 ESP Fit Center 2538 is at 4.481291 -0.012545 3.162268 ESP Fit Center 2539 is at 4.090615 0.129649 3.162268 ESP Fit Center 2540 is at 3.674866 0.129649 3.162268 ESP Fit Center 2541 is at 3.284190 -0.012545 3.162268 ESP Fit Center 2542 is at 2.965709 -0.279783 3.162268 ESP Fit Center 2543 is at 2.757834 -0.639832 3.162268 ESP Fit Center 2544 is at 2.685640 -1.049265 3.162268 ESP Fit Center 2545 is at 4.799773 -1.818746 3.162268 ESP Fit Center 2546 is at 5.007647 -1.458697 3.162268 ESP Fit Center 2547 is at 5.383857 -1.049265 2.858252 ESP Fit Center 2548 is at 5.323051 -0.626351 2.858252 ESP Fit Center 2549 is at 5.145560 -0.237700 2.858252 ESP Fit Center 2550 is at 4.865763 0.085203 2.858252 ESP Fit Center 2551 is at 4.506327 0.316199 2.858252 ESP Fit Center 2552 is at 4.096372 0.436572 2.858252 ESP Fit Center 2553 is at 3.669109 0.436572 2.858252 ESP Fit Center 2554 is at 3.259154 0.316199 2.858252 ESP Fit Center 2555 is at 2.899718 0.085203 2.858252 ESP Fit Center 2556 is at 2.619921 -0.237700 2.858252 ESP Fit Center 2557 is at 2.442430 -0.626351 2.858252 ESP Fit Center 2558 is at 5.145560 -1.860830 2.858252 ESP Fit Center 2559 is at 5.323051 -1.472178 2.858252 ESP Fit Center 2560 is at 5.612601 -1.049265 2.494208 ESP Fit Center 2561 is at 5.562334 -0.635282 2.494208 ESP Fit Center 2562 is at 5.414456 -0.245359 2.494208 ESP Fit Center 2563 is at 5.177560 0.097845 2.494208 ESP Fit Center 2564 is at 4.865413 0.374382 2.494208 ESP Fit Center 2565 is at 4.496158 0.568183 2.494208 ESP Fit Center 2566 is at 4.091252 0.667983 2.494208 ESP Fit Center 2567 is at 3.674229 0.667983 2.494208 ESP Fit Center 2568 is at 3.269324 0.568183 2.494208 ESP Fit Center 2569 is at 2.900068 0.374382 2.494208 ESP Fit Center 2570 is at 2.587922 0.097845 2.494208 ESP Fit Center 2571 is at 2.351025 -0.245359 2.494208 ESP Fit Center 2572 is at 5.414456 -1.853171 2.494208 ESP Fit Center 2573 is at 5.562334 -1.463247 2.494208 ESP Fit Center 2574 is at 5.754602 -1.049265 2.088391 ESP Fit Center 2575 is at 5.707671 -0.632736 2.088391 ESP Fit Center 2576 is at 5.569230 -0.237094 2.088391 ESP Fit Center 2577 is at 5.346221 0.117822 2.088391 ESP Fit Center 2578 is at 5.049827 0.414216 2.088391 ESP Fit Center 2579 is at 4.694911 0.637224 2.088391 ESP Fit Center 2580 is at 4.299269 0.775665 2.088391 ESP Fit Center 2581 is at 3.882741 0.822597 2.088391 ESP Fit Center 2582 is at 5.707671 -1.465793 2.088391 ESP Fit Center 2583 is at 5.802741 -1.049265 1.661151 ESP Fit Center 2584 is at 5.757852 -0.636522 1.661151 ESP Fit Center 2585 is at 5.625285 -0.243078 1.661151 ESP Fit Center 2586 is at 5.411239 0.112670 1.661151 ESP Fit Center 2587 is at 5.125722 0.414086 1.661151 ESP Fit Center 2588 is at 4.782085 0.647078 1.661151 ESP Fit Center 2589 is at 5.757852 -1.462008 1.661151 ESP Fit Center 2590 is at 5.754602 -1.049265 1.233911 ESP Fit Center 2591 is at 5.707671 -0.632736 1.233911 ESP Fit Center 2592 is at 5.569230 -0.237094 1.233911 ESP Fit Center 2593 is at 5.346221 0.117822 1.233911 ESP Fit Center 2594 is at 5.562334 -0.635282 0.828094 ESP Fit Center 2595 is at 5.414456 -0.245359 0.828094 ESP Fit Center 2596 is at 5.177560 0.097845 0.828094 ESP Fit Center 2597 is at 4.627624 -3.299277 2.591666 ESP Fit Center 2598 is at 4.932544 -2.994357 2.591666 ESP Fit Center 2599 is at 5.408196 -2.577829 2.362922 ESP Fit Center 2600 is at 4.003222 -3.756743 2.362922 ESP Fit Center 2601 is at 4.418970 -3.756743 2.362922 ESP Fit Center 2602 is at 4.809646 -3.614548 2.362922 ESP Fit Center 2603 is at 5.128128 -3.347310 2.362922 ESP Fit Center 2604 is at 5.336002 -2.987261 2.362922 ESP Fit Center 2605 is at 5.712212 -2.577829 2.058906 ESP Fit Center 2606 is at 5.651407 -2.154915 2.058906 ESP Fit Center 2607 is at 3.997465 -4.063666 2.058906 ESP Fit Center 2608 is at 4.424727 -4.063666 2.058906 ESP Fit Center 2609 is at 4.834682 -3.943292 2.058906 ESP Fit Center 2610 is at 5.194118 -3.712297 2.058906 ESP Fit Center 2611 is at 5.473915 -3.389394 2.058906 ESP Fit Center 2612 is at 5.651407 -3.000742 2.058906 ESP Fit Center 2613 is at 5.940956 -2.577829 1.694862 ESP Fit Center 2614 is at 5.890689 -2.163846 1.694862 ESP Fit Center 2615 is at 3.597679 -4.195276 1.694862 ESP Fit Center 2616 is at 4.002584 -4.295076 1.694862 ESP Fit Center 2617 is at 4.419607 -4.295076 1.694862 ESP Fit Center 2618 is at 4.824513 -4.195276 1.694862 ESP Fit Center 2619 is at 5.193768 -4.001476 1.694862 ESP Fit Center 2620 is at 5.505915 -3.724938 1.694862 ESP Fit Center 2621 is at 5.742811 -3.381735 1.694862 ESP Fit Center 2622 is at 5.890689 -2.991811 1.694862 ESP Fit Center 2623 is at 6.082957 -2.577829 1.289046 ESP Fit Center 2624 is at 6.036026 -2.161300 1.289046 ESP Fit Center 2625 is at 5.897585 -1.765658 1.289046 ESP Fit Center 2626 is at 3.398926 -4.264318 1.289046 ESP Fit Center 2627 is at 3.794567 -4.402759 1.289046 ESP Fit Center 2628 is at 4.211096 -4.449690 1.289046 ESP Fit Center 2629 is at 4.627624 -4.402759 1.289046 ESP Fit Center 2630 is at 5.023266 -4.264318 1.289046 ESP Fit Center 2631 is at 5.378182 -4.041309 1.289046 ESP Fit Center 2632 is at 5.674576 -3.744915 1.289046 ESP Fit Center 2633 is at 5.897585 -3.389999 1.289046 ESP Fit Center 2634 is at 6.036026 -2.994357 1.289046 ESP Fit Center 2635 is at 6.131096 -2.577829 0.861806 ESP Fit Center 2636 is at 6.086207 -2.165086 0.861806 ESP Fit Center 2637 is at 5.953641 -1.771642 0.861806 ESP Fit Center 2638 is at 3.500431 -4.361464 0.861806 ESP Fit Center 2639 is at 3.900474 -4.472536 0.861806 ESP Fit Center 2640 is at 4.315043 -4.495013 0.861806 ESP Fit Center 2641 is at 4.724750 -4.427845 0.861806 ESP Fit Center 2642 is at 5.110440 -4.274172 0.861806 ESP Fit Center 2643 is at 5.454077 -4.041180 0.861806 ESP Fit Center 2644 is at 5.739595 -3.739763 0.861806 ESP Fit Center 2645 is at 5.953641 -3.384016 0.861806 ESP Fit Center 2646 is at 6.086207 -2.990572 0.861806 ESP Fit Center 2647 is at 6.082957 -2.577829 0.434565 ESP Fit Center 2648 is at 6.036026 -2.161300 0.434565 ESP Fit Center 2649 is at 5.897585 -1.765658 0.434565 ESP Fit Center 2650 is at 3.398926 -4.264318 0.434565 ESP Fit Center 2651 is at 3.794567 -4.402759 0.434565 ESP Fit Center 2652 is at 4.211096 -4.449690 0.434565 ESP Fit Center 2653 is at 4.627624 -4.402759 0.434565 ESP Fit Center 2654 is at 5.023266 -4.264318 0.434565 ESP Fit Center 2655 is at 5.378182 -4.041309 0.434565 ESP Fit Center 2656 is at 5.674576 -3.744915 0.434565 ESP Fit Center 2657 is at 5.897585 -3.389999 0.434565 ESP Fit Center 2658 is at 6.036026 -2.994357 0.434565 ESP Fit Center 2659 is at 5.940956 -2.577829 0.028749 ESP Fit Center 2660 is at 5.890689 -2.163846 0.028749 ESP Fit Center 2661 is at 5.742811 -1.773923 0.028749 ESP Fit Center 2662 is at 3.597679 -4.195276 0.028749 ESP Fit Center 2663 is at 4.002584 -4.295076 0.028749 ESP Fit Center 2664 is at 4.419607 -4.295076 0.028749 ESP Fit Center 2665 is at 4.824513 -4.195276 0.028749 ESP Fit Center 2666 is at 5.193768 -4.001476 0.028749 ESP Fit Center 2667 is at 5.505915 -3.724938 0.028749 ESP Fit Center 2668 is at 5.742811 -3.381735 0.028749 ESP Fit Center 2669 is at 5.890689 -2.991811 0.028749 ESP Fit Center 2670 is at 5.712212 -2.577829 -0.335295 ESP Fit Center 2671 is at 5.651407 -2.154915 -0.335295 ESP Fit Center 2672 is at 5.473915 -1.766264 -0.335295 ESP Fit Center 2673 is at 4.424727 -4.063666 -0.335295 ESP Fit Center 2674 is at 4.834682 -3.943292 -0.335295 ESP Fit Center 2675 is at 5.194118 -3.712297 -0.335295 ESP Fit Center 2676 is at 5.473915 -3.389394 -0.335295 ESP Fit Center 2677 is at 5.651407 -3.000742 -0.335295 ESP Fit Center 2678 is at 5.408196 -2.577829 -0.639311 ESP Fit Center 2679 is at 5.336002 -2.168396 -0.639311 ESP Fit Center 2680 is at 4.809646 -3.614548 -0.639311 ESP Fit Center 2681 is at 5.128128 -3.347310 -0.639311 ESP Fit Center 2682 is at 5.336002 -2.987261 -0.639311 ESP Fit Center 2683 is at 5.044153 -2.577829 -0.868055 ESP Fit Center 2684 is at 1.990689 3.380646 2.073272 ESP Fit Center 2685 is at 2.498517 3.427174 1.931270 ESP Fit Center 2686 is at 2.193597 3.732093 1.931270 ESP Fit Center 2687 is at 1.777069 3.843702 1.931270 ESP Fit Center 2688 is at 1.360540 3.732093 1.931270 ESP Fit Center 2689 is at 2.901975 3.420078 1.702527 ESP Fit Center 2690 is at 2.694101 3.780126 1.702527 ESP Fit Center 2691 is at 2.375619 4.047365 1.702527 ESP Fit Center 2692 is at 1.984943 4.189559 1.702527 ESP Fit Center 2693 is at 1.569195 4.189559 1.702527 ESP Fit Center 2694 is at 1.178519 4.047365 1.702527 ESP Fit Center 2695 is at 3.217380 3.433559 1.398511 ESP Fit Center 2696 is at 3.039888 3.822210 1.398511 ESP Fit Center 2697 is at 2.760091 4.145113 1.398511 ESP Fit Center 2698 is at 2.400655 4.376109 1.398511 ESP Fit Center 2699 is at 1.990700 4.496482 1.398511 ESP Fit Center 2700 is at 1.563438 4.496482 1.398511 ESP Fit Center 2701 is at 1.153483 4.376109 1.398511 ESP Fit Center 2702 is at 3.456663 3.424628 1.034467 ESP Fit Center 2703 is at 3.308784 3.814551 1.034467 ESP Fit Center 2704 is at 3.071888 4.157755 1.034467 ESP Fit Center 2705 is at 2.759741 4.434292 1.034467 ESP Fit Center 2706 is at 2.390486 4.628093 1.034467 ESP Fit Center 2707 is at 1.985580 4.727893 1.034467 ESP Fit Center 2708 is at 1.568557 4.727893 1.034467 ESP Fit Center 2709 is at 1.163652 4.628093 1.034467 ESP Fit Center 2710 is at 0.794396 4.434292 1.034467 ESP Fit Center 2711 is at 3.463558 3.822815 0.628650 ESP Fit Center 2712 is at 3.240549 4.177732 0.628650 ESP Fit Center 2713 is at 2.944155 4.474125 0.628650 ESP Fit Center 2714 is at 2.589239 4.697134 0.628650 ESP Fit Center 2715 is at 2.193597 4.835575 0.628650 ESP Fit Center 2716 is at 1.777069 4.882507 0.628650 ESP Fit Center 2717 is at 1.360540 4.835575 0.628650 ESP Fit Center 2718 is at 0.964899 4.697134 0.628650 ESP Fit Center 2719 is at 3.519614 3.816832 0.201410 ESP Fit Center 2720 is at 3.305568 4.172580 0.201410 ESP Fit Center 2721 is at 3.020051 4.473996 0.201410 ESP Fit Center 2722 is at 2.676413 4.706988 0.201410 ESP Fit Center 2723 is at 2.290723 4.860661 0.201410 ESP Fit Center 2724 is at 1.881016 4.927829 0.201410 ESP Fit Center 2725 is at 1.466447 4.905352 0.201410 ESP Fit Center 2726 is at 1.066404 4.794280 0.201410 ESP Fit Center 2727 is at 0.699590 4.599808 0.201410 ESP Fit Center 2728 is at 3.463558 3.822815 -0.225830 ESP Fit Center 2729 is at 3.240549 4.177732 -0.225830 ESP Fit Center 2730 is at 2.944155 4.474125 -0.225830 ESP Fit Center 2731 is at 2.589239 4.697134 -0.225830 ESP Fit Center 2732 is at 2.193597 4.835575 -0.225830 ESP Fit Center 2733 is at 1.777069 4.882507 -0.225830 ESP Fit Center 2734 is at 1.360540 4.835575 -0.225830 ESP Fit Center 2735 is at 0.964899 4.697134 -0.225830 ESP Fit Center 2736 is at 3.308784 3.814551 -0.631647 ESP Fit Center 2737 is at 3.071888 4.157755 -0.631647 ESP Fit Center 2738 is at 2.759741 4.434292 -0.631647 ESP Fit Center 2739 is at 2.390486 4.628093 -0.631647 ESP Fit Center 2740 is at 1.985580 4.727893 -0.631647 ESP Fit Center 2741 is at 1.568557 4.727893 -0.631647 ESP Fit Center 2742 is at 1.163652 4.628093 -0.631647 ESP Fit Center 2743 is at 0.794396 4.434292 -0.631647 ESP Fit Center 2744 is at 3.039888 3.822210 -0.995690 ESP Fit Center 2745 is at 2.760091 4.145113 -0.995690 ESP Fit Center 2746 is at 2.400655 4.376109 -0.995690 ESP Fit Center 2747 is at 1.990700 4.496482 -0.995690 ESP Fit Center 2748 is at 1.563438 4.496482 -0.995690 ESP Fit Center 2749 is at 1.153483 4.376109 -0.995690 ESP Fit Center 2750 is at 0.794047 4.145113 -0.995690 ESP Fit Center 2751 is at 2.901975 3.420078 -1.299706 ESP Fit Center 2752 is at 2.694101 3.780126 -1.299706 ESP Fit Center 2753 is at 2.375619 4.047365 -1.299706 ESP Fit Center 2754 is at 1.984943 4.189559 -1.299706 ESP Fit Center 2755 is at 1.569195 4.189559 -1.299706 ESP Fit Center 2756 is at 1.178519 4.047365 -1.299706 ESP Fit Center 2757 is at 2.193597 3.732093 -1.528450 ESP Fit Center 2758 is at 1.777069 3.843702 -1.528450 ESP Fit Center 2759 is at 0.104279 -2.243661 1.600745 ESP Fit Center 2760 is at 0.520807 -2.355270 1.600745 ESP Fit Center 2761 is at 0.312933 -2.701127 1.372001 ESP Fit Center 2762 is at 0.728682 -2.701127 1.372001 ESP Fit Center 2763 is at 0.307176 -3.008050 1.067985 ESP Fit Center 2764 is at 0.734439 -3.008050 1.067985 ESP Fit Center 2765 is at 0.312296 -3.239460 0.703942 ESP Fit Center 2766 is at 0.729319 -3.239460 0.703942 ESP Fit Center 2767 is at 0.104279 -3.347143 0.298125 ESP Fit Center 2768 is at 0.520807 -3.394074 0.298125 ESP Fit Center 2769 is at 0.937336 -3.347143 0.298125 ESP Fit Center 2770 is at 0.210186 -3.416920 -0.129115 ESP Fit Center 2771 is at 0.624754 -3.439397 -0.129115 ESP Fit Center 2772 is at 0.104279 -3.347143 -0.556355 ESP Fit Center 2773 is at 0.520807 -3.394074 -0.556355 ESP Fit Center 2774 is at -0.092609 -3.139660 -0.962172 ESP Fit Center 2775 is at 0.312296 -3.239460 -0.962172 ESP Fit Center 2776 is at -0.462215 -2.656681 -1.326216 ESP Fit Center 2777 is at -0.102779 -2.887676 -1.326216 ESP Fit Center 2778 is at 0.307176 -3.008050 -1.326216 ESP Fit Center 2779 is at -0.604099 -1.931645 -1.630232 ESP Fit Center 2780 is at -0.396225 -2.291694 -1.630232 ESP Fit Center 2781 is at -0.077743 -2.558932 -1.630232 ESP Fit Center 2782 is at 0.312933 -2.701127 -1.630232 ESP Fit Center 2783 is at -0.200641 -1.938741 -1.858975 ESP Fit Center 2784 is at 0.104279 -2.243661 -1.858975 ESP Fit Center 2785 is at 0.307187 -1.892214 -2.000977 ESP Fit Center 2786 is at 2.603672 -2.258576 3.424923 ESP Fit Center 2787 is at 3.030913 -2.258576 3.376785 ESP Fit Center 2788 is at 2.817293 -1.888575 3.376785 ESP Fit Center 2789 is at 2.390052 -1.888575 3.376785 ESP Fit Center 2790 is at 2.176432 -2.258576 3.376785 ESP Fit Center 2791 is at 2.390052 -2.628577 3.376785 ESP Fit Center 2792 is at 2.817293 -2.628577 3.376785 ESP Fit Center 2793 is at 2.603672 -1.425519 3.234784 ESP Fit Center 2794 is at 2.187144 -1.537128 3.234784 ESP Fit Center 2795 is at 1.882224 -1.842048 3.234784 ESP Fit Center 2796 is at 1.770616 -2.258576 3.234784 ESP Fit Center 2797 is at 1.882224 -2.675104 3.234784 ESP Fit Center 2798 is at 2.187144 -2.980024 3.234784 ESP Fit Center 2799 is at 2.603672 -3.091633 3.234784 ESP Fit Center 2800 is at 3.020201 -2.980024 3.234784 ESP Fit Center 2801 is at 2.005122 -1.221857 3.006040 ESP Fit Center 2802 is at 1.686640 -1.489095 3.006040 ESP Fit Center 2803 is at 1.478766 -1.849144 3.006040 ESP Fit Center 2804 is at 1.406572 -2.258576 3.006040 ESP Fit Center 2805 is at 1.478766 -2.668008 3.006040 ESP Fit Center 2806 is at 1.686640 -3.028057 3.006040 ESP Fit Center 2807 is at 2.005122 -3.295295 3.006040 ESP Fit Center 2808 is at 2.395798 -3.437490 3.006040 ESP Fit Center 2809 is at 2.811547 -3.437490 3.006040 ESP Fit Center 2810 is at 3.202223 -3.295295 3.006040 ESP Fit Center 2811 is at 1.980086 -0.893112 2.702024 ESP Fit Center 2812 is at 1.620650 -1.124108 2.702024 ESP Fit Center 2813 is at 1.340853 -1.447011 2.702024 ESP Fit Center 2814 is at 1.163362 -1.835663 2.702024 ESP Fit Center 2815 is at 1.102556 -2.258576 2.702024 ESP Fit Center 2816 is at 1.163362 -2.681489 2.702024 ESP Fit Center 2817 is at 1.340853 -3.070141 2.702024 ESP Fit Center 2818 is at 1.620650 -3.393044 2.702024 ESP Fit Center 2819 is at 1.980086 -3.624040 2.702024 ESP Fit Center 2820 is at 2.390041 -3.744413 2.702024 ESP Fit Center 2821 is at 2.817304 -3.744413 2.702024 ESP Fit Center 2822 is at 3.227259 -3.624040 2.702024 ESP Fit Center 2823 is at 1.621000 -0.834929 2.337980 ESP Fit Center 2824 is at 1.308853 -1.111466 2.337980 ESP Fit Center 2825 is at 1.071957 -1.454670 2.337980 ESP Fit Center 2826 is at 0.924079 -1.844593 2.337980 ESP Fit Center 2827 is at 0.873812 -2.258576 2.337980 ESP Fit Center 2828 is at 0.924079 -2.672559 2.337980 ESP Fit Center 2829 is at 1.071957 -3.062482 2.337980 ESP Fit Center 2830 is at 1.308853 -3.405685 2.337980 ESP Fit Center 2831 is at 1.621000 -3.682223 2.337980 ESP Fit Center 2832 is at 1.990256 -3.876023 2.337980 ESP Fit Center 2833 is at 2.395161 -3.975824 2.337980 ESP Fit Center 2834 is at 2.812184 -3.975824 2.337980 ESP Fit Center 2835 is at 3.217089 -3.876023 2.337980 ESP Fit Center 2836 is at 0.731811 -2.258576 1.932163 ESP Fit Center 2837 is at 0.778742 -2.675104 1.932163 ESP Fit Center 2838 is at 0.917183 -3.070746 1.932163 ESP Fit Center 2839 is at 1.140192 -3.425663 1.932163 ESP Fit Center 2840 is at 1.436586 -3.722056 1.932163 ESP Fit Center 2841 is at 1.791502 -3.945065 1.932163 ESP Fit Center 2842 is at 2.187144 -4.083506 1.932163 ESP Fit Center 2843 is at 2.603672 -4.130438 1.932163 ESP Fit Center 2844 is at 3.020201 -4.083506 1.932163 ESP Fit Center 2845 is at 0.784178 -2.871635 1.504923 ESP Fit Center 2846 is at 0.958507 -3.248439 1.504923 ESP Fit Center 2847 is at 1.209761 -3.578959 1.504923 ESP Fit Center 2848 is at 1.526193 -3.847739 1.504923 ESP Fit Center 2849 is at 1.893007 -4.042211 1.504923 ESP Fit Center 2850 is at 2.293051 -4.153283 1.504923 ESP Fit Center 2851 is at 2.707619 -4.175760 1.504923 ESP Fit Center 2852 is at 0.917183 -3.070746 1.077683 ESP Fit Center 2853 is at 1.140192 -3.425663 1.077683 ESP Fit Center 2854 is at 1.436586 -3.722056 1.077683 ESP Fit Center 2855 is at 1.791502 -3.945065 1.077683 ESP Fit Center 2856 is at 2.187144 -4.083506 1.077683 ESP Fit Center 2857 is at 2.603672 -4.130438 1.077683 ESP Fit Center 2858 is at 1.308853 -3.405685 0.671867 ESP Fit Center 2859 is at 1.621000 -3.682223 0.671867 ESP Fit Center 2860 is at 1.990256 -3.876023 0.671867 ESP Fit Center 2861 is at 2.395161 -3.975824 0.671867 ESP Fit Center 2862 is at 2.911650 -4.004927 0.147359 ESP Fit Center 2863 is at 2.495938 -4.191477 -0.156657 ESP Fit Center 2864 is at 2.905893 -4.311850 -0.156657 ESP Fit Center 2865 is at 3.333155 -4.311850 -0.156657 ESP Fit Center 2866 is at 3.743110 -4.191477 -0.156657 ESP Fit Center 2867 is at 2.506107 -4.443460 -0.520701 ESP Fit Center 2868 is at 2.911013 -4.543261 -0.520701 ESP Fit Center 2869 is at 3.328036 -4.543261 -0.520701 ESP Fit Center 2870 is at 3.732941 -4.443460 -0.520701 ESP Fit Center 2871 is at 4.102197 -4.249660 -0.520701 ESP Fit Center 2872 is at 4.414343 -3.973123 -0.520701 ESP Fit Center 2873 is at 4.991386 -2.826013 -0.926517 ESP Fit Center 2874 is at 2.307354 -4.512502 -0.926517 ESP Fit Center 2875 is at 2.702996 -4.650943 -0.926517 ESP Fit Center 2876 is at 3.119524 -4.697875 -0.926517 ESP Fit Center 2877 is at 3.536053 -4.650943 -0.926517 ESP Fit Center 2878 is at 3.931694 -4.512502 -0.926517 ESP Fit Center 2879 is at 4.286611 -4.289493 -0.926517 ESP Fit Center 2880 is at 4.583004 -3.993100 -0.926517 ESP Fit Center 2881 is at 4.806013 -3.638183 -0.926517 ESP Fit Center 2882 is at 4.944454 -3.242541 -0.926517 ESP Fit Center 2883 is at 5.039524 -2.826013 -1.353757 ESP Fit Center 2884 is at 4.994636 -2.413270 -1.353757 ESP Fit Center 2885 is at 2.042045 -4.415176 -1.353757 ESP Fit Center 2886 is at 2.408859 -4.609648 -1.353757 ESP Fit Center 2887 is at 2.808903 -4.720720 -1.353757 ESP Fit Center 2888 is at 3.223471 -4.743197 -1.353757 ESP Fit Center 2889 is at 3.633179 -4.676029 -1.353757 ESP Fit Center 2890 is at 4.018868 -4.522356 -1.353757 ESP Fit Center 2891 is at 4.362506 -4.289364 -1.353757 ESP Fit Center 2892 is at 4.648023 -3.987948 -1.353757 ESP Fit Center 2893 is at 4.862069 -3.632200 -1.353757 ESP Fit Center 2894 is at 4.994636 -3.238756 -1.353757 ESP Fit Center 2895 is at 4.991386 -2.826013 -1.780998 ESP Fit Center 2896 is at 4.944454 -2.409485 -1.780998 ESP Fit Center 2897 is at 1.952438 -4.289493 -1.780998 ESP Fit Center 2898 is at 2.307354 -4.512502 -1.780998 ESP Fit Center 2899 is at 2.702996 -4.650943 -1.780998 ESP Fit Center 2900 is at 3.119524 -4.697875 -1.780998 ESP Fit Center 2901 is at 3.536053 -4.650943 -1.780998 ESP Fit Center 2902 is at 3.931694 -4.512502 -1.780998 ESP Fit Center 2903 is at 4.286611 -4.289493 -1.780998 ESP Fit Center 2904 is at 4.583004 -3.993100 -1.780998 ESP Fit Center 2905 is at 4.806013 -3.638183 -1.780998 ESP Fit Center 2906 is at 4.944454 -3.242541 -1.780998 ESP Fit Center 2907 is at 4.849384 -2.826013 -2.186814 ESP Fit Center 2908 is at 4.799118 -2.412030 -2.186814 ESP Fit Center 2909 is at 4.651239 -2.022107 -2.186814 ESP Fit Center 2910 is at 2.136852 -4.249660 -2.186814 ESP Fit Center 2911 is at 2.506107 -4.443460 -2.186814 ESP Fit Center 2912 is at 2.911013 -4.543261 -2.186814 ESP Fit Center 2913 is at 3.328036 -4.543261 -2.186814 ESP Fit Center 2914 is at 3.732941 -4.443460 -2.186814 ESP Fit Center 2915 is at 4.102197 -4.249660 -2.186814 ESP Fit Center 2916 is at 4.414343 -3.973123 -2.186814 ESP Fit Center 2917 is at 4.651239 -3.629919 -2.186814 ESP Fit Center 2918 is at 4.799118 -3.239996 -2.186814 ESP Fit Center 2919 is at 4.620641 -2.826013 -2.550858 ESP Fit Center 2920 is at 4.559835 -2.403100 -2.550858 ESP Fit Center 2921 is at 4.382344 -2.014448 -2.550858 ESP Fit Center 2922 is at 2.136502 -3.960481 -2.550858 ESP Fit Center 2923 is at 2.495938 -4.191477 -2.550858 ESP Fit Center 2924 is at 2.905893 -4.311850 -2.550858 ESP Fit Center 2925 is at 3.333155 -4.311850 -2.550858 ESP Fit Center 2926 is at 3.743110 -4.191477 -2.550858 ESP Fit Center 2927 is at 4.102546 -3.960481 -2.550858 ESP Fit Center 2928 is at 4.382344 -3.637578 -2.550858 ESP Fit Center 2929 is at 4.559835 -3.248926 -2.550858 ESP Fit Center 2930 is at 4.316625 -2.826013 -2.854874 ESP Fit Center 2931 is at 4.244431 -2.416581 -2.854874 ESP Fit Center 2932 is at 4.036556 -2.056532 -2.854874 ESP Fit Center 2933 is at 2.520974 -3.862732 -2.854874 ESP Fit Center 2934 is at 2.911650 -4.004927 -2.854874 ESP Fit Center 2935 is at 3.327398 -4.004927 -2.854874 ESP Fit Center 2936 is at 3.718074 -3.862732 -2.854874 ESP Fit Center 2937 is at 4.036556 -3.595494 -2.854874 ESP Fit Center 2938 is at 4.244431 -3.235446 -2.854874 ESP Fit Center 2939 is at 3.952581 -2.826013 -3.083618 ESP Fit Center 2940 is at 3.840972 -2.409485 -3.083618 ESP Fit Center 2941 is at 2.702996 -3.547461 -3.083618 ESP Fit Center 2942 is at 3.119524 -3.659070 -3.083618 ESP Fit Center 2943 is at 3.536053 -3.547461 -3.083618 ESP Fit Center 2944 is at 3.840972 -3.242541 -3.083618 ESP Fit Center 2945 is at 3.546764 -2.826013 -3.225619 ESP Fit Center 2946 is at 3.333144 -2.456012 -3.225619 ESP Fit Center 2947 is at 2.905904 -3.196014 -3.225619 ESP Fit Center 2948 is at 3.333144 -3.196014 -3.225619 ESP Fit Center 2949 is at 3.119524 -2.826013 -3.273757 ESP Fit Center 2950 is at -2.182399 -3.400722 1.940048 ESP Fit Center 2951 is at -1.762390 -3.379421 1.940048 ESP Fit Center 2952 is at -1.355266 -3.274010 1.940048 ESP Fit Center 2953 is at -0.977695 -3.088803 1.940048 ESP Fit Center 2954 is at -2.398084 -3.557236 1.560896 ESP Fit Center 2955 is at -1.969817 -3.577636 1.560896 ESP Fit Center 2956 is at -1.545428 -3.516619 1.560896 ESP Fit Center 2957 is at -2.183166 -3.686087 1.156803 ESP Fit Center 2958 is at -3.744037 -1.363757 2.787697 ESP Fit Center 2959 is at -2.805286 -3.972537 0.840914 ESP Fit Center 2960 is at -2.415653 -3.806000 0.840914 ESP Fit Center 2961 is at -5.614121 -2.924678 0.424158 ESP Fit Center 2962 is at -3.118904 -4.088217 0.424158 ESP Fit Center 2963 is at -2.714811 -3.979940 0.424158 ESP Fit Center 2964 is at -2.335660 -3.803139 0.424158 ESP Fit Center 2965 is at -5.665134 -2.750179 0.007403 ESP Fit Center 2966 is at -5.447803 -3.113931 0.007403 ESP Fit Center 2967 is at 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Center 3022 is at -1.299745 0.797113 2.732358 ESP Fit Center 3023 is at -1.411353 1.213641 2.732358 ESP Fit Center 3024 is at -1.716273 1.518561 2.732358 ESP Fit Center 3025 is at -2.132801 1.630170 2.732358 ESP Fit Center 3026 is at -2.549330 1.518561 2.732358 ESP Fit Center 3027 is at -2.854250 1.213641 2.732358 ESP Fit Center 3028 is at -2.965858 0.797113 2.732358 ESP Fit Center 3029 is at -2.854250 0.380584 2.732358 ESP Fit Center 3030 is at -1.411353 0.380584 2.732358 ESP Fit Center 3031 is at -0.935701 0.797113 2.503614 ESP Fit Center 3032 is at -1.007895 1.206545 2.503614 ESP Fit Center 3033 is at -1.215769 1.566594 2.503614 ESP Fit Center 3034 is at -1.534251 1.833832 2.503614 ESP Fit Center 3035 is at -1.924927 1.976027 2.503614 ESP Fit Center 3036 is at -2.340676 1.976027 2.503614 ESP Fit Center 3037 is at -2.731352 1.833832 2.503614 ESP Fit Center 3038 is at -3.049834 1.566594 2.503614 ESP Fit Center 3039 is at -3.257708 1.206545 2.503614 ESP Fit Center 3040 is at -1.919170 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Fit Center 3059 is at -0.160226 -2.864275 1.468613 ESP Fit Center 3060 is at 0.017265 -2.475624 1.468613 ESP Fit Center 3061 is at -1.631557 -3.769958 1.104569 ESP Fit Center 3062 is at -1.214534 -3.769958 1.104569 ESP Fit Center 3063 is at -0.809629 -3.670158 1.104569 ESP Fit Center 3064 is at -0.440373 -3.476357 1.104569 ESP Fit Center 3065 is at -0.128227 -3.199820 1.104569 ESP Fit Center 3066 is at -2.235216 -3.739199 0.698753 ESP Fit Center 3067 is at -1.839574 -3.877640 0.698753 ESP Fit Center 3068 is at -1.423046 -3.924572 0.698753 ESP Fit Center 3069 is at -1.006517 -3.877640 0.698753 ESP Fit Center 3070 is at -0.610875 -3.739199 0.698753 ESP Fit Center 3071 is at -0.255959 -3.516191 0.698753 ESP Fit Center 3072 is at 0.040435 -3.219797 0.698753 ESP Fit Center 3073 is at -2.133711 -3.836346 0.271513 ESP Fit Center 3074 is at -1.733667 -3.947417 0.271513 ESP Fit Center 3075 is at -1.319099 -3.969894 0.271513 ESP Fit Center 3076 is at -0.909391 -3.902726 0.271513 ESP Fit Center 3077 is at -0.523701 -3.749053 0.271513 ESP Fit Center 3078 is at -0.180064 -3.516061 0.271513 ESP Fit Center 3079 is at -2.235216 -3.739199 -0.155727 ESP Fit Center 3080 is at -1.839574 -3.877640 -0.155727 ESP Fit Center 3081 is at -1.423046 -3.924572 -0.155727 ESP Fit Center 3082 is at -1.006517 -3.877640 -0.155727 ESP Fit Center 3083 is at -0.610875 -3.739199 -0.155727 ESP Fit Center 3084 is at -0.255959 -3.516191 -0.155727 ESP Fit Center 3085 is at -2.036463 -3.670158 -0.561544 ESP Fit Center 3086 is at -1.631557 -3.769958 -0.561544 ESP Fit Center 3087 is at -1.214534 -3.769958 -0.561544 ESP Fit Center 3088 is at -0.809629 -3.670158 -0.561544 ESP Fit Center 3089 is at -0.440373 -3.476357 -0.561544 ESP Fit Center 3090 is at -2.046632 -3.418174 -0.925588 ESP Fit Center 3091 is at -1.636677 -3.538547 -0.925588 ESP Fit Center 3092 is at -1.209415 -3.538547 -0.925588 ESP Fit Center 3093 is at -0.799459 -3.418174 -0.925588 ESP Fit Center 3094 is at -0.440023 -3.187178 -0.925588 ESP Fit Center 3095 is at -1.630920 -3.231624 -1.229604 ESP Fit Center 3096 is at -1.215171 -3.231624 -1.229604 ESP Fit Center 3097 is at -0.824495 -3.089430 -1.229604 ESP Fit Center 3098 is at -0.506014 -2.822192 -1.229604 ESP Fit Center 3099 is at -1.839574 -2.774159 -1.458348 ESP Fit Center 3100 is at -1.423046 -2.885767 -1.458348 ESP Fit Center 3101 is at -1.006517 -2.774159 -1.458348 ESP Fit Center 3102 is at -0.701597 -2.469239 -1.458348 ESP Fit Center 3103 is at -0.995806 -2.052710 -1.600349 ESP Fit Center 3104 is at -1.636666 -2.422711 -1.600349 ESP Fit Center 3105 is at -1.209426 -2.422711 -1.600349 ESP Fit Center 3106 is at -1.892144 -1.388619 3.728735 ESP Fit Center 3107 is at -1.464903 -1.388619 3.680597 ESP Fit Center 3108 is at -1.678523 -1.018618 3.680597 ESP Fit Center 3109 is at -2.105764 -1.018618 3.680597 ESP Fit Center 3110 is at -2.319384 -1.388619 3.680597 ESP Fit Center 3111 is at -2.105764 -1.758620 3.680597 ESP Fit Center 3112 is at -1.678523 -1.758620 3.680597 ESP Fit Center 3113 is at -1.059087 -1.388619 3.538595 ESP Fit Center 3114 is at -1.170695 -0.972091 3.538595 ESP Fit Center 3115 is at -1.475615 -0.667171 3.538595 ESP Fit Center 3116 is at -1.892144 -0.555562 3.538595 ESP Fit Center 3117 is at -2.308672 -0.667171 3.538595 ESP Fit Center 3118 is at -2.613592 -0.972091 3.538595 ESP Fit Center 3119 is at -2.725200 -1.388619 3.538595 ESP Fit Center 3120 is at -2.613592 -1.805147 3.538595 ESP Fit Center 3121 is at -2.308672 -2.110067 3.538595 ESP Fit Center 3122 is at -1.892144 -2.221676 3.538595 ESP Fit Center 3123 is at -1.475615 -2.110067 3.538595 ESP Fit Center 3124 is at -1.170695 -1.805147 3.538595 ESP Fit Center 3125 is at -0.695043 -1.388619 3.309852 ESP Fit Center 3126 is at -0.767237 -0.979186 3.309852 ESP Fit Center 3127 is at -0.975111 -0.619138 3.309852 ESP Fit Center 3128 is at -1.293593 -0.351900 3.309852 ESP Fit Center 3129 is at -1.684269 -0.209705 3.309852 ESP Fit Center 3130 is at -2.100018 -0.209705 3.309852 ESP Fit Center 3131 is at -2.490694 -0.351900 3.309852 ESP Fit Center 3132 is at -2.809176 -0.619138 3.309852 ESP Fit Center 3133 is at -3.017050 -0.979186 3.309852 ESP Fit Center 3134 is at -3.089244 -1.388619 3.309852 ESP Fit Center 3135 is at -3.017050 -1.798051 3.309852 ESP Fit Center 3136 is at -2.809176 -2.158100 3.309852 ESP Fit Center 3137 is at -2.490694 -2.425338 3.309852 ESP Fit Center 3138 is at -2.100018 -2.567533 3.309852 ESP Fit Center 3139 is at -1.684269 -2.567533 3.309852 ESP Fit Center 3140 is at -1.293593 -2.425338 3.309852 ESP Fit Center 3141 is at -0.975111 -2.158100 3.309852 ESP Fit Center 3142 is at -0.767237 -1.798051 3.309852 ESP Fit Center 3143 is at -0.391027 -1.388619 3.005835 ESP Fit Center 3144 is at -0.451833 -0.965706 3.005835 ESP Fit Center 3145 is at -0.629324 -0.577054 3.005835 ESP Fit Center 3146 is at -0.909121 -0.254151 3.005835 ESP Fit Center 3147 is at -1.268557 -0.023155 3.005835 ESP Fit Center 3148 is at -1.678512 0.097218 3.005835 ESP Fit Center 3149 is at 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2.235975 ESP Fit Center 3186 is at -0.725057 -2.852099 2.235975 ESP Fit Center 3187 is at -0.428663 -2.555706 2.235975 ESP Fit Center 3188 is at -0.205655 -2.200789 2.235975 ESP Fit Center 3189 is at -0.067213 -1.805147 2.235975 ESP Fit Center 3190 is at -4.381704 -3.944552 -0.095545 ESP Fit Center 3191 is at -3.986062 -4.082993 -0.095545 ESP Fit Center 3192 is at -3.569534 -4.129924 -0.095545 ESP Fit Center 3193 is at -3.153005 -4.082993 -0.095545 ESP Fit Center 3194 is at -2.757363 -3.944552 -0.095545 ESP Fit Center 3195 is at -5.214700 -3.247926 -0.522785 ESP Fit Center 3196 is at -4.963445 -3.578446 -0.522785 ESP Fit Center 3197 is at -4.647013 -3.847226 -0.522785 ESP Fit Center 3198 is at -4.280199 -4.041698 -0.522785 ESP Fit Center 3199 is at -3.880155 -4.152770 -0.522785 ESP Fit Center 3200 is at -3.465587 -4.175247 -0.522785 ESP Fit Center 3201 is at -3.055879 -4.108079 -0.522785 ESP Fit Center 3202 is at -2.670190 -3.954406 -0.522785 ESP Fit Center 3203 is at -2.326552 -3.721414 -0.522785 ESP Fit Center 3204 is at -5.394464 -2.674591 -0.950026 ESP Fit Center 3205 is at -5.256023 -3.070233 -0.950026 ESP Fit Center 3206 is at -5.033014 -3.425149 -0.950026 ESP Fit Center 3207 is at -4.736620 -3.721543 -0.950026 ESP Fit Center 3208 is at -4.381704 -3.944552 -0.950026 ESP Fit Center 3209 is at -3.986062 -4.082993 -0.950026 ESP Fit Center 3210 is at -3.569534 -4.129924 -0.950026 ESP Fit Center 3211 is at -3.153005 -4.082993 -0.950026 ESP Fit Center 3212 is at -2.757363 -3.944552 -0.950026 ESP Fit Center 3213 is at -2.402447 -3.721543 -0.950026 ESP Fit Center 3214 is at -2.106053 -3.425149 -0.950026 ESP Fit Center 3215 is at -5.299394 -2.258063 -1.355842 ESP Fit Center 3216 is at -5.249127 -2.672045 -1.355842 ESP Fit Center 3217 is at -5.101249 -3.061969 -1.355842 ESP Fit Center 3218 is at -4.864353 -3.405172 -1.355842 ESP Fit Center 3219 is at -4.552206 -3.681710 -1.355842 ESP Fit Center 3220 is at -4.182951 -3.875510 -1.355842 ESP Fit Center 3221 is at 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3239 is at -4.694440 -1.848630 -2.023902 ESP Fit Center 3240 is at -4.766634 -2.258063 -2.023902 ESP Fit Center 3241 is at -4.694440 -2.667495 -2.023902 ESP Fit Center 3242 is at -4.486566 -3.027544 -2.023902 ESP Fit Center 3243 is at -4.168084 -3.294782 -2.023902 ESP Fit Center 3244 is at -3.777408 -3.436977 -2.023902 ESP Fit Center 3245 is at -3.361659 -3.436977 -2.023902 ESP Fit Center 3246 is at -2.970984 -3.294782 -2.023902 ESP Fit Center 3247 is at -2.652502 -3.027544 -2.023902 ESP Fit Center 3248 is at -2.444627 -2.667495 -2.023902 ESP Fit Center 3249 is at -2.736477 -2.258063 -2.252646 ESP Fit Center 3250 is at -4.290982 -1.841534 -2.252646 ESP Fit Center 3251 is at -4.402591 -2.258063 -2.252646 ESP Fit Center 3252 is at -4.290982 -2.674591 -2.252646 ESP Fit Center 3253 is at -3.986062 -2.979511 -2.252646 ESP Fit Center 3254 is at -3.569534 -3.091120 -2.252646 ESP Fit Center 3255 is at -3.153005 -2.979511 -2.252646 ESP Fit Center 3256 is at -2.848085 -2.674591 -2.252646 ESP Fit Center 3257 is at -3.142294 -2.258063 -2.394647 ESP Fit Center 3258 is at -3.355914 -1.888062 -2.394647 ESP Fit Center 3259 is at -3.783154 -1.888062 -2.394647 ESP Fit Center 3260 is at -3.996774 -2.258063 -2.394647 ESP Fit Center 3261 is at -3.783154 -2.628064 -2.394647 ESP Fit Center 3262 is at -3.355914 -2.628064 -2.394647 ESP Fit Center 3263 is at -3.569534 -2.258063 -2.442785 ESP Fit Center 3264 is at -3.896268 -2.419466 3.096466 ESP Fit Center 3265 is at -3.469028 -2.419466 3.048327 ESP Fit Center 3266 is at -3.682648 -2.049465 3.048327 ESP Fit Center 3267 is at -4.109888 -2.049465 3.048327 ESP Fit Center 3268 is at -4.323508 -2.419466 3.048327 ESP Fit Center 3269 is at -4.109888 -2.789466 3.048327 ESP Fit Center 3270 is at -3.682648 -2.789466 3.048327 ESP Fit Center 3271 is at -3.479740 -1.698017 2.906326 ESP Fit Center 3272 is at -3.896268 -1.586409 2.906326 ESP Fit Center 3273 is at -4.312797 -1.698017 2.906326 ESP Fit Center 3274 is at -4.617717 -2.002937 2.906326 ESP Fit 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ESP Fit Center 3366 is at -6.924003 -1.242991 1.386066 ESP Fit Center 3367 is at -6.746512 -1.631642 1.386066 ESP Fit Center 3368 is at -6.466715 -1.954545 1.386066 ESP Fit Center 3369 is at -6.107279 -2.185541 1.386066 ESP Fit Center 3370 is at -6.466365 0.603570 1.022022 ESP Fit Center 3371 is at -6.778512 0.327032 1.022022 ESP Fit Center 3372 is at -7.015408 -0.016171 1.022022 ESP Fit Center 3373 is at -7.163286 -0.406094 1.022022 ESP Fit Center 3374 is at -7.213553 -0.820077 1.022022 ESP Fit Center 3375 is at -7.163286 -1.234060 1.022022 ESP Fit Center 3376 is at -7.015408 -1.623983 1.022022 ESP Fit Center 3377 is at -6.778512 -1.967187 1.022022 ESP Fit Center 3378 is at -6.466365 -2.243724 1.022022 ESP Fit Center 3379 is at -6.097110 -2.437525 1.022022 ESP Fit Center 3380 is at -6.650779 0.643403 0.616205 ESP Fit Center 3381 is at -6.947173 0.347009 0.616205 ESP Fit Center 3382 is at -7.170182 -0.007907 0.616205 ESP Fit Center 3383 is at -7.308623 -0.403549 0.616205 ESP Fit Center 3384 is at -7.355554 -0.820077 0.616205 ESP Fit Center 3385 is at -7.308623 -1.236606 0.616205 ESP Fit Center 3386 is at -7.170182 -1.632247 0.616205 ESP Fit Center 3387 is at -6.947173 -1.987164 0.616205 ESP Fit Center 3388 is at -6.650779 -2.283557 0.616205 ESP Fit Center 3389 is at -6.295863 -2.506566 0.616205 ESP Fit Center 3390 is at -5.900221 -2.645007 0.616205 ESP Fit Center 3391 is at -6.561172 0.769086 0.188965 ESP Fit Center 3392 is at -6.877604 0.500306 0.188965 ESP Fit Center 3393 is at -7.128858 0.169786 0.188965 ESP Fit Center 3394 is at -7.303187 -0.207018 0.188965 ESP Fit Center 3395 is at -7.392438 -0.612489 0.188965 ESP Fit Center 3396 is at -7.392438 -1.027666 0.188965 ESP Fit Center 3397 is at -7.303187 -1.433136 0.188965 ESP Fit Center 3398 is at -7.128858 -1.809941 0.188965 ESP Fit Center 3399 is at -6.877604 -2.140460 0.188965 ESP Fit Center 3400 is at -6.561172 -2.409240 0.188965 ESP Fit Center 3401 is at -6.194358 -2.603712 0.188965 ESP Fit Center 3402 is at 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3438 is at -6.400725 -1.589558 -1.312151 ESP Fit Center 3439 is at -6.082243 -1.856797 -1.312151 ESP Fit Center 3440 is at -5.691567 -1.998991 -1.312151 ESP Fit Center 3441 is at -6.316749 -0.820077 -1.540895 ESP Fit Center 3442 is at -6.205141 -1.236606 -1.540895 ESP Fit Center 3443 is at -5.900221 -1.541525 -1.540895 ESP Fit Center 3444 is at -5.483693 -1.653134 -1.540895 ESP Fit Center 3445 is at -4.428208 0.034572 3.192886 ESP Fit Center 3446 is at -4.000968 0.034572 3.144747 ESP Fit Center 3447 is at -4.214588 0.404573 3.144747 ESP Fit Center 3448 is at -4.641828 0.404573 3.144747 ESP Fit Center 3449 is at -4.855448 0.034572 3.144747 ESP Fit Center 3450 is at -4.641828 -0.335429 3.144747 ESP Fit Center 3451 is at -4.214588 -0.335429 3.144747 ESP Fit Center 3452 is at -3.595151 0.034572 3.002746 ESP Fit Center 3453 is at -3.706760 0.451100 3.002746 ESP Fit Center 3454 is at -4.011679 0.756020 3.002746 ESP Fit Center 3455 is at -4.428208 0.867629 3.002746 ESP Fit Center 3456 is at 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2.774002 ESP Fit Center 3475 is at -5.345240 -0.734910 2.774002 ESP Fit Center 3476 is at -5.026758 -1.002148 2.774002 ESP Fit Center 3477 is at -4.636082 -1.144342 2.774002 ESP Fit Center 3478 is at -4.220334 -1.144342 2.774002 ESP Fit Center 3479 is at -3.829658 -1.002148 2.774002 ESP Fit Center 3480 is at -3.511176 -0.734910 2.774002 ESP Fit Center 3481 is at -3.303301 -0.374861 2.774002 ESP Fit Center 3482 is at -3.445186 1.169040 2.469986 ESP Fit Center 3483 is at -3.804622 1.400035 2.469986 ESP Fit Center 3484 is at -4.214577 1.520409 2.469986 ESP Fit Center 3485 is at -4.641839 1.520409 2.469986 ESP Fit Center 3486 is at -5.051794 1.400035 2.469986 ESP Fit Center 3487 is at -5.411230 1.169040 2.469986 ESP Fit Center 3488 is at -5.691027 0.846137 2.469986 ESP Fit Center 3489 is at -5.868519 0.457485 2.469986 ESP Fit Center 3490 is at -5.929324 0.034572 2.469986 ESP Fit Center 3491 is at -5.868519 -0.388342 2.469986 ESP Fit Center 3492 is at -5.691027 -0.776993 2.469986 ESP Fit Center 3493 is at -5.411230 -1.099896 2.469986 ESP Fit Center 3494 is at -3.814791 1.652019 2.105942 ESP Fit Center 3495 is at -4.219696 1.751819 2.105942 ESP Fit Center 3496 is at -4.636719 1.751819 2.105942 ESP Fit Center 3497 is at -5.041625 1.652019 2.105942 ESP Fit Center 3498 is at -5.410880 1.458219 2.105942 ESP Fit Center 3499 is at -5.723027 1.181681 2.105942 ESP Fit Center 3500 is at -5.959923 0.838478 2.105942 ESP Fit Center 3501 is at -6.107802 0.448554 2.105942 ESP Fit Center 3502 is at -6.158068 0.034572 2.105942 ESP Fit Center 3503 is at -6.107802 -0.379411 2.105942 ESP Fit Center 3504 is at -4.011679 1.859502 1.700126 ESP Fit Center 3505 is at -4.428208 1.906433 1.700126 ESP Fit Center 3506 is at -4.844736 1.859502 1.700126 ESP Fit Center 3507 is at -5.240378 1.721061 1.700126 ESP Fit Center 3508 is at -5.595294 1.498052 1.700126 ESP Fit Center 3509 is at -5.891688 1.201658 1.700126 ESP Fit Center 3510 is at -6.114697 0.846742 1.700126 ESP Fit Center 3511 is at 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1.586763 -2.166437 ESP Fit Center 3530 is at -5.984672 1.290369 -2.166437 ESP Fit Center 3531 is at -6.207680 0.935453 -2.166437 ESP Fit Center 3532 is at -6.346121 0.539811 -2.166437 ESP Fit Center 3533 is at -6.393053 0.123282 -2.166437 ESP Fit Center 3534 is at -6.346121 -0.293246 -2.166437 ESP Fit Center 3535 is at -6.207680 -0.688888 -2.166437 ESP Fit Center 3536 is at -5.984672 -1.043804 -2.166437 ESP Fit Center 3537 is at -5.688278 -1.340198 -2.166437 ESP Fit Center 3538 is at -5.333362 -1.563207 -2.166437 ESP Fit Center 3539 is at -4.937720 -1.701648 -2.166437 ESP Fit Center 3540 is at -4.521191 -1.748579 -2.166437 ESP Fit Center 3541 is at -5.134608 1.740730 -2.572254 ESP Fit Center 3542 is at -5.503864 1.546929 -2.572254 ESP Fit Center 3543 is at -5.816010 1.270392 -2.572254 ESP Fit Center 3544 is at -6.052906 0.927189 -2.572254 ESP Fit Center 3545 is at -6.200785 0.537265 -2.572254 ESP Fit Center 3546 is at -6.251052 0.123282 -2.572254 ESP Fit Center 3547 is at -6.200785 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Center 3620 is at -5.782310 1.857258 0.587707 ESP Fit Center 3621 is at -5.843115 1.434344 0.587707 ESP Fit Center 3622 is at -3.047180 2.581454 0.223663 ESP Fit Center 3623 is at -3.359326 2.857991 0.223663 ESP Fit Center 3624 is at -3.728582 3.051792 0.223663 ESP Fit Center 3625 is at -4.133487 3.151592 0.223663 ESP Fit Center 3626 is at -4.550510 3.151592 0.223663 ESP Fit Center 3627 is at -4.955416 3.051792 0.223663 ESP Fit Center 3628 is at -5.324672 2.857991 0.223663 ESP Fit Center 3629 is at -5.636818 2.581454 0.223663 ESP Fit Center 3630 is at -5.873714 2.238250 0.223663 ESP Fit Center 3631 is at -6.021593 1.848327 0.223663 ESP Fit Center 3632 is at -6.071859 1.434344 0.223663 ESP Fit Center 3633 is at -3.174912 2.897825 -0.182154 ESP Fit Center 3634 is at -3.529829 3.120833 -0.182154 ESP Fit Center 3635 is at -3.925471 3.259274 -0.182154 ESP Fit Center 3636 is at -4.341999 3.306206 -0.182154 ESP Fit Center 3637 is at -4.758527 3.259274 -0.182154 ESP Fit Center 3638 is at 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3.259274 -1.036634 ESP Fit Center 3657 is at -4.341999 3.306206 -1.036634 ESP Fit Center 3658 is at -4.758527 3.259274 -1.036634 ESP Fit Center 3659 is at -5.154169 3.120833 -1.036634 ESP Fit Center 3660 is at -5.509086 2.897825 -1.036634 ESP Fit Center 3661 is at -5.805479 2.601431 -1.036634 ESP Fit Center 3662 is at -6.028488 2.246515 -1.036634 ESP Fit Center 3663 is at -6.166929 1.850873 -1.036634 ESP Fit Center 3664 is at -6.213860 1.434344 -1.036634 ESP Fit Center 3665 is at -3.359326 2.857991 -1.442451 ESP Fit Center 3666 is at -3.728582 3.051792 -1.442451 ESP Fit Center 3667 is at -4.133487 3.151592 -1.442451 ESP Fit Center 3668 is at -4.550510 3.151592 -1.442451 ESP Fit Center 3669 is at -4.955416 3.051792 -1.442451 ESP Fit Center 3670 is at -5.324672 2.857991 -1.442451 ESP Fit Center 3671 is at -5.636818 2.581454 -1.442451 ESP Fit Center 3672 is at -5.873714 2.238250 -1.442451 ESP Fit Center 3673 is at -6.021593 1.848327 -1.442451 ESP Fit Center 3674 is at -3.718413 2.799808 -1.806494 ESP Fit Center 3675 is at -4.128368 2.920182 -1.806494 ESP Fit Center 3676 is at -4.555630 2.920182 -1.806494 ESP Fit Center 3677 is at -4.965585 2.799808 -1.806494 ESP Fit Center 3678 is at -5.325021 2.568812 -1.806494 ESP Fit Center 3679 is at -5.604818 2.245909 -1.806494 ESP Fit Center 3680 is at -5.782310 1.857258 -1.806494 ESP Fit Center 3681 is at -3.743449 2.471064 -2.110510 ESP Fit Center 3682 is at -4.134125 2.613258 -2.110510 ESP Fit Center 3683 is at -4.549873 2.613258 -2.110510 ESP Fit Center 3684 is at -4.940549 2.471064 -2.110510 ESP Fit Center 3685 is at -5.259031 2.203826 -2.110510 ESP Fit Center 3686 is at -5.466905 1.843777 -2.110510 ESP Fit Center 3687 is at -4.341999 2.267401 -2.339254 ESP Fit Center 3688 is at -4.758527 2.155793 -2.339254 ESP Fit Center 3689 is at -1.714919 -2.213939 -1.778775 ESP Fit Center 3690 is at -1.329229 -2.060266 -1.778775 ESP Fit Center 3691 is at -0.985592 -1.827274 -1.778775 ESP Fit Center 3692 is at -0.700075 -1.525857 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2.965762 -2.293727 ESP Fit Center 3783 is at -3.154913 2.771962 -2.293727 ESP Fit Center 3784 is at -3.467059 2.495424 -2.293727 ESP Fit Center 3785 is at -0.492647 0.934332 -2.293727 ESP Fit Center 3786 is at -0.671124 1.348315 -2.657771 ESP Fit Center 3787 is at -0.731930 1.771228 -2.657771 ESP Fit Center 3788 is at -0.909421 2.159879 -2.657771 ESP Fit Center 3789 is at -1.189218 2.482783 -2.657771 ESP Fit Center 3790 is at -1.548654 2.713778 -2.657771 ESP Fit Center 3791 is at -1.958609 2.834152 -2.657771 ESP Fit Center 3792 is at -2.385872 2.834152 -2.657771 ESP Fit Center 3793 is at -2.795827 2.713778 -2.657771 ESP Fit Center 3794 is at -3.155263 2.482783 -2.657771 ESP Fit Center 3795 is at -3.435060 2.159879 -2.657771 ESP Fit Center 3796 is at -0.731930 0.925401 -2.657771 ESP Fit Center 3797 is at -0.975140 1.348315 -2.961787 ESP Fit Center 3798 is at -1.047334 1.757747 -2.961787 ESP Fit Center 3799 is at -1.255208 2.117796 -2.961787 ESP Fit Center 3800 is at -1.573690 2.385034 -2.961787 ESP Fit Center 3801 is at -1.964366 2.527228 -2.961787 ESP Fit Center 3802 is at -2.380115 2.527228 -2.961787 ESP Fit Center 3803 is at -2.770791 2.385034 -2.961787 ESP Fit Center 3804 is at -3.089273 2.117796 -2.961787 ESP Fit Center 3805 is at -3.297147 1.757747 -2.961787 ESP Fit Center 3806 is at -1.047334 0.938882 -2.961787 ESP Fit Center 3807 is at -1.339184 1.348315 -3.190531 ESP Fit Center 3808 is at -1.450792 1.764843 -3.190531 ESP Fit Center 3809 is at -1.755712 2.069763 -3.190531 ESP Fit Center 3810 is at -2.172240 2.181371 -3.190531 ESP Fit Center 3811 is at -2.588769 2.069763 -3.190531 ESP Fit Center 3812 is at -2.893689 1.764843 -3.190531 ESP Fit Center 3813 is at -1.450792 0.931786 -3.190531 ESP Fit Center 3814 is at -1.745000 1.348315 -3.332532 ESP Fit Center 3815 is at -1.958620 1.718315 -3.332532 ESP Fit Center 3816 is at -2.385860 1.718315 -3.332532 ESP Fit Center 3817 is at -2.599481 1.348315 -3.332532 ESP Fit Center 3818 is at -1.958620 0.978314 -3.332532 ESP Fit Center 3819 is at -2.172240 1.348315 -3.380670 ESP Fit Center 3820 is at 5.313245 -2.418112 -1.152696 ESP Fit Center 3821 is at 3.267739 0.011203 -2.724068 ESP Fit Center 3822 is at 3.472059 -0.473385 -2.886203 ESP Fit Center 3823 is at 3.054886 -0.361603 -2.886203 ESP Fit Center 3824 is at 3.459678 -1.808125 3.714161 ESP Fit Center 3825 is at 3.037305 -1.808125 3.680919 ESP Fit Center 3826 is at 3.248492 -2.173911 3.680919 ESP Fit Center 3827 is at 3.670865 -2.173911 3.680919 ESP Fit Center 3828 is at 2.737114 -1.390953 3.582013 ESP Fit Center 3829 is at 3.459678 -2.642471 3.582013 ESP Fit Center 3830 is at 3.876851 -2.530690 3.582013 ESP Fit Center 3831 is at 4.182243 -2.225298 3.582013 ESP Fit Center 3832 is at 2.520681 -1.020213 3.419878 ESP Fit Center 3833 is at 3.672532 -3.015278 3.419878 ESP Fit Center 3834 is at 4.072566 -2.869677 3.419878 ESP Fit Center 3835 is at 4.398676 -2.596038 3.419878 ESP Fit Center 3836 is at 4.611530 -2.227365 3.419878 ESP Fit Center 3837 is at 2.337486 -0.685933 3.198507 ESP Fit Center 3838 is at 2.085279 -1.014615 3.198507 ESP Fit Center 3839 is at 3.459678 -3.395146 3.198507 ESP Fit Center 3840 is at 3.870429 -3.341069 3.198507 ESP Fit Center 3841 is at 4.253188 -3.182525 3.198507 ESP Fit Center 3842 is at 4.581871 -2.930318 3.198507 ESP Fit Center 3843 is at 4.834078 -2.601636 3.198507 ESP Fit Center 3844 is at 4.992622 -2.218876 3.198507 ESP Fit Center 3845 is at 2.269319 -0.315462 2.923349 ESP Fit Center 3846 is at 1.967015 -0.617766 2.923349 ESP Fit Center 3847 is at 3.459678 -3.717314 2.923349 ESP Fit Center 3848 is at 3.884513 -3.669446 2.923349 ESP Fit Center 3849 is at 4.288044 -3.528245 2.923349 ESP Fit Center 3850 is at 4.650038 -3.300789 2.923349 ESP Fit Center 3851 is at 4.952342 -2.998485 2.923349 ESP Fit Center 3852 is at 5.179798 -2.636491 2.923349 ESP Fit Center 3853 is at 5.320999 -2.232960 2.923349 ESP Fit Center 3854 is at 2.029236 -0.157307 2.601181 ESP Fit Center 3855 is at 1.742667 -0.457852 2.601181 ESP Fit Center 3856 is at 3.563614 -3.989997 2.601181 ESP Fit Center 3857 is at 3.974657 -3.930898 2.601181 ESP Fit Center 3858 is at 5.604550 -2.221516 2.601181 ESP Fit Center 3859 is at 5.865396 -1.808125 2.239935 ESP Fit Center 3860 is at 3.459678 -4.213843 2.239935 ESP Fit Center 3861 is at 6.027531 -1.808125 1.848507 ESP Fit Center 3862 is at 3.247627 -4.367208 1.848507 ESP Fit Center 3863 is at 6.093605 -1.390953 1.436534 ESP Fit Center 3864 is at 3.042505 -4.442052 1.436534 ESP Fit Center 3865 is at 6.128036 -1.395972 1.014161 ESP Fit Center 3866 is at 6.033849 -0.993480 1.014161 ESP Fit Center 3867 is at 2.744228 -4.411610 1.014161 ESP Fit Center 3868 is at 3.150033 -4.490311 1.014161 ESP Fit Center 3869 is at 6.093605 -1.390953 0.591788 ESP Fit Center 3870 is at 5.995916 -0.984052 0.591788 ESP Fit Center 3871 is at 5.835778 -0.597442 0.591788 ESP Fit Center 3872 is at 5.617131 -0.240644 0.591788 ESP Fit Center 3873 is at 2.248995 -4.184225 0.591788 ESP Fit Center 3874 is at 2.635605 -4.344364 0.591788 ESP Fit Center 3875 is at 3.042505 -4.442052 0.591788 ESP Fit Center 3876 is at 5.992509 -1.385471 0.179815 ESP Fit Center 3877 is at 5.888398 -0.974345 0.179815 ESP Fit Center 3878 is at 1.195851 -3.811805 0.203220 ESP Fit Center 3879 is at 1.558104 -4.037600 0.203220 ESP Fit Center 3880 is at 1.958395 -4.185851 0.203220 ESP Fit Center 3881 is at 2.380334 -4.250489 0.203220 ESP Fit Center 3882 is at 0.781739 -3.698258 -0.162817 ESP Fit Center 3883 is at 1.096457 -3.985161 -0.162817 ESP Fit Center 3884 is at 1.458534 -4.209350 -0.162817 ESP Fit Center 3885 is at 1.855641 -4.363190 -0.162817 ESP Fit Center 3886 is at 2.274254 -4.441442 -0.162817 ESP Fit Center 3887 is at 0.615825 -3.713796 -0.556466 ESP Fit Center 3888 is at 0.916928 -4.014899 -0.556466 ESP Fit Center 3889 is at 1.265742 -4.259141 -0.556466 ESP Fit Center 3890 is at 1.651669 -4.439102 -0.556466 ESP Fit Center 3891 is at 2.062983 -4.549313 -0.556466 ESP Fit Center 3892 is at 0.406473 -3.549854 -0.966990 ESP Fit Center 3893 is at 0.674071 -3.881268 -0.966990 ESP Fit Center 3894 is at 0.993829 -4.162690 -0.966990 ESP Fit Center 3895 is at 1.356548 -4.386025 -0.966990 ESP Fit Center 3896 is at 1.751793 -4.544848 -0.966990 ESP Fit Center 3897 is at 0.406473 -3.549854 -1.383190 ESP Fit Center 3898 is at 0.674071 -3.881268 -1.383190 ESP Fit Center 3899 is at 0.993829 -4.162690 -1.383190 ESP Fit Center 3900 is at 1.356548 -4.386025 -1.383190 ESP Fit Center 3901 is at 1.751793 -4.544848 -1.383190 ESP Fit Center 3902 is at 0.191622 -2.979055 -1.793713 ESP Fit Center 3903 is at 0.371583 -3.364982 -1.793713 ESP Fit Center 3904 is at 0.615825 -3.713796 -1.793713 ESP Fit Center 3905 is at 0.916928 -4.014899 -1.793713 ESP Fit Center 3906 is at 1.265742 -4.259141 -1.793713 ESP Fit Center 3907 is at 1.651669 -4.439102 -1.793713 ESP Fit Center 3908 is at 0.179437 -2.143538 -2.187362 ESP Fit Center 3909 is at 0.218731 -2.567585 -2.187362 ESP Fit Center 3910 is at 0.335275 -2.977193 -2.187362 ESP Fit Center 3911 is at 0.525099 -3.358411 -2.187362 ESP Fit Center 3912 is at 0.781739 -3.698258 -2.187362 ESP Fit Center 3913 is at 1.096457 -3.985161 -2.187362 ESP Fit Center 3914 is at 1.458534 -4.209350 -2.187362 ESP Fit Center 3915 is at 0.474277 -1.511983 -2.553399 ESP Fit Center 3916 is at 0.388351 -1.930107 -2.553399 ESP Fit Center 3917 is at 0.388351 -2.356968 -2.553399 ESP Fit Center 3918 is at 0.474277 -2.775092 -2.553399 ESP Fit Center 3919 is at 0.642613 -3.167360 -2.553399 ESP Fit Center 3920 is at 0.886465 -3.517712 -2.553399 ESP Fit Center 3921 is at 1.195851 -3.811805 -2.553399 ESP Fit Center 3922 is at 1.558104 -4.037600 -2.553399 ESP Fit Center 3923 is at 4.291235 -1.715970 -2.881839 ESP Fit Center 3924 is at 4.144003 -1.311453 -2.881839 ESP Fit Center 3925 is at 2.809134 -0.317680 -2.881839 ESP Fit Center 3926 is at 2.379384 -0.292650 -2.881839 ESP Fit Center 3927 is at 1.955446 -0.367402 -2.881839 ESP Fit Center 3928 is at 1.560174 -0.537906 -2.881839 ESP Fit Center 3929 is at 1.214878 -0.794969 -2.881839 ESP Fit Center 3930 is at 0.938172 -1.124735 -2.881839 ESP Fit Center 3931 is at 0.744973 -1.509424 -2.881839 ESP Fit Center 3932 is at 0.645698 -1.928299 -2.881839 ESP Fit Center 3933 is at 0.645698 -2.358777 -2.881839 ESP Fit Center 3934 is at 0.744973 -2.777651 -2.881839 ESP Fit Center 3935 is at 0.938172 -3.162341 -2.881839 ESP Fit Center 3936 is at 1.214878 -3.492106 -2.881839 ESP Fit Center 3937 is at 1.560174 -3.749170 -2.881839 ESP Fit Center 3938 is at 1.955446 -3.919673 -2.881839 ESP Fit Center 3939 is at 3.977605 -1.725942 -3.163724 ESP Fit Center 3940 is at 3.809670 -1.339317 -3.163724 ESP Fit Center 3941 is at 3.543653 -1.012338 -3.163724 ESP Fit Center 3942 is at 3.199282 -0.769255 -3.163724 ESP Fit Center 3943 is at 2.802099 -0.628096 -3.163724 ESP Fit Center 3944 is at 2.381559 -0.599330 -3.163724 ESP Fit Center 3945 is at 1.968854 -0.685091 -3.163724 ESP Fit Center 3946 is at 1.594591 -0.879019 -3.163724 ESP Fit Center 3947 is at 1.286528 -1.166730 -3.163724 ESP Fit Center 3948 is at 1.067512 -1.526886 -3.163724 ESP Fit Center 3949 is at 0.953787 -1.932777 -3.163724 ESP Fit Center 3950 is at 0.953787 -2.354299 -3.163724 ESP Fit Center 3951 is at 1.067512 -2.760189 -3.163724 ESP Fit Center 3952 is at 1.286528 -3.120346 -3.163724 ESP Fit Center 3953 is at 1.594591 -3.408057 -3.163724 ESP Fit Center 3954 is at 1.968854 -3.601984 -3.163724 ESP Fit Center 3955 is at 3.686574 -2.143538 -3.391364 ESP Fit Center 3956 is at 3.614242 -1.733323 -3.391364 ESP Fit Center 3957 is at 3.405970 -1.372586 -3.391364 ESP Fit Center 3958 is at 3.086880 -1.104838 -3.391364 ESP Fit Center 3959 is at 2.695458 -0.962372 -3.391364 ESP Fit Center 3960 is at 2.278915 -0.962372 -3.391364 ESP Fit Center 3961 is at 1.887492 -1.104838 -3.391364 ESP Fit Center 3962 is at 1.568402 -1.372586 -3.391364 ESP Fit Center 3963 is at 1.360131 -1.733323 -3.391364 ESP Fit Center 3964 is at 1.287799 -2.143538 -3.391364 ESP Fit Center 3965 is at 1.360131 -2.553752 -3.391364 ESP Fit Center 3966 is at 1.568402 -2.914489 -3.391364 ESP Fit Center 3967 is at 1.887492 -3.182238 -3.391364 ESP Fit Center 3968 is at 2.278915 -3.324704 -3.391364 ESP Fit Center 3969 is at 3.305429 -2.143538 -3.558549 ESP Fit Center 3970 is at 3.195805 -1.734416 -3.558549 ESP Fit Center 3971 is at 2.896308 -1.434919 -3.558549 ESP Fit Center 3972 is at 2.487186 -1.325295 -3.558549 ESP Fit Center 3973 is at 2.078065 -1.434919 -3.558549 ESP Fit Center 3974 is at 1.778567 -1.734416 -3.558549 ESP Fit Center 3975 is at 1.668944 -2.143538 -3.558549 ESP Fit Center 3976 is at 1.778567 -2.552659 -3.558549 ESP Fit Center 3977 is at 2.078065 -2.852157 -3.558549 ESP Fit Center 3978 is at 2.487186 -2.961780 -3.558549 ESP Fit Center 3979 is at 2.896308 -2.852157 -3.558549 ESP Fit Center 3980 is at 3.195805 -2.552659 -3.558549 ESP Fit Center 3981 is at 2.901965 -2.143538 -3.660720 ESP Fit Center 3982 is at 2.694575 -1.784329 -3.660720 ESP Fit Center 3983 is at 2.279797 -1.784329 -3.660720 ESP Fit Center 3984 is at 2.072408 -2.143538 -3.660720 ESP Fit Center 3985 is at 2.279797 -2.502746 -3.660720 ESP Fit Center 3986 is at 2.694575 -2.502746 -3.660720 ESP Fit Center 3987 is at 2.487186 -2.143538 -3.695090 ESP Fit Center 3988 is at -0.629266 2.742633 2.939472 ESP Fit Center 3989 is at -0.214487 2.742633 2.905103 ESP Fit Center 3990 is at -0.421876 3.101841 2.905103 ESP Fit Center 3991 is at -0.836655 3.101841 2.905103 ESP Fit Center 3992 is at -1.044044 2.742633 2.905103 ESP Fit Center 3993 is at -0.836655 2.383424 2.905103 ESP Fit Center 3994 is at -0.421876 2.383424 2.905103 ESP Fit Center 3995 is at 0.188977 2.742633 2.802932 ESP Fit Center 3996 is at 0.079353 3.151754 2.802932 ESP Fit Center 3997 is at -0.220144 3.451252 2.802932 ESP Fit Center 3998 is at -0.629266 3.560875 2.802932 ESP Fit Center 3999 is at -1.038387 3.451252 2.802932 ESP Fit Center 4000 is at -1.337885 3.151754 2.802932 ESP Fit Center 4001 is at -1.447508 2.742633 2.802932 ESP Fit Center 4002 is at -1.337885 2.333511 2.802932 ESP Fit Center 4003 is at -1.038387 2.034014 2.802932 ESP Fit Center 4004 is at 0.497790 3.152847 2.635746 ESP Fit Center 4005 is at 0.289518 3.513584 2.635746 ESP Fit Center 4006 is at -0.029572 3.781333 2.635746 ESP Fit Center 4007 is at -0.420994 3.923799 2.635746 ESP Fit Center 4008 is at -0.837537 3.923799 2.635746 ESP Fit Center 4009 is at -1.228959 3.781333 2.635746 ESP Fit Center 4010 is at -1.548050 3.513584 2.635746 ESP Fit Center 4011 is at -1.756321 3.152847 2.635746 ESP Fit Center 4012 is at -1.828653 2.742633 2.635746 ESP Fit Center 4013 is at -1.756321 2.332418 2.635746 ESP Fit Center 4014 is at 0.693218 3.546853 2.408106 ESP Fit Center 4015 is at 0.427201 3.873832 2.408106 ESP Fit Center 4016 is at 0.082830 4.116916 2.408106 ESP Fit Center 4017 is at -0.314353 4.258075 2.408106 ESP Fit Center 4018 is at -0.734892 4.286840 2.408106 ESP Fit Center 4019 is at -1.147598 4.201079 2.408106 ESP Fit Center 4020 is at -1.521861 4.007152 2.408106 ESP Fit Center 4021 is at -1.829924 3.719441 2.408106 ESP Fit Center 4022 is at -2.048940 3.359284 2.408106 ESP Fit Center 4023 is at -2.162665 2.953394 2.408106 ESP Fit Center 4024 is at -2.162665 2.531872 2.408106 ESP Fit Center 4025 is at 0.790999 3.934377 2.126222 ESP Fit Center 4026 is at 0.477881 4.229789 2.126222 ESP Fit Center 4027 is at 0.105076 4.445028 2.126222 ESP Fit Center 4028 is at -0.307318 4.568490 2.126222 ESP Fit Center 4029 is at -0.737068 4.593520 2.126222 ESP Fit Center 4030 is at -1.161006 4.518768 2.126222 ESP Fit Center 4031 is at -1.556278 4.348265 2.126222 ESP Fit Center 4032 is at -1.901574 4.091201 2.126222 ESP Fit Center 4033 is at -2.178280 3.761436 2.126222 ESP Fit Center 4034 is at -2.371479 3.376746 2.126222 ESP Fit Center 4035 is at -2.470754 2.957872 2.126222 ESP Fit Center 4036 is at 0.824220 4.271699 1.797781 ESP Fit Center 4037 is at 0.486668 4.532983 1.797781 ESP Fit Center 4038 is at 0.103430 4.720970 1.797781 ESP Fit Center 4039 is at -0.309805 4.827964 1.797781 ESP Fit Center 4040 is at -0.736118 4.849584 1.797781 ESP Fit Center 4041 is at -1.158057 4.784946 1.797781 ESP Fit Center 4042 is at -1.558347 4.636695 1.797781 ESP Fit Center 4043 is at -1.920601 4.410900 1.797781 ESP Fit Center 4044 is at -2.229987 4.116807 1.797781 ESP Fit Center 4045 is at -2.473839 3.766455 1.797781 ESP Fit Center 4046 is at -2.642175 3.374187 1.797781 ESP Fit Center 4047 is at -2.728101 2.956063 1.797781 ESP Fit Center 4048 is at 0.761464 4.584256 1.431745 ESP Fit Center 4049 is at 0.399386 4.808445 1.431745 ESP Fit Center 4050 is at 0.002280 4.962285 1.431745 ESP Fit Center 4051 is at -0.416333 5.040537 1.431745 ESP Fit Center 4052 is at -0.842198 5.040537 1.431745 ESP Fit Center 4053 is at -1.260811 4.962285 1.431745 ESP Fit Center 4054 is at -1.657918 4.808445 1.431745 ESP Fit Center 4055 is at -2.019995 4.584256 1.431745 ESP Fit Center 4056 is at -2.334713 4.297353 1.431745 ESP Fit Center 4057 is at -2.591353 3.957506 1.431745 ESP Fit Center 4058 is at -2.781177 3.576288 1.431745 ESP Fit Center 4059 is at -2.897721 3.166680 1.431745 ESP Fit Center 4060 is at 0.592179 4.858236 1.038095 ESP Fit Center 4061 is at 0.206251 5.038197 1.038095 ESP Fit Center 4062 is at -0.205062 5.148408 1.038095 ESP Fit Center 4063 is at -0.629266 5.185521 1.038095 ESP Fit Center 4064 is at -1.053469 5.148408 1.038095 ESP Fit Center 4065 is at -1.464783 5.038197 1.038095 ESP Fit Center 4066 is at -1.850710 4.858236 1.038095 ESP Fit Center 4067 is at -2.199524 4.613994 1.038095 ESP Fit Center 4068 is at -2.500627 4.312891 1.038095 ESP Fit Center 4069 is at -2.744869 3.964077 1.038095 ESP Fit Center 4070 is at -2.924830 3.578150 1.038095 ESP Fit Center 4071 is at -3.035041 3.166836 1.038095 ESP Fit Center 4072 is at -3.072154 2.742633 1.038095 ESP Fit Center 4073 is at 0.687476 4.881157 0.627572 ESP Fit Center 4074 is at 0.307123 5.072927 0.627572 ESP Fit Center 4075 is at -0.100167 5.197658 0.627572 ESP Fit Center 4076 is at -0.522679 5.251763 0.627572 ESP Fit Center 4077 is at -0.948257 5.233684 0.627572 ESP Fit Center 4078 is at -1.364659 5.143943 0.627572 ESP Fit Center 4079 is at -1.759904 4.985120 0.627572 ESP Fit Center 4080 is at -2.122623 4.761785 0.627572 ESP Fit Center 4081 is at -2.442381 4.480363 0.627572 ESP Fit Center 4082 is at -2.709979 4.148949 0.627572 ESP Fit Center 4083 is at -2.917718 3.777079 0.627572 ESP Fit Center 4084 is at -3.059623 3.375449 0.627572 ESP Fit Center 4085 is at -3.131611 2.955614 0.627572 ESP Fit Center 4086 is at 0.687476 4.881157 0.211372 ESP Fit Center 4087 is at 0.307123 5.072927 0.211372 ESP Fit Center 4088 is at -0.100167 5.197658 0.211372 ESP Fit Center 4089 is at -0.522679 5.251763 0.211372 ESP Fit Center 4090 is at -0.948257 5.233684 0.211372 ESP Fit Center 4091 is at -1.364659 5.143943 0.211372 ESP Fit Center 4092 is at -1.759904 4.985120 0.211372 ESP Fit Center 4093 is at -2.122623 4.761785 0.211372 ESP Fit Center 4094 is at -2.442381 4.480363 0.211372 ESP Fit Center 4095 is at -2.709979 4.148949 0.211372 ESP Fit Center 4096 is at -2.917718 3.777079 0.211372 ESP Fit Center 4097 is at -3.059623 3.375449 0.211372 ESP Fit Center 4098 is at 0.592179 4.858236 -0.199151 ESP Fit Center 4099 is at 0.206251 5.038197 -0.199151 ESP Fit Center 4100 is at -0.205062 5.148408 -0.199151 ESP Fit Center 4101 is at -0.629266 5.185521 -0.199151 ESP Fit Center 4102 is at -1.053469 5.148408 -0.199151 ESP Fit Center 4103 is at -1.464783 5.038197 -0.199151 ESP Fit Center 4104 is at -1.850710 4.858236 -0.199151 ESP Fit Center 4105 is at -2.199524 4.613994 -0.199151 ESP Fit Center 4106 is at -2.500627 4.312891 -0.199151 ESP Fit Center 4107 is at -2.744869 3.964077 -0.199151 ESP Fit Center 4108 is at -2.924830 3.578150 -0.199151 ESP Fit Center 4109 is at -3.035041 3.166836 -0.199151 ESP Fit Center 4110 is at 0.399386 4.808445 -0.592800 ESP Fit Center 4111 is at 0.002280 4.962285 -0.592800 ESP Fit Center 4112 is at -0.416333 5.040537 -0.592800 ESP Fit Center 4113 is at -0.842198 5.040537 -0.592800 ESP Fit Center 4114 is at -1.260811 4.962285 -0.592800 ESP Fit Center 4115 is at -1.657918 4.808445 -0.592800 ESP Fit Center 4116 is at -2.019995 4.584256 -0.592800 ESP Fit Center 4117 is at -2.334713 4.297353 -0.592800 ESP Fit Center 4118 is at -2.591353 3.957506 -0.592800 ESP Fit Center 4119 is at -2.781177 3.576288 -0.592800 ESP Fit Center 4120 is at 0.486668 4.532983 -0.958837 ESP Fit Center 4121 is at 0.103430 4.720970 -0.958837 ESP Fit Center 4122 is at -0.309805 4.827964 -0.958837 ESP Fit Center 4123 is at -0.736118 4.849584 -0.958837 ESP Fit Center 4124 is at -1.158057 4.784946 -0.958837 ESP Fit Center 4125 is at -1.558347 4.636695 -0.958837 ESP Fit Center 4126 is at -1.920601 4.410900 -0.958837 ESP Fit Center 4127 is at -2.229987 4.116807 -0.958837 ESP Fit Center 4128 is at -2.473839 3.766455 -0.958837 ESP Fit Center 4129 is at 0.477881 4.229789 -1.287278 ESP Fit Center 4130 is at 0.105076 4.445028 -1.287278 ESP Fit Center 4131 is at -0.307318 4.568490 -1.287278 ESP Fit Center 4132 is at -0.737068 4.593520 -1.287278 ESP Fit Center 4133 is at -1.161006 4.518768 -1.287278 ESP Fit Center 4134 is at -1.556278 4.348265 -1.287278 ESP Fit Center 4135 is at -1.901574 4.091201 -1.287278 ESP Fit Center 4136 is at -2.178280 3.761436 -1.287278 ESP Fit Center 4137 is at 0.082830 4.116916 -1.569162 ESP Fit Center 4138 is at -0.314353 4.258075 -1.569162 ESP Fit Center 4139 is at -0.734892 4.286840 -1.569162 ESP Fit Center 4140 is at -1.147598 4.201079 -1.569162 ESP Fit Center 4141 is at -1.521861 4.007152 -1.569162 ESP Fit Center 4142 is at -1.829924 3.719441 -1.569162 ESP Fit Center 4143 is at -0.029572 3.781333 -1.796802 ESP Fit Center 4144 is at -0.420994 3.923799 -1.796802 ESP Fit Center 4145 is at -0.837537 3.923799 -1.796802 ESP Fit Center 4146 is at -1.228959 3.781333 -1.796802 ESP Fit Center 4147 is at -1.548050 3.513584 -1.796802 ESP Fit Center 4148 is at -0.220144 3.451252 -1.963987 ESP Fit Center 4149 is at -0.629266 3.560875 -1.963987 ESP Fit Center 4150 is at -1.038387 3.451252 -1.963987 ESP Fit Center 4151 is at -0.421876 3.101841 -2.066158 ESP Fit Center 4152 is at -0.836655 3.101841 -2.066158 ESP Fit Center 4153 is at 0.121631 1.825883 2.950609 ESP Fit Center 4154 is at 0.544004 1.825883 2.917368 ESP Fit Center 4155 is at 0.332817 2.191668 2.917368 ESP Fit Center 4156 is at -0.089556 2.191668 2.917368 ESP Fit Center 4157 is at -0.300742 1.825883 2.917368 ESP Fit Center 4158 is at -0.089556 1.460097 2.917368 ESP Fit Center 4159 is at 0.332817 1.460097 2.917368 ESP Fit Center 4160 is at 0.955976 1.825883 2.818462 ESP Fit Center 4161 is at 0.844195 2.243055 2.818462 ESP Fit Center 4162 is at 0.538804 2.548447 2.818462 ESP Fit Center 4163 is at -0.712715 1.825883 2.818462 ESP Fit Center 4164 is at -0.600934 1.408710 2.818462 ESP Fit Center 4165 is at -0.295542 1.103318 2.818462 ESP Fit Center 4166 is at 0.121631 0.991537 2.818462 ESP Fit Center 4167 is at 0.538804 1.103318 2.818462 ESP Fit Center 4168 is at 0.844195 1.408710 2.818462 ESP Fit Center 4169 is at 0.734518 2.887434 2.656327 ESP Fit Center 4170 is at 0.734518 0.764331 2.656327 ESP Fit Center 4171 is at 1.060628 1.037970 2.656327 ESP Fit Center 4172 is at 0.121631 3.412903 -1.933737 ESP Fit Center 4173 is at 0.334484 3.033035 -2.155108 ESP Fit Center 4174 is at -0.091223 3.033035 -2.155108 ESP Fit Center 4175 is at -0.491257 2.887434 -2.155108 ESP Fit Center 4176 is at 0.121631 2.660228 -2.317243 ESP Fit Center 4177 is at -0.295542 2.548447 -2.317243 ESP Fit Center 4178 is at 0.544004 1.825883 -2.416149 ESP Fit Center 4179 is at 0.332817 2.191668 -2.416149 ESP Fit Center 4180 is at -0.089556 2.191668 -2.416149 ESP Fit Center 4181 is at -0.089556 1.460097 -2.416149 ESP Fit Center 4182 is at 0.332817 1.460097 -2.416149 ESP Fit Center 4183 is at 0.121631 1.825883 -2.449391 ESP Fit Center 4184 is at 1.481374 2.059917 2.829290 ESP Fit Center 4185 is at 1.903748 2.059917 2.796049 ESP Fit Center 4186 is at 1.692561 2.425702 2.796049 ESP Fit Center 4187 is at 1.270188 2.425702 2.796049 ESP Fit Center 4188 is at 1.059001 2.059917 2.796049 ESP Fit Center 4189 is at 1.270188 1.694131 2.796049 ESP Fit Center 4190 is at 1.692561 1.694131 2.796049 ESP Fit Center 4191 is at 2.315720 2.059917 2.697143 ESP Fit Center 4192 is at 2.203939 2.477090 2.697143 ESP Fit Center 4193 is at 1.898547 2.782481 2.697143 ESP Fit Center 4194 is at 1.481374 2.894262 2.697143 ESP Fit Center 4195 is at 1.064202 2.782481 2.697143 ESP Fit Center 4196 is at 1.481374 1.225571 2.697143 ESP Fit Center 4197 is at 1.898547 1.337352 2.697143 ESP Fit Center 4198 is at 2.203939 1.642744 2.697143 ESP Fit Center 4199 is at 2.707149 2.059917 2.535008 ESP Fit Center 4200 is at 2.633226 2.479156 2.535008 ESP Fit Center 4201 is at 2.420372 2.847829 2.535008 ESP Fit Center 4202 is at 2.094262 3.121468 2.535008 ESP Fit Center 4203 is at 1.694228 3.267069 2.535008 ESP Fit Center 4204 is at 1.268521 3.267069 2.535008 ESP Fit Center 4205 is at 0.868487 3.121468 2.535008 ESP Fit Center 4206 is at 1.268521 0.852764 2.535008 ESP Fit Center 4207 is at 1.694228 0.852764 2.535008 ESP Fit Center 4208 is at 3.014318 2.470668 2.313636 ESP Fit Center 4209 is at 2.855774 2.853427 2.313636 ESP Fit Center 4210 is at 2.603567 3.182109 2.313636 ESP Fit Center 4211 is at 2.274885 3.434316 2.313636 ESP Fit Center 4212 is at 1.892125 3.592860 2.313636 ESP Fit Center 4213 is at 1.481374 3.646937 2.313636 ESP Fit Center 4214 is at 1.070623 3.592860 2.313636 ESP Fit Center 4215 is at 3.201494 2.888282 2.038479 ESP Fit Center 4216 is at 2.974038 3.250276 2.038479 ESP Fit Center 4217 is at 1.056540 3.921238 2.038479 ESP Fit Center 4218 is at 3.318963 3.240863 1.716311 ESP Fit Center 4219 is at 3.062260 3.567288 -1.457730 ESP Fit Center 4220 is at 0.766945 4.124125 -1.457730 ESP Fit Center 4221 is at 2.974038 3.250276 -1.779898 ESP Fit Center 4222 is at 2.671734 3.552580 -1.779898 ESP Fit Center 4223 is at 2.309740 3.780036 -1.779898 ESP Fit Center 4224 is at 1.906209 3.921238 -1.779898 ESP Fit Center 4225 is at 1.481374 3.969105 -1.779898 ESP Fit Center 4226 is at 1.056540 3.921238 -1.779898 ESP Fit Center 4227 is at 0.653009 3.780036 -1.779898 ESP Fit Center 4228 is at 2.603567 3.182109 -2.055055 ESP Fit Center 4229 is at 2.274885 3.434316 -2.055055 ESP Fit Center 4230 is at 1.892125 3.592860 -2.055055 ESP Fit Center 4231 is at 1.481374 3.646937 -2.055055 ESP Fit Center 4232 is at 1.070623 3.592860 -2.055055 ESP Fit Center 4233 is at 0.687864 3.434316 -2.055055 ESP Fit Center 4234 is at 2.420372 2.847829 -2.276427 ESP Fit Center 4235 is at 2.094262 3.121468 -2.276427 ESP Fit Center 4236 is at 1.694228 3.267069 -2.276427 ESP Fit Center 4237 is at 1.268521 3.267069 -2.276427 ESP Fit Center 4238 is at 0.868487 3.121468 -2.276427 ESP Fit Center 4239 is at 0.542377 2.847829 -2.276427 ESP Fit Center 4240 is at 2.203939 2.477090 -2.438562 ESP Fit Center 4241 is at 1.898547 2.782481 -2.438562 ESP Fit Center 4242 is at 1.481374 2.894262 -2.438562 ESP Fit Center 4243 is at 1.064202 2.782481 -2.438562 ESP Fit Center 4244 is at 0.758810 2.477090 -2.438562 ESP Fit Center 4245 is at 0.647029 2.059917 -2.438562 ESP Fit Center 4246 is at 0.758810 1.642744 -2.438562 ESP Fit Center 4247 is at 1.064202 1.337352 -2.438562 ESP Fit Center 4248 is at 1.903748 2.059917 -2.537468 ESP Fit Center 4249 is at 1.692561 2.425702 -2.537468 ESP Fit Center 4250 is at 1.270188 2.425702 -2.537468 ESP Fit Center 4251 is at 1.059001 2.059917 -2.537468 ESP Fit Center 4252 is at 1.270188 1.694131 -2.537468 ESP Fit Center 4253 is at 1.481374 2.059917 -2.570710 ESP Fit Center 4254 is at 2.482564 1.146168 2.649957 ESP Fit Center 4255 is at 2.904937 1.146168 2.616715 ESP Fit Center 4256 is at 2.693751 1.511954 2.616715 ESP Fit Center 4257 is at 2.060191 1.146168 2.616715 ESP Fit Center 4258 is at 2.271378 0.780382 2.616715 ESP Fit Center 4259 is at 2.693751 0.780382 2.616715 ESP Fit Center 4260 is at 3.316910 1.146168 2.517809 ESP Fit Center 4261 is at 3.205129 1.563341 2.517809 ESP Fit Center 4262 is at 2.899737 1.868733 2.517809 ESP Fit Center 4263 is at 1.759999 0.728995 2.517809 ESP Fit Center 4264 is at 2.065391 0.423603 2.517809 ESP Fit Center 4265 is at 3.095451 2.207720 2.355674 ESP Fit Center 4266 is at 2.907399 3.007489 -1.959232 ESP Fit Center 4267 is at 2.893315 2.679112 -2.234389 ESP Fit Center 4268 is at 3.095451 2.207720 -2.455761 ESP Fit Center 4269 is at 2.695418 2.353320 -2.455761 ESP Fit Center 4270 is at 2.269711 2.353320 -2.455761 ESP Fit Center 4271 is at 1.256790 1.146168 -2.455761 ESP Fit Center 4272 is at 3.316910 1.146168 -2.617896 ESP Fit Center 4273 is at 3.205129 1.563341 -2.617896 ESP Fit Center 4274 is at 2.899737 1.868733 -2.617896 ESP Fit Center 4275 is at 2.482564 1.980514 -2.617896 ESP Fit Center 4276 is at 2.065391 1.868733 -2.617896 ESP Fit Center 4277 is at 1.759999 1.563341 -2.617896 ESP Fit Center 4278 is at 1.648218 1.146168 -2.617896 ESP Fit Center 4279 is at 3.205129 0.728995 -2.617896 ESP Fit Center 4280 is at 2.904937 1.146168 -2.716802 ESP Fit Center 4281 is at 2.693751 1.511954 -2.716802 ESP Fit Center 4282 is at 2.271378 1.511954 -2.716802 ESP Fit Center 4283 is at 2.060191 1.146168 -2.716802 ESP Fit Center 4284 is at 2.271378 0.780382 -2.716802 ESP Fit Center 4285 is at 2.693751 0.780382 -2.716802 ESP Fit Center 4286 is at 2.482564 1.146168 -2.750043 ESP Fit Center 4287 is at 3.637243 1.465396 2.415960 ESP Fit Center 4288 is at 4.052021 1.465396 2.381591 ESP Fit Center 4289 is at 3.844632 1.824604 2.381591 ESP Fit Center 4290 is at 3.844632 1.106187 2.381591 ESP Fit Center 4291 is at 4.455485 1.465396 2.279420 ESP Fit Center 4292 is at 4.345862 1.874517 2.279420 ESP Fit Center 4293 is at 4.046364 2.174015 2.279420 ESP Fit Center 4294 is at 3.637243 2.283638 2.279420 ESP Fit Center 4295 is at 4.345862 1.056274 2.279420 ESP Fit Center 4296 is at 4.836630 1.465396 2.112234 ESP Fit Center 4297 is at 4.764298 1.875610 2.112234 ESP Fit Center 4298 is at 4.556027 2.236347 2.112234 ESP Fit Center 4299 is at 4.236937 2.504096 2.112234 ESP Fit Center 4300 is at 3.845514 2.646562 2.112234 ESP Fit Center 4301 is at 3.428971 2.646562 2.112234 ESP Fit Center 4302 is at 4.764298 1.055181 2.112234 ESP Fit Center 4303 is at 5.185059 1.465396 1.884594 ESP Fit Center 4304 is at 5.127662 1.882991 1.884594 ESP Fit Center 4305 is at 4.959727 2.269616 1.884594 ESP Fit Center 4306 is at 4.693710 2.596595 1.884594 ESP Fit Center 4307 is at 4.349339 2.839679 1.884594 ESP Fit Center 4308 is at 3.952155 2.980838 1.884594 ESP Fit Center 4309 is at 3.531616 3.009603 1.884594 ESP Fit Center 4310 is at 5.127662 1.047800 1.884594 ESP Fit Center 4311 is at 5.491267 1.465396 1.602710 ESP Fit Center 4312 is at 5.441292 1.892963 1.602710 ESP Fit Center 4313 is at 5.294059 2.297480 1.602710 ESP Fit Center 4314 is at 5.057508 2.657139 1.602710 ESP Fit Center 4315 is at 4.744389 2.952551 1.602710 ESP Fit Center 4316 is at 4.371584 3.167791 1.602710 ESP Fit Center 4317 is at 3.959191 3.291253 1.602710 ESP Fit Center 4318 is at 3.529441 3.316283 1.602710 ESP Fit Center 4319 is at 5.294059 0.633311 1.602710 ESP Fit Center 4320 is at 5.441292 1.037828 1.602710 ESP Fit Center 4321 is at 5.746902 1.465396 1.274270 ESP Fit Center 4322 is at 5.703717 1.890067 1.274270 ESP Fit Center 4323 is at 5.575931 2.297352 1.274270 ESP Fit Center 4324 is at 5.368774 2.670577 1.274270 ESP Fit Center 4325 is at 5.090728 2.994462 1.274270 ESP Fit Center 4326 is at 4.753177 3.255746 1.274270 ESP Fit Center 4327 is at 4.369939 3.443733 1.274270 ESP Fit Center 4328 is at 3.956704 3.550727 1.274270 ESP Fit Center 4329 is at 5.575931 0.633439 1.274270 ESP Fit Center 4330 is at 5.703717 1.040724 1.274270 ESP Fit Center 4331 is at 5.944992 1.465396 0.908233 ESP Fit Center 4332 is at 5.905698 1.889443 0.908233 ESP Fit Center 4333 is at 5.789154 2.299051 0.908233 ESP Fit Center 4334 is at 5.599330 2.680269 0.908233 ESP Fit Center 4335 is at 5.342690 3.020116 0.908233 ESP Fit Center 4336 is at 5.027972 3.307019 0.908233 ESP Fit Center 4337 is at 4.665895 3.531208 0.908233 ESP Fit Center 4338 is at 4.268788 3.685048 0.908233 ESP Fit Center 4339 is at 3.850175 3.763300 0.908233 ESP Fit Center 4340 is at 5.599330 0.250522 0.908233 ESP Fit Center 4341 is at 5.789154 0.631741 0.908233 ESP Fit Center 4342 is at 5.905698 1.041348 0.908233 ESP Fit Center 4343 is at 6.080131 1.465396 0.514584 ESP Fit Center 4344 is at 6.043019 1.889599 0.514584 ESP Fit Center 4345 is at 5.932807 2.300913 0.514584 ESP Fit Center 4346 is at 5.752846 2.686840 0.514584 ESP Fit Center 4347 is at 5.508604 3.035654 0.514584 ESP Fit Center 4348 is at 5.207501 3.336757 0.514584 ESP Fit Center 4349 is at 4.858687 3.580999 0.514584 ESP Fit Center 4350 is at 4.472760 3.760960 0.514584 ESP Fit Center 4351 is at 4.061446 3.871171 0.514584 ESP Fit Center 4352 is at 5.752846 0.243951 0.514584 ESP Fit Center 4353 is at 5.932807 0.629878 0.514584 ESP Fit Center 4354 is at 6.043019 1.041192 0.514584 ESP Fit Center 4355 is at 6.148636 1.465396 0.104060 ESP Fit Center 4356 is at 6.112512 1.889823 0.104060 ESP Fit Center 4357 is at 6.005179 2.302041 0.104060 ESP Fit Center 4358 is at 5.829724 2.690189 0.104060 ESP Fit Center 4359 is at 5.591196 3.043103 0.104060 ESP Fit Center 4360 is at 5.296457 3.350629 0.104060 ESP Fit Center 4361 is at 4.953984 3.603920 0.104060 ESP Fit Center 4362 is at 4.573632 3.795690 0.104060 ESP Fit Center 4363 is at 4.166341 3.920421 0.104060 ESP Fit Center 4364 is at 3.743829 3.974526 0.104060 ESP Fit Center 4365 is at 5.829724 0.240602 0.104060 ESP Fit Center 4366 is at 6.005179 0.628751 0.104060 ESP Fit Center 4367 is at 6.112512 1.040968 0.104060 ESP Fit Center 4368 is at 6.148636 1.465396 -0.312140 ESP Fit Center 4369 is at 6.112512 1.889823 -0.312140 ESP Fit Center 4370 is at 6.005179 2.302041 -0.312140 ESP Fit Center 4371 is at 5.829724 2.690189 -0.312140 ESP Fit Center 4372 is at 5.591196 3.043103 -0.312140 ESP Fit Center 4373 is at 5.296457 3.350629 -0.312140 ESP Fit Center 4374 is at 4.953984 3.603920 -0.312140 ESP Fit Center 4375 is at 4.573632 3.795690 -0.312140 ESP Fit Center 4376 is at 4.166341 3.920421 -0.312140 ESP Fit Center 4377 is at 3.743829 3.974526 -0.312140 ESP Fit Center 4378 is at 5.829724 0.240602 -0.312140 ESP Fit Center 4379 is at 6.005179 0.628751 -0.312140 ESP Fit Center 4380 is at 6.112512 1.040968 -0.312140 ESP Fit Center 4381 is at 6.080131 1.465396 -0.722663 ESP Fit Center 4382 is at 6.043019 1.889599 -0.722663 ESP Fit Center 4383 is at 5.932807 2.300913 -0.722663 ESP Fit Center 4384 is at 5.752846 2.686840 -0.722663 ESP Fit Center 4385 is at 5.508604 3.035654 -0.722663 ESP Fit Center 4386 is at 5.207501 3.336757 -0.722663 ESP Fit Center 4387 is at 4.858687 3.580999 -0.722663 ESP Fit Center 4388 is at 4.472760 3.760960 -0.722663 ESP Fit Center 4389 is at 4.061446 3.871171 -0.722663 ESP Fit Center 4390 is at 3.637243 3.908284 -0.722663 ESP Fit Center 4391 is at 5.932807 0.629878 -0.722663 ESP Fit Center 4392 is at 6.043019 1.041192 -0.722663 ESP Fit Center 4393 is at 5.944992 1.465396 -1.116312 ESP Fit Center 4394 is at 5.905698 1.889443 -1.116312 ESP Fit Center 4395 is at 5.789154 2.299051 -1.116312 ESP Fit Center 4396 is at 5.599330 2.680269 -1.116312 ESP Fit Center 4397 is at 5.342690 3.020116 -1.116312 ESP Fit Center 4398 is at 5.027972 3.307019 -1.116312 ESP Fit Center 4399 is at 4.665895 3.531208 -1.116312 ESP Fit Center 4400 is at 4.268788 3.685048 -1.116312 ESP Fit Center 4401 is at 3.850175 3.763300 -1.116312 ESP Fit Center 4402 is at 3.424311 3.763300 -1.116312 ESP Fit Center 4403 is at 5.789154 0.631741 -1.116312 ESP Fit Center 4404 is at 5.905698 1.041348 -1.116312 ESP Fit Center 4405 is at 5.746902 1.465396 -1.482349 ESP Fit Center 4406 is at 5.703717 1.890067 -1.482349 ESP Fit Center 4407 is at 5.575931 2.297352 -1.482349 ESP Fit Center 4408 is at 5.368774 2.670577 -1.482349 ESP Fit Center 4409 is at 5.090728 2.994462 -1.482349 ESP Fit Center 4410 is at 4.753177 3.255746 -1.482349 ESP Fit Center 4411 is at 4.369939 3.443733 -1.482349 ESP Fit Center 4412 is at 3.956704 3.550727 -1.482349 ESP Fit Center 4413 is at 3.530390 3.572347 -1.482349 ESP Fit Center 4414 is at 3.108451 3.507709 -1.482349 ESP Fit Center 4415 is at 5.575931 0.633439 -1.482349 ESP Fit Center 4416 is at 5.703717 1.040724 -1.482349 ESP Fit Center 4417 is at 5.491267 1.465396 -1.810789 ESP Fit Center 4418 is at 5.441292 1.892963 -1.810789 ESP Fit Center 4419 is at 5.294059 2.297480 -1.810789 ESP Fit Center 4420 is at 5.057508 2.657139 -1.810789 ESP Fit Center 4421 is at 4.744389 2.952551 -1.810789 ESP Fit Center 4422 is at 4.371584 3.167791 -1.810789 ESP Fit Center 4423 is at 3.959191 3.291253 -1.810789 ESP Fit Center 4424 is at 3.529441 3.316283 -1.810789 ESP Fit Center 4425 is at 3.105503 3.241531 -1.810789 ESP Fit Center 4426 is at 5.294059 0.633311 -1.810789 ESP Fit Center 4427 is at 5.441292 1.037828 -1.810789 ESP Fit Center 4428 is at 5.185059 1.465396 -2.092674 ESP Fit Center 4429 is at 5.127662 1.882991 -2.092674 ESP Fit Center 4430 is at 4.959727 2.269616 -2.092674 ESP Fit Center 4431 is at 4.693710 2.596595 -2.092674 ESP Fit Center 4432 is at 4.349339 2.839679 -2.092674 ESP Fit Center 4433 is at 3.952155 2.980838 -2.092674 ESP Fit Center 4434 is at 3.531616 3.009603 -2.092674 ESP Fit Center 4435 is at 3.118911 2.923842 -2.092674 ESP Fit Center 4436 is at 4.959727 0.661175 -2.092674 ESP Fit Center 4437 is at 5.127662 1.047800 -2.092674 ESP Fit Center 4438 is at 4.836630 1.465396 -2.320314 ESP Fit Center 4439 is at 4.764298 1.875610 -2.320314 ESP Fit Center 4440 is at 4.556027 2.236347 -2.320314 ESP Fit Center 4441 is at 4.236937 2.504096 -2.320314 ESP Fit Center 4442 is at 3.845514 2.646562 -2.320314 ESP Fit Center 4443 is at 3.428971 2.646562 -2.320314 ESP Fit Center 4444 is at 3.037549 2.504096 -2.320314 ESP Fit Center 4445 is at 4.556027 0.694444 -2.320314 ESP Fit Center 4446 is at 4.764298 1.055181 -2.320314 ESP Fit Center 4447 is at 4.455485 1.465396 -2.487499 ESP Fit Center 4448 is at 4.345862 1.874517 -2.487499 ESP Fit Center 4449 is at 4.046364 2.174015 -2.487499 ESP Fit Center 4450 is at 3.637243 2.283638 -2.487499 ESP Fit Center 4451 is at 3.228121 2.174015 -2.487499 ESP Fit Center 4452 is at 3.637243 0.647153 -2.487499 ESP Fit Center 4453 is at 4.046364 0.756777 -2.487499 ESP Fit Center 4454 is at 4.345862 1.056274 -2.487499 ESP Fit Center 4455 is at 4.052021 1.465396 -2.589670 ESP Fit Center 4456 is at 3.844632 1.824604 -2.589670 ESP Fit Center 4457 is at 3.429854 1.824604 -2.589670 ESP Fit Center 4458 is at 3.429854 1.106187 -2.589670 ESP Fit Center 4459 is at 3.844632 1.106187 -2.589670 ESP Fit Center 4460 is at 3.637243 1.465396 -2.624040 ESP Fit Center 4461 is at 2.260796 0.215970 2.517250 ESP Fit Center 4462 is at 1.838423 0.215970 2.517250 ESP Fit Center 4463 is at 1.627237 -0.149816 2.517250 ESP Fit Center 4464 is at 0.927417 0.972377 -2.333854 ESP Fit Center 4465 is at 1.436723 0.911736 -2.555226 ESP Fit Center 4466 is at 1.110612 0.638096 -2.555226 ESP Fit Center 4467 is at 2.772174 0.267357 -2.717361 ESP Fit Center 4468 is at 2.466783 0.572749 -2.717361 ESP Fit Center 4469 is at 2.049610 0.684530 -2.717361 ESP Fit Center 4470 is at 1.632437 0.572749 -2.717361 ESP Fit Center 4471 is at 1.327045 0.267357 -2.717361 ESP Fit Center 4472 is at 1.215264 -0.149816 -2.717361 ESP Fit Center 4473 is at 2.471983 -0.149816 -2.816267 ESP Fit Center 4474 is at 2.260796 0.215970 -2.816267 ESP Fit Center 4475 is at 1.838423 0.215970 -2.816267 ESP Fit Center 4476 is at 1.627237 -0.149816 -2.816267 ESP Fit Center 4477 is at 2.049610 -0.149816 -2.849508 ESP Fit Center 4478 is at 0.709342 -0.475645 2.667403 ESP Fit Center 4479 is at 1.131715 -0.475645 2.634161 ESP Fit Center 4480 is at 0.920529 -0.109859 2.634161 ESP Fit Center 4481 is at 0.498156 -0.841431 2.634161 ESP Fit Center 4482 is at 0.920529 -0.841431 2.634161 ESP Fit Center 4483 is at 1.543688 -0.475645 2.535255 ESP Fit Center 4484 is at 1.431907 -0.058472 2.535255 ESP Fit Center 4485 is at 1.126515 0.246920 2.535255 ESP Fit Center 4486 is at 0.292169 -1.198210 2.535255 ESP Fit Center 4487 is at 0.709342 -1.309991 2.535255 ESP Fit Center 4488 is at 0.496489 -1.682797 2.373121 ESP Fit Center 4489 is at 0.298591 -2.008589 2.151749 ESP Fit Center 4490 is at 0.284508 -2.336966 1.876591 ESP Fit Center 4491 is at -0.412850 -1.597838 -2.216943 ESP Fit Center 4492 is at -0.084168 -1.850045 -2.216943 ESP Fit Center 4493 is at 0.496489 0.731507 -2.438315 ESP Fit Center 4494 is at -0.229655 -1.263557 -2.438315 ESP Fit Center 4495 is at 0.096455 -1.537197 -2.438315 ESP Fit Center 4496 is at 0.709342 0.358701 -2.600450 ESP Fit Center 4497 is at 0.292169 0.246920 -2.600450 ESP Fit Center 4498 is at -0.013222 -0.058472 -2.600450 ESP Fit Center 4499 is at -0.125003 -0.475645 -2.600450 ESP Fit Center 4500 is at -0.013222 -0.892818 -2.600450 ESP Fit Center 4501 is at 0.292169 -1.198210 -2.600450 ESP Fit Center 4502 is at 1.131715 -0.475645 -2.699356 ESP Fit Center 4503 is at 0.920529 -0.109859 -2.699356 ESP Fit Center 4504 is at 0.498156 -0.109859 -2.699356 ESP Fit Center 4505 is at 0.286969 -0.475645 -2.699356 ESP Fit Center 4506 is at 0.498156 -0.841431 -2.699356 ESP Fit Center 4507 is at 0.920529 -0.841431 -2.699356 ESP Fit Center 4508 is at 0.709342 -0.475645 -2.732597 ESP Fit Center 4509 is at -0.266661 0.411243 2.859116 ESP Fit Center 4510 is at 0.155712 0.411243 2.825875 ESP Fit Center 4511 is at -0.055475 0.777029 2.825875 ESP Fit Center 4512 is at -0.477848 0.777029 2.825875 ESP Fit Center 4513 is at -0.689034 0.411243 2.825875 ESP Fit Center 4514 is at -0.477848 0.045457 2.825875 ESP Fit Center 4515 is at -0.055475 0.045457 2.825875 ESP Fit Center 4516 is at 0.567685 0.411243 2.726969 ESP Fit Center 4517 is at 0.150512 -0.311322 2.726969 ESP Fit Center 4518 is at 0.455904 -0.005930 2.726969 ESP Fit Center 4519 is at 0.959113 0.411243 2.564834 ESP Fit Center 4520 is at 0.455904 0.828416 -2.408737 ESP Fit Center 4521 is at 0.150512 1.133808 -2.408737 ESP Fit Center 4522 is at -0.055475 0.777029 -2.507642 ESP Fit Center 4523 is at 5.650829 -0.306636 0.417292 ESP Fit Center 4524 is at 5.898845 -0.720816 0.043856 ESP Fit Center 4525 is at 5.855237 -0.305911 0.043856 ESP Fit Center 4526 is at 6.021761 -0.720816 -0.361345 ESP Fit Center 4527 is at 5.981055 -0.307518 -0.361345 ESP Fit Center 4528 is at 5.860500 0.089898 -0.361345 ESP Fit Center 4529 is at 5.860500 -1.531529 -0.361345 ESP Fit Center 4530 is at 5.981055 -1.134114 -0.361345 ESP Fit Center 4531 is at 6.063265 -0.720816 -0.782740 ESP Fit Center 4532 is at 6.024231 -0.312033 -0.782740 ESP Fit Center 4533 is at 5.908540 0.081975 -0.782740 ESP Fit Center 4534 is at 5.720373 -1.888600 -0.782740 ESP Fit Center 4535 is at 5.908540 -1.523607 -0.782740 ESP Fit Center 4536 is at 6.024231 -1.129598 -0.782740 ESP Fit Center 4537 is at 6.021761 -0.720816 -1.204135 ESP Fit Center 4538 is at 5.981055 -0.307518 -1.204135 ESP Fit Center 4539 is at 5.860500 0.089898 -1.204135 ESP Fit Center 4540 is at 5.401268 -2.218819 -1.204135 ESP Fit Center 4541 is at 5.664730 -1.897789 -1.204135 ESP Fit Center 4542 is at 5.860500 -1.531529 -1.204135 ESP Fit Center 4543 is at 5.981055 -1.134114 -1.204135 ESP Fit Center 4544 is at 5.898845 -0.720816 -1.609336 ESP Fit Center 4545 is at 5.855237 -0.305911 -1.609336 ESP Fit Center 4546 is at 5.726318 0.090860 -1.609336 ESP Fit Center 4547 is at 5.517723 0.452157 -1.609336 ESP Fit Center 4548 is at 5.238569 -2.203821 -1.609336 ESP Fit Center 4549 is at 5.517723 -1.893788 -1.609336 ESP Fit Center 4550 is at 5.726318 -1.532491 -1.609336 ESP Fit Center 4551 is at 5.855237 -1.135720 -1.609336 ESP Fit Center 4552 is at 5.699240 -0.720816 -1.982772 ESP Fit Center 4553 is at 5.650829 -0.306636 -1.982772 ESP Fit Center 4554 is at 5.508206 0.085216 -1.982772 ESP Fit Center 4555 is at 5.279061 0.433614 -1.982772 ESP Fit Center 4556 is at 5.279061 -1.875246 -1.982772 ESP Fit Center 4557 is at 5.508206 -1.526848 -1.982772 ESP Fit Center 4558 is at 5.650829 -1.134996 -1.982772 ESP Fit Center 4559 is at 5.430616 -0.720816 -2.310091 ESP Fit Center 4560 is at 5.373977 -0.308741 -2.310091 ESP Fit Center 4561 is at 5.208263 0.072771 -2.310091 ESP Fit Center 4562 is at 4.945763 0.395427 -2.310091 ESP Fit Center 4563 is at 4.605946 0.635296 -2.310091 ESP Fit Center 4564 is at 4.945763 -1.837059 -2.310091 ESP Fit Center 4565 is at 5.208263 -1.514403 -2.310091 ESP Fit Center 4566 is at 5.373977 -1.132890 -2.310091 ESP Fit Center 4567 is at 5.103297 -0.720816 -2.578714 ESP Fit Center 4568 is at 5.030926 -0.310381 -2.578714 ESP Fit Center 4569 is at 4.822543 0.050550 -2.578714 ESP Fit Center 4570 is at 4.503281 0.318442 -2.578714 ESP Fit Center 4571 is at 4.111648 0.460985 -2.578714 ESP Fit Center 4572 is at 3.694882 0.460985 -2.578714 ESP Fit Center 4573 is at 3.303249 0.318442 -2.578714 ESP Fit Center 4574 is at 4.822543 -1.492181 -2.578714 ESP Fit Center 4575 is at 5.030926 -1.131251 -2.578714 ESP Fit Center 4576 is at 4.729861 -0.720816 -2.778320 ESP Fit Center 4577 is at 4.619118 -0.307518 -2.778320 ESP Fit Center 4578 is at 4.316563 -0.004962 -2.778320 ESP Fit Center 4579 is at 3.903265 0.105780 -2.778320 ESP Fit Center 4580 is at 3.489967 -0.004962 -2.778320 ESP Fit Center 4581 is at 4.316563 -1.436669 -2.778320 ESP Fit Center 4582 is at 4.619118 -1.134114 -2.778320 ESP Fit Center 4583 is at 4.324660 -0.720816 -2.901236 ESP Fit Center 4584 is at 4.113963 -0.355877 -2.901236 ESP Fit Center 4585 is at 3.692568 -0.355877 -2.901236 ESP Fit Center 4586 is at 4.113963 -1.085755 -2.901236 ESP Fit Center 4587 is at 3.903265 -0.720816 -2.942740 ESP Fit Center 4588 is at 3.882741 -1.049265 3.821151 ESP Fit Center 4589 is at 4.304136 -1.049265 3.779647 ESP Fit Center 4590 is at 4.093438 -0.684326 3.779647 ESP Fit Center 4591 is at 3.672043 -0.684326 3.779647 ESP Fit Center 4592 is at 3.461346 -1.049265 3.779647 ESP Fit Center 4593 is at 3.672043 -1.414204 3.779647 ESP Fit Center 4594 is at 4.093438 -1.414204 3.779647 ESP Fit Center 4595 is at 4.709337 -1.049265 3.656731 ESP Fit Center 4596 is at 4.598594 -0.635967 3.656731 ESP Fit Center 4597 is at 4.296039 -0.333411 3.656731 ESP Fit Center 4598 is at 3.882741 -0.222669 3.656731 ESP Fit Center 4599 is at 3.469443 -0.333411 3.656731 ESP Fit Center 4600 is at 3.166887 -0.635967 3.656731 ESP Fit Center 4601 is at 3.056144 -1.049265 3.656731 ESP Fit Center 4602 is at 4.296039 -1.765118 3.656731 ESP Fit Center 4603 is at 4.598594 -1.462563 3.656731 ESP Fit Center 4604 is at 5.082772 -1.049265 3.457125 ESP Fit Center 4605 is at 5.010402 -0.638830 3.457125 ESP Fit Center 4606 is at 4.802018 -0.277899 3.457125 ESP Fit Center 4607 is at 4.482756 -0.010007 3.457125 ESP Fit Center 4608 is at 4.091124 0.132536 3.457125 ESP Fit Center 4609 is at 3.674357 0.132536 3.457125 ESP Fit Center 4610 is at 3.282725 -0.010007 3.457125 ESP Fit Center 4611 is at 2.963463 -0.277899 3.457125 ESP Fit Center 4612 is at 2.755080 -0.638830 3.457125 ESP Fit Center 4613 is at 4.802018 -1.820630 3.457125 ESP Fit Center 4614 is at 5.010402 -1.459700 3.457125 ESP Fit Center 4615 is at 5.410091 -1.049265 3.188502 ESP Fit Center 4616 is at 5.353453 -0.637191 3.188502 ESP Fit Center 4617 is at 5.187739 -0.255678 3.188502 ESP Fit Center 4618 is at 4.925239 0.066978 3.188502 ESP Fit Center 4619 is at 4.585421 0.306847 3.188502 ESP Fit Center 4620 is at 4.193489 0.446140 3.188502 ESP Fit Center 4621 is at 3.778511 0.474525 3.188502 ESP Fit Center 4622 is at 3.371262 0.389898 3.188502 ESP Fit Center 4623 is at 3.001948 0.198535 3.188502 ESP Fit Center 4624 is at 2.697957 -0.085372 3.188502 ESP Fit Center 4625 is at 2.481837 -0.440767 3.188502 ESP Fit Center 4626 is at 5.187739 -1.842852 3.188502 ESP Fit Center 4627 is at 5.353453 -1.461339 3.188502 ESP Fit Center 4628 is at 5.678715 -1.049265 2.861183 ESP Fit Center 4629 is at 5.630304 -0.635085 2.861183 ESP Fit Center 4630 is at 5.487682 -0.243233 2.861183 ESP Fit Center 4631 is at 5.258537 0.105165 2.861183 ESP Fit Center 4632 is at 4.955222 0.391328 2.861183 ESP Fit Center 4633 is at 4.594090 0.599828 2.861183 ESP Fit Center 4634 is at 4.194608 0.719425 2.861183 ESP Fit Center 4635 is at 3.778314 0.743671 2.861183 ESP Fit Center 4636 is at 3.367649 0.671260 2.861183 ESP Fit Center 4637 is at 2.984753 0.506095 2.861183 ESP Fit Center 4638 is at 2.650268 0.257080 2.861183 ESP Fit Center 4639 is at 2.382226 -0.062361 2.861183 ESP Fit Center 4640 is at 5.487682 -1.855297 2.861183 ESP Fit Center 4641 is at 5.630304 -1.463445 2.861183 ESP Fit Center 4642 is at 5.878320 -1.049265 2.487747 ESP Fit Center 4643 is at 5.834712 -0.634360 2.487747 ESP Fit Center 4644 is at 5.705793 -0.237589 2.487747 ESP Fit Center 4645 is at 5.497199 0.123708 2.487747 ESP Fit Center 4646 is at 5.218044 0.433740 2.487747 ESP Fit Center 4647 is at 4.880531 0.678958 2.487747 ESP Fit Center 4648 is at 4.499409 0.848644 2.487747 ESP Fit Center 4649 is at 4.091336 0.935383 2.487747 ESP Fit Center 4650 is at 3.674146 0.935383 2.487747 ESP Fit Center 4651 is at 5.834712 -1.464169 2.487747 ESP Fit Center 4652 is at 6.001237 -1.049265 2.082546 ESP Fit Center 4653 is at 5.960531 -0.635967 2.082546 ESP Fit Center 4654 is at 5.839976 -0.238551 2.082546 ESP Fit Center 4655 is at 5.644206 0.127709 2.082546 ESP Fit Center 4656 is at 5.380744 0.448738 2.082546 ESP Fit Center 4657 is at 5.059714 0.712200 2.082546 ESP Fit Center 4658 is at 5.960531 -1.462563 2.082546 ESP Fit Center 4659 is at 6.042741 -1.049265 1.661151 ESP Fit Center 4660 is at 6.003707 -0.640482 1.661151 ESP Fit Center 4661 is at 5.888015 -0.246474 1.661151 ESP Fit Center 4662 is at 5.699848 0.118519 1.661151 ESP Fit Center 4663 is at 5.446006 0.441306 1.661151 ESP Fit Center 4664 is at 5.960531 -0.635967 1.239756 ESP Fit Center 4665 is at 5.839976 -0.238551 1.239756 ESP Fit Center 4666 is at 5.644206 0.127709 1.239756 ESP Fit Center 4667 is at 5.705793 -0.237589 0.834555 ESP Fit Center 4668 is at 4.419479 -3.759629 2.657780 ESP Fit Center 4669 is at 4.811112 -3.617087 2.657780 ESP Fit Center 4670 is at 5.130373 -3.349194 2.657780 ESP Fit Center 4671 is at 5.338757 -2.988264 2.657780 ESP Fit Center 4672 is at 5.738446 -2.577829 2.389156 ESP Fit Center 4673 is at 4.106866 -4.101619 2.389156 ESP Fit Center 4674 is at 4.521845 -4.073233 2.389156 ESP Fit Center 4675 is at 4.913776 -3.933941 2.389156 ESP Fit Center 4676 is at 5.253594 -3.694072 2.389156 ESP Fit Center 4677 is at 5.516094 -3.371416 2.389156 ESP Fit Center 4678 is at 5.681808 -2.989903 2.389156 ESP Fit Center 4679 is at 6.007070 -2.577829 2.061837 ESP Fit Center 4680 is at 5.958659 -2.163649 2.061837 ESP Fit Center 4681 is at 3.696005 -4.298353 2.061837 ESP Fit Center 4682 is at 4.106669 -4.370765 2.061837 ESP Fit Center 4683 is at 4.522964 -4.346518 2.061837 ESP Fit Center 4684 is at 4.922445 -4.226921 2.061837 ESP Fit Center 4685 is at 5.283577 -4.018421 2.061837 ESP Fit Center 4686 is at 5.586892 -3.732259 2.061837 ESP Fit Center 4687 is at 5.816037 -3.383861 2.061837 ESP Fit Center 4688 is at 5.958659 -2.992009 2.061837 ESP Fit Center 4689 is at 6.206676 -2.577829 1.688402 ESP Fit Center 4690 is at 6.163067 -2.162924 1.688402 ESP Fit Center 4691 is at 3.594428 -4.475738 1.688402 ESP Fit Center 4692 is at 4.002501 -4.562477 1.688402 ESP Fit Center 4693 is at 4.419691 -4.562477 1.688402 ESP Fit Center 4694 is at 4.827764 -4.475738 1.688402 ESP Fit Center 4695 is at 5.208886 -4.306052 1.688402 ESP Fit Center 4696 is at 5.546399 -4.060834 1.688402 ESP Fit Center 4697 is at 5.825554 -3.750801 1.688402 ESP Fit Center 4698 is at 6.034149 -3.389504 1.688402 ESP Fit Center 4699 is at 6.163067 -2.992733 1.688402 ESP Fit Center 4700 is at 6.329592 -2.577829 1.283201 ESP Fit Center 4701 is at 6.288886 -2.164531 1.283201 ESP Fit Center 4702 is at 6.168331 -1.767115 1.283201 ESP Fit Center 4703 is at 3.400382 -4.535064 1.283201 ESP Fit Center 4704 is at 3.797798 -4.655619 1.283201 ESP Fit Center 4705 is at 4.211096 -4.696325 1.283201 ESP Fit Center 4706 is at 4.624394 -4.655619 1.283201 ESP Fit Center 4707 is at 5.021809 -4.535064 1.283201 ESP Fit Center 4708 is at 5.388069 -4.339294 1.283201 ESP Fit Center 4709 is at 5.709099 -4.075832 1.283201 ESP Fit Center 4710 is at 5.972561 -3.754802 1.283201 ESP Fit Center 4711 is at 6.168331 -3.388542 1.283201 ESP Fit Center 4712 is at 6.288886 -2.991127 1.283201 ESP Fit Center 4713 is at 6.371096 -2.577829 0.861806 ESP Fit Center 4714 is at 6.332062 -2.169046 0.861806 ESP Fit Center 4715 is at 6.216371 -1.775038 0.861806 ESP Fit Center 4716 is at 3.504629 -4.619031 0.861806 ESP Fit Center 4717 is at 3.903696 -4.715843 0.861806 ESP Fit Center 4718 is at 4.313873 -4.735382 0.861806 ESP Fit Center 4719 is at 4.720335 -4.676942 0.861806 ESP Fit Center 4720 is at 5.108392 -4.542634 0.861806 ESP Fit Center 4721 is at 5.464019 -4.337313 0.861806 ESP Fit Center 4722 is at 5.774361 -4.068399 0.861806 ESP Fit Center 4723 is at 6.028203 -3.745613 0.861806 ESP Fit Center 4724 is at 6.216371 -3.380620 0.861806 ESP Fit Center 4725 is at 6.332062 -2.986611 0.861806 ESP Fit Center 4726 is at 6.329592 -2.577829 0.440410 ESP Fit Center 4727 is at 6.288886 -2.164531 0.440410 ESP Fit Center 4728 is at 6.168331 -1.767115 0.440410 ESP Fit Center 4729 is at 3.400382 -4.535064 0.440410 ESP Fit Center 4730 is at 3.797798 -4.655619 0.440410 ESP Fit Center 4731 is at 4.211096 -4.696325 0.440410 ESP Fit Center 4732 is at 4.624394 -4.655619 0.440410 ESP Fit Center 4733 is at 5.021809 -4.535064 0.440410 ESP Fit Center 4734 is at 5.388069 -4.339294 0.440410 ESP Fit Center 4735 is at 5.709099 -4.075832 0.440410 ESP Fit Center 4736 is at 5.972561 -3.754802 0.440410 ESP Fit Center 4737 is at 6.168331 -3.388542 0.440410 ESP Fit Center 4738 is at 6.288886 -2.991127 0.440410 ESP Fit Center 4739 is at 6.206676 -2.577829 0.035209 ESP Fit Center 4740 is at 6.163067 -2.162924 0.035209 ESP Fit Center 4741 is at 6.034149 -1.766153 0.035209 ESP Fit Center 4742 is at 3.594428 -4.475738 0.035209 ESP Fit Center 4743 is at 4.002501 -4.562477 0.035209 ESP Fit Center 4744 is at 4.419691 -4.562477 0.035209 ESP Fit Center 4745 is at 4.827764 -4.475738 0.035209 ESP Fit Center 4746 is at 5.208886 -4.306052 0.035209 ESP Fit Center 4747 is at 5.546399 -4.060834 0.035209 ESP Fit Center 4748 is at 5.825554 -3.750801 0.035209 ESP Fit Center 4749 is at 6.034149 -3.389504 0.035209 ESP Fit Center 4750 is at 6.163067 -2.992733 0.035209 ESP Fit Center 4751 is at 6.007070 -2.577829 -0.338226 ESP Fit Center 4752 is at 5.958659 -2.163649 -0.338226 ESP Fit Center 4753 is at 5.816037 -1.771797 -0.338226 ESP Fit Center 4754 is at 4.522964 -4.346518 -0.338226 ESP Fit Center 4755 is at 4.922445 -4.226921 -0.338226 ESP Fit Center 4756 is at 5.283577 -4.018421 -0.338226 ESP Fit Center 4757 is at 5.586892 -3.732259 -0.338226 ESP Fit Center 4758 is at 5.816037 -3.383861 -0.338226 ESP Fit Center 4759 is at 5.958659 -2.992009 -0.338226 ESP Fit Center 4760 is at 5.738446 -2.577829 -0.665545 ESP Fit Center 4761 is at 5.681808 -2.165754 -0.665545 ESP Fit Center 4762 is at 4.913776 -3.933941 -0.665545 ESP Fit Center 4763 is at 5.253594 -3.694072 -0.665545 ESP Fit Center 4764 is at 5.516094 -3.371416 -0.665545 ESP Fit Center 4765 is at 5.681808 -2.989903 -0.665545 ESP Fit Center 4766 is at 5.411128 -2.577829 -0.934169 ESP Fit Center 4767 is at 5.338757 -2.988264 -0.934169 ESP Fit Center 4768 is at 2.190367 3.726498 2.196990 ESP Fit Center 4769 is at 1.777069 3.837241 2.196990 ESP Fit Center 4770 is at 2.904730 3.421080 1.997384 ESP Fit Center 4771 is at 2.696346 3.782011 1.997384 ESP Fit Center 4772 is at 2.377085 4.049903 1.997384 ESP Fit Center 4773 is at 1.985452 4.192446 1.997384 ESP Fit Center 4774 is at 1.568686 4.192446 1.997384 ESP Fit Center 4775 is at 1.177053 4.049903 1.997384 ESP Fit Center 4776 is at 3.247781 3.422719 1.728761 ESP Fit Center 4777 is at 3.082067 3.804232 1.728761 ESP Fit Center 4778 is at 2.819567 4.126888 1.728761 ESP Fit Center 4779 is at 2.479750 4.366757 1.728761 ESP Fit Center 4780 is at 2.087818 4.506050 1.728761 ESP Fit Center 4781 is at 1.672839 4.534435 1.728761 ESP Fit Center 4782 is at 1.265590 4.449808 1.728761 ESP Fit Center 4783 is at 3.382010 3.816677 1.401442 ESP Fit Center 4784 is at 3.152865 4.165075 1.401442 ESP Fit Center 4785 is at 2.849550 4.451238 1.401442 ESP Fit Center 4786 is at 2.488418 4.659738 1.401442 ESP Fit Center 4787 is at 2.088937 4.779335 1.401442 ESP Fit Center 4788 is at 1.672642 4.803581 1.401442 ESP Fit Center 4789 is at 1.261978 4.731170 1.401442 ESP Fit Center 4790 is at 0.879082 4.566005 1.401442 ESP Fit Center 4791 is at 3.600122 3.822321 1.028006 ESP Fit Center 4792 is at 3.391527 4.183618 1.028006 ESP Fit Center 4793 is at 3.112372 4.493650 1.028006 ESP Fit Center 4794 is at 2.774859 4.738868 1.028006 ESP Fit Center 4795 is at 2.393737 4.908554 1.028006 ESP Fit Center 4796 is at 1.985664 4.995293 1.028006 ESP Fit Center 4797 is at 1.568474 4.995293 1.028006 ESP Fit Center 4798 is at 1.160401 4.908554 1.028006 ESP Fit Center 4799 is at 3.538534 4.187619 0.622805 ESP Fit Center 4800 is at 3.275072 4.508648 0.622805 ESP Fit Center 4801 is at 2.954042 4.772110 0.622805 ESP Fit Center 4802 is at 2.587782 4.967880 0.622805 ESP Fit Center 4803 is at 2.190367 5.088435 0.622805 ESP Fit Center 4804 is at 1.777069 5.129141 0.622805 ESP Fit Center 4805 is at 1.363771 5.088435 0.622805 ESP Fit Center 4806 is at 0.966355 4.967880 0.622805 ESP Fit Center 4807 is at 3.594177 4.178429 0.201410 ESP Fit Center 4808 is at 3.340334 4.501216 0.201410 ESP Fit Center 4809 is at 3.029992 4.770129 0.201410 ESP Fit Center 4810 is at 2.674365 4.975450 0.201410 ESP Fit Center 4811 is at 2.286308 5.109758 0.201410 ESP Fit Center 4812 is at 1.879846 5.168199 0.201410 ESP Fit Center 4813 is at 1.469669 5.148659 0.201410 ESP Fit Center 4814 is at 1.070602 5.051847 0.201410 ESP Fit Center 4815 is at 0.697069 4.881260 0.201410 ESP Fit Center 4816 is at 3.538534 4.187619 -0.219985 ESP Fit Center 4817 is at 3.275072 4.508648 -0.219985 ESP Fit Center 4818 is at 2.954042 4.772110 -0.219985 ESP Fit Center 4819 is at 2.587782 4.967880 -0.219985 ESP Fit Center 4820 is at 2.190367 5.088435 -0.219985 ESP Fit Center 4821 is at 1.777069 5.129141 -0.219985 ESP Fit Center 4822 is at 1.363771 5.088435 -0.219985 ESP Fit Center 4823 is at 0.966355 4.967880 -0.219985 ESP Fit Center 4824 is at 3.391527 4.183618 -0.625186 ESP Fit Center 4825 is at 3.112372 4.493650 -0.625186 ESP Fit Center 4826 is at 2.774859 4.738868 -0.625186 ESP Fit Center 4827 is at 2.393737 4.908554 -0.625186 ESP Fit Center 4828 is at 1.985664 4.995293 -0.625186 ESP Fit Center 4829 is at 1.568474 4.995293 -0.625186 ESP Fit Center 4830 is at 1.160401 4.908554 -0.625186 ESP Fit Center 4831 is at 0.779279 4.738868 -0.625186 ESP Fit Center 4832 is at 3.382010 3.816677 -0.998622 ESP Fit Center 4833 is at 3.152865 4.165075 -0.998622 ESP Fit Center 4834 is at 2.849550 4.451238 -0.998622 ESP Fit Center 4835 is at 2.488418 4.659738 -0.998622 ESP Fit Center 4836 is at 2.088937 4.779335 -0.998622 ESP Fit Center 4837 is at 1.672642 4.803581 -0.998622 ESP Fit Center 4838 is at 1.261978 4.731170 -0.998622 ESP Fit Center 4839 is at 0.879082 4.566005 -0.998622 ESP Fit Center 4840 is at 3.082067 3.804232 -1.325941 ESP Fit Center 4841 is at 2.819567 4.126888 -1.325941 ESP Fit Center 4842 is at 2.479750 4.366757 -1.325941 ESP Fit Center 4843 is at 2.087818 4.506050 -1.325941 ESP Fit Center 4844 is at 1.672839 4.534435 -1.325941 ESP Fit Center 4845 is at 1.265590 4.449808 -1.325941 ESP Fit Center 4846 is at 0.896276 4.258445 -1.325941 ESP Fit Center 4847 is at 2.696346 3.782011 -1.594564 ESP Fit Center 4848 is at 2.377085 4.049903 -1.594564 ESP Fit Center 4849 is at 1.985452 4.192446 -1.594564 ESP Fit Center 4850 is at 1.568686 4.192446 -1.594564 ESP Fit Center 4851 is at 0.312424 -2.704013 1.666859 ESP Fit Center 4852 is at 0.416577 -3.046003 1.398235 ESP Fit Center 4853 is at 0.416381 -3.315149 1.070916 ESP Fit Center 4854 is at 0.312213 -3.506861 0.697481 ESP Fit Center 4855 is at 0.729402 -3.506861 0.697481 ESP Fit Center 4856 is at 0.107509 -3.600003 0.292280 ESP Fit Center 4857 is at 0.520807 -3.640709 0.292280 ESP Fit Center 4858 is at 0.934106 -3.600003 0.292280 ESP Fit Center 4859 is at 0.213407 -3.660227 -0.129115 ESP Fit Center 4860 is at 0.623584 -3.679766 -0.129115 ESP Fit Center 4861 is at 0.107509 -3.600003 -0.550510 ESP Fit Center 4862 is at 0.520807 -3.640709 -0.550510 ESP Fit Center 4863 is at -0.095861 -3.420122 -0.955711 ESP Fit Center 4864 is at 0.312213 -3.506861 -0.955711 ESP Fit Center 4865 is at -0.377180 -3.077572 -1.329147 ESP Fit Center 4866 is at 0.005716 -3.242737 -1.329147 ESP Fit Center 4867 is at -0.359986 -2.770012 -1.656466 ESP Fit Center 4868 is at 0.009329 -2.961376 -1.656466 ESP Fit Center 4869 is at -0.606854 -1.932648 -1.925090 ESP Fit Center 4870 is at -0.398470 -2.293578 -1.925090 ESP Fit Center 4871 is at -0.079208 -2.561471 -1.925090 ESP Fit Center 4872 is at -0.195046 -1.935511 -2.124695 ESP Fit Center 4873 is at 0.107509 -2.238066 -2.124695 ESP Fit Center 4874 is at 2.603672 -2.258576 3.664923 ESP Fit Center 4875 is at 2.392975 -1.893637 3.623420 ESP Fit Center 4876 is at 2.182277 -2.258576 3.623420 ESP Fit Center 4877 is at 2.392975 -2.623515 3.623420 ESP Fit Center 4878 is at 2.814370 -2.623515 3.623420 ESP Fit Center 4879 is at 2.190374 -1.542723 3.500503 ESP Fit Center 4880 is at 1.887819 -1.845278 3.500503 ESP Fit Center 4881 is at 1.777076 -2.258576 3.500503 ESP Fit Center 4882 is at 1.887819 -2.671874 3.500503 ESP Fit Center 4883 is at 2.190374 -2.974429 3.500503 ESP Fit Center 4884 is at 2.603672 -3.085172 3.500503 ESP Fit Center 4885 is at 3.016971 -2.974429 3.500503 ESP Fit Center 4886 is at 2.003657 -1.219318 3.300898 ESP Fit Center 4887 is at 1.684395 -1.487210 3.300898 ESP Fit Center 4888 is at 1.476012 -1.848141 3.300898 ESP Fit Center 4889 is at 1.403641 -2.258576 3.300898 ESP Fit Center 4890 is at 1.476012 -2.669011 3.300898 ESP Fit Center 4891 is at 1.684395 -3.029941 3.300898 ESP Fit Center 4892 is at 2.003657 -3.297834 3.300898 ESP Fit Center 4893 is at 2.395289 -3.440377 3.300898 ESP Fit Center 4894 is at 2.812056 -3.440377 3.300898 ESP Fit Center 4895 is at 3.203688 -3.297834 3.300898 ESP Fit Center 4896 is at 1.722879 -1.010776 3.032274 ESP Fit Center 4897 is at 1.418889 -1.294683 3.032274 ESP Fit Center 4898 is at 1.202769 -1.650078 3.032274 ESP Fit Center 4899 is at 1.090548 -2.050602 3.032274 ESP Fit Center 4900 is at 1.090548 -2.466550 3.032274 ESP Fit Center 4901 is at 1.202769 -2.867074 3.032274 ESP Fit Center 4902 is at 1.418889 -3.222469 3.032274 ESP Fit Center 4903 is at 1.722879 -3.506375 3.032274 ESP Fit Center 4904 is at 2.092194 -3.697739 3.032274 ESP Fit Center 4905 is at 2.499442 -3.782366 3.032274 ESP Fit Center 4906 is at 2.914421 -3.753981 3.032274 ESP Fit Center 4907 is at 3.306353 -3.614688 3.032274 ESP Fit Center 4908 is at 1.371200 -0.952232 2.704955 ESP Fit Center 4909 is at 1.103158 -1.271672 2.704955 ESP Fit Center 4910 is at 0.916009 -1.644317 2.704955 ESP Fit Center 4911 is at 0.819842 -2.050076 2.704955 ESP Fit Center 4912 is at 0.819842 -2.467076 2.704955 ESP Fit Center 4913 is at 0.916009 -2.872835 2.704955 ESP Fit Center 4914 is at 1.103158 -3.245480 2.704955 ESP Fit Center 4915 is at 1.371200 -3.564920 2.704955 ESP Fit Center 4916 is at 1.705685 -3.813935 2.704955 ESP Fit Center 4917 is at 2.088581 -3.979101 2.704955 ESP Fit Center 4918 is at 2.499246 -4.051512 2.704955 ESP Fit Center 4919 is at 2.915540 -4.027265 2.704955 ESP Fit Center 4920 is at 0.651701 -1.843672 2.331520 ESP Fit Center 4921 is at 0.608093 -2.258576 2.331520 ESP Fit Center 4922 is at 0.651701 -2.673480 2.331520 ESP Fit Center 4923 is at 0.780620 -3.070251 2.331520 ESP Fit Center 4924 is at 0.989214 -3.431548 2.331520 ESP Fit Center 4925 is at 1.268369 -3.741581 2.331520 ESP Fit Center 4926 is at 1.605883 -3.986799 2.331520 ESP Fit Center 4927 is at 1.987004 -4.156485 2.331520 ESP Fit Center 4928 is at 2.395078 -4.243224 2.331520 ESP Fit Center 4929 is at 2.812267 -4.243224 2.331520 ESP Fit Center 4930 is at 3.220341 -4.156485 2.331520 ESP Fit Center 4931 is at 0.525883 -2.671874 1.926318 ESP Fit Center 4932 is at 0.646437 -3.069289 1.926318 ESP Fit Center 4933 is at 0.842207 -3.435549 1.926318 ESP Fit Center 4934 is at 1.105669 -3.756579 1.926318 ESP Fit Center 4935 is at 1.426699 -4.020041 1.926318 ESP Fit Center 4936 is at 1.792959 -4.215811 1.926318 ESP Fit Center 4937 is at 2.190374 -4.336366 1.926318 ESP Fit Center 4938 is at 2.603672 -4.377072 1.926318 ESP Fit Center 4939 is at 3.016971 -4.336366 1.926318 ESP Fit Center 4940 is at 0.683788 -3.248345 1.504923 ESP Fit Center 4941 is at 0.905798 -3.593799 1.504923 ESP Fit Center 4942 is at 1.189173 -3.890995 1.504923 ESP Fit Center 4943 is at 1.523672 -4.129191 1.504923 ESP Fit Center 4944 is at 1.897206 -4.299778 1.504923 ESP Fit Center 4945 is at 2.296272 -4.396590 1.504923 ESP Fit Center 4946 is at 2.706449 -4.416129 1.504923 ESP Fit Center 4947 is at 0.842207 -3.435549 1.083528 ESP Fit Center 4948 is at 1.105669 -3.756579 1.083528 ESP Fit Center 4949 is at 1.426699 -4.020041 1.083528 ESP Fit Center 4950 is at 1.792959 -4.215811 1.083528 ESP Fit Center 4951 is at 2.190374 -4.336366 1.083528 ESP Fit Center 4952 is at 2.603672 -4.377072 1.083528 ESP Fit Center 4953 is at 1.268369 -3.741581 0.678327 ESP Fit Center 4954 is at 1.605883 -3.986799 0.678327 ESP Fit Center 4955 is at 1.987004 -4.156485 0.678327 ESP Fit Center 4956 is at 3.015294 -4.349803 0.173593 ESP Fit Center 4957 is at 2.604433 -4.546538 -0.153726 ESP Fit Center 4958 is at 3.015098 -4.618949 -0.153726 ESP Fit Center 4959 is at 3.431392 -4.594703 -0.153726 ESP Fit Center 4960 is at 3.830873 -4.475106 -0.153726 ESP Fit Center 4961 is at 2.121734 -4.554236 -0.527161 ESP Fit Center 4962 is at 2.502856 -4.723922 -0.527161 ESP Fit Center 4963 is at 2.910929 -4.810661 -0.527161 ESP Fit Center 4964 is at 3.328119 -4.810661 -0.527161 ESP Fit Center 4965 is at 3.736192 -4.723922 -0.527161 ESP Fit Center 4966 is at 4.117314 -4.554236 -0.527161 ESP Fit Center 4967 is at 4.454828 -4.309018 -0.527161 ESP Fit Center 4968 is at 2.308811 -4.783248 -0.932362 ESP Fit Center 4969 is at 2.706226 -4.903803 -0.932362 ESP Fit Center 4970 is at 3.119524 -4.944509 -0.932362 ESP Fit Center 4971 is at 3.532822 -4.903803 -0.932362 ESP Fit Center 4972 is at 3.930238 -4.783248 -0.932362 ESP Fit Center 4973 is at 4.296498 -4.587478 -0.932362 ESP Fit Center 4974 is at 4.617527 -4.324016 -0.932362 ESP Fit Center 4975 is at 4.880989 -4.002987 -0.932362 ESP Fit Center 4976 is at 5.076759 -3.636726 -0.932362 ESP Fit Center 4977 is at 5.279524 -2.826013 -1.353757 ESP Fit Center 4978 is at 5.240490 -2.417230 -1.353757 ESP Fit Center 4979 is at 2.039524 -4.696628 -1.353757 ESP Fit Center 4980 is at 2.413057 -4.867215 -1.353757 ESP Fit Center 4981 is at 2.812124 -4.964027 -1.353757 ESP Fit Center 4982 is at 3.222301 -4.983567 -1.353757 ESP Fit Center 4983 is at 3.628763 -4.925126 -1.353757 ESP Fit Center 4984 is at 4.016821 -4.790818 -1.353757 ESP Fit Center 4985 is at 4.372447 -4.585497 -1.353757 ESP Fit Center 4986 is at 4.682790 -4.316584 -1.353757 ESP Fit Center 4987 is at 4.936632 -3.993797 -1.353757 ESP Fit Center 4988 is at 5.124799 -3.628804 -1.353757 ESP Fit Center 4989 is at 5.240490 -3.234796 -1.353757 ESP Fit Center 4990 is at 5.238020 -2.826013 -1.775152 ESP Fit Center 4991 is at 5.197314 -2.412715 -1.775152 ESP Fit Center 4992 is at 1.942551 -4.587478 -1.775152 ESP Fit Center 4993 is at 2.308811 -4.783248 -1.775152 ESP Fit Center 4994 is at 2.706226 -4.903803 -1.775152 ESP Fit Center 4995 is at 3.119524 -4.944509 -1.775152 ESP Fit Center 4996 is at 3.532822 -4.903803 -1.775152 ESP Fit Center 4997 is at 3.930238 -4.783248 -1.775152 ESP Fit Center 4998 is at 4.296498 -4.587478 -1.775152 ESP Fit Center 4999 is at 4.617527 -4.324016 -1.775152 ESP Fit Center 5000 is at 4.880989 -4.002987 -1.775152 ESP Fit Center 5001 is at 5.076759 -3.636726 -1.775152 ESP Fit Center 5002 is at 5.197314 -3.239311 -1.775152 ESP Fit Center 5003 is at 5.115104 -2.826013 -2.180354 ESP Fit Center 5004 is at 5.071496 -2.411109 -2.180354 ESP Fit Center 5005 is at 4.942577 -2.014338 -2.180354 ESP Fit Center 5006 is at 2.121734 -4.554236 -2.180354 ESP Fit Center 5007 is at 2.502856 -4.723922 -2.180354 ESP Fit Center 5008 is at 2.910929 -4.810661 -2.180354 ESP Fit Center 5009 is at 3.328119 -4.810661 -2.180354 ESP Fit Center 5010 is at 3.736192 -4.723922 -2.180354 ESP Fit Center 5011 is at 4.117314 -4.554236 -2.180354 ESP Fit Center 5012 is at 4.454828 -4.309018 -2.180354 ESP Fit Center 5013 is at 4.733982 -3.998985 -2.180354 ESP Fit Center 5014 is at 4.942577 -3.637689 -2.180354 ESP Fit Center 5015 is at 5.071496 -3.240917 -2.180354 ESP Fit Center 5016 is at 4.915498 -2.826013 -2.553789 ESP Fit Center 5017 is at 4.867088 -2.411833 -2.553789 ESP Fit Center 5018 is at 4.724465 -2.019981 -2.553789 ESP Fit Center 5019 is at 2.221537 -4.381373 -2.553789 ESP Fit Center 5020 is at 2.604433 -4.546538 -2.553789 ESP Fit Center 5021 is at 3.015098 -4.618949 -2.553789 ESP Fit Center 5022 is at 3.431392 -4.594703 -2.553789 ESP Fit Center 5023 is at 3.830873 -4.475106 -2.553789 ESP Fit Center 5024 is at 4.192006 -4.266606 -2.553789 ESP Fit Center 5025 is at 4.495320 -3.980443 -2.553789 ESP Fit Center 5026 is at 4.724465 -3.632045 -2.553789 ESP Fit Center 5027 is at 4.867088 -3.240193 -2.553789 ESP Fit Center 5028 is at 4.646875 -2.826013 -2.881108 ESP Fit Center 5029 is at 4.590236 -2.413939 -2.881108 ESP Fit Center 5030 is at 4.424522 -2.032426 -2.881108 ESP Fit Center 5031 is at 2.238731 -4.073813 -2.881108 ESP Fit Center 5032 is at 2.608046 -4.265176 -2.881108 ESP Fit Center 5033 is at 3.015294 -4.349803 -2.881108 ESP Fit Center 5034 is at 3.430273 -4.321418 -2.881108 ESP Fit Center 5035 is at 3.822205 -4.182125 -2.881108 ESP Fit Center 5036 is at 4.162022 -3.942256 -2.881108 ESP Fit Center 5037 is at 4.424522 -3.619600 -2.881108 ESP Fit Center 5038 is at 4.590236 -3.238087 -2.881108 ESP Fit Center 5039 is at 4.319556 -2.826013 -3.149732 ESP Fit Center 5040 is at 4.247185 -2.415578 -3.149732 ESP Fit Center 5041 is at 2.519508 -3.865271 -3.149732 ESP Fit Center 5042 is at 2.911141 -4.007814 -3.149732 ESP Fit Center 5043 is at 3.327907 -4.007814 -3.149732 ESP Fit Center 5044 is at 3.719540 -3.865271 -3.149732 ESP Fit Center 5045 is at 4.038802 -3.597379 -3.149732 ESP Fit Center 5046 is at 4.247185 -3.236448 -3.149732 ESP Fit Center 5047 is at 3.946120 -2.826013 -3.349337 ESP Fit Center 5048 is at 3.835377 -2.412715 -3.349337 ESP Fit Center 5049 is at 2.706226 -3.541866 -3.349337 ESP Fit Center 5050 is at 3.119524 -3.652609 -3.349337 ESP Fit Center 5051 is at 3.532822 -3.541866 -3.349337 ESP Fit Center 5052 is at 3.835377 -3.239311 -3.349337 ESP Fit Center 5053 is at 3.540919 -2.826013 -3.472254 ESP Fit Center 5054 is at 2.908827 -3.190952 -3.472254 ESP Fit Center 5055 is at 3.330222 -3.190952 -3.472254 ESP Fit Center 5056 is at -2.387991 -3.487041 2.327068 ESP Fit Center 5057 is at -1.973191 -3.506800 2.327068 ESP Fit Center 5058 is at -2.077127 -3.730646 1.965822 ESP Fit Center 5059 is at -1.659378 -3.694098 1.965822 ESP Fit Center 5060 is at -1.254323 -3.585564 1.965822 ESP Fit Center 5061 is at -0.874268 -3.408341 1.965822 ESP Fit Center 5062 is at -0.530761 -3.167815 1.965822 ESP Fit Center 5063 is at -0.234240 -2.871294 1.965822 ESP Fit Center 5064 is at 0.006286 -2.527787 1.965822 ESP Fit Center 5065 is at -2.289178 -3.884011 1.574394 ESP Fit Center 5066 is at -1.865075 -3.884011 1.574394 ESP Fit Center 5067 is at -1.446756 -3.814206 1.574394 ESP Fit Center 5068 is at -2.077127 -3.991687 1.162421 ESP Fit Center 5069 is at -3.746846 -1.358892 3.090917 ESP Fit Center 5070 is at -2.504165 -4.076249 1.258504 ESP Fit Center 5071 is at -2.711586 -4.260916 0.846531 ESP Fit Center 5072 is at -2.324977 -4.100777 0.846531 ESP Fit Center 5073 is at -5.856498 -3.104429 0.424158 ESP Fit Center 5074 is at -3.432242 -4.422697 0.424158 ESP Fit Center 5075 is at -3.021604 -4.375291 0.424158 ESP Fit Center 5076 is at -2.623014 -4.265756 0.424158 ESP Fit Center 5077 is at -2.245816 -4.096661 0.424158 ESP Fit Center 5078 is at -5.911759 -2.935361 0.001785 ESP Fit Center 5079 is at -5.693113 -3.292160 0.001785 ESP Fit Center 5080 is at -5.421343 -3.610361 0.001785 ESP Fit Center 5081 is at -5.103141 -3.882131 0.001785 ESP Fit Center 5082 is at -4.746343 -4.100777 0.001785 ESP Fit Center 5083 is at -4.359733 -4.260916 0.001785 ESP Fit Center 5084 is at -3.952833 -4.358604 0.001785 ESP Fit Center 5085 is at -3.535660 -4.391437 0.001785 ESP Fit Center 5086 is at -3.118487 -4.358604 0.001785 ESP Fit Center 5087 is at -2.711586 -4.260916 0.001785 ESP Fit Center 5088 is at -2.324977 -4.100777 0.001785 ESP Fit Center 5089 is at -5.794019 -2.946841 -0.410188 ESP Fit Center 5090 is at -5.562056 -3.301886 -0.410188 ESP Fit Center 5091 is at -5.274819 -3.613909 -0.410188 ESP Fit Center 5092 is at -5.619072 -2.927537 -0.801616 ESP Fit Center 5093 is at -5.392801 -1.294290 2.735968 ESP Fit Center 5094 is at -5.986747 -0.917128 2.514597 ESP Fit Center 5095 is at -5.828203 -1.299887 2.514597 ESP Fit Center 5096 is at -5.575996 -1.628570 2.514597 ESP Fit Center 5097 is at -6.362992 -0.506377 2.239439 ESP Fit Center 5098 is at -6.315124 -0.931212 2.239439 ESP Fit Center 5099 is at -6.173922 -1.334743 2.239439 ESP Fit Center 5100 is at -5.946467 -1.696737 2.239439 ESP Fit Center 5101 is at -6.549668 0.109024 1.917271 ESP Fit Center 5102 is at -6.537216 0.696481 1.556025 ESP Fit Center 5103 is at -6.714438 0.316427 1.556025 ESP Fit Center 5104 is at -6.192962 1.382853 1.164597 ESP Fit Center 5105 is at -6.480200 1.070830 1.164597 ESP Fit Center 5106 is at -6.712162 0.715785 1.164597 ESP Fit Center 5107 is at -6.021285 1.651076 0.752624 ESP Fit Center 5108 is at -6.339486 1.379306 0.752624 ESP Fit Center 5109 is at -6.611256 1.061104 0.752624 ESP Fit Center 5110 is at -6.536824 1.211477 0.330251 ESP Fit Center 5111 is at -6.611256 1.061104 -0.092122 ESP Fit Center 5112 is at -6.556015 1.243797 -0.399756 ESP Fit Center 5113 is at -6.524033 1.429029 -0.822129 ESP Fit Center 5114 is at -6.648754 1.034927 -0.822129 ESP Fit Center 5115 is at -6.556015 1.243797 -1.244502 ESP Fit Center 5116 is at -6.653703 0.836896 -1.244502 ESP Fit Center 5117 is at -6.686535 0.419723 -1.244502 ESP Fit Center 5118 is at -6.278135 1.641886 -1.656475 ESP Fit Center 5119 is at -6.448496 1.253503 -1.656475 ESP Fit Center 5120 is at -6.103189 1.622582 -2.047903 ESP Fit Center 5121 is at -3.915841 2.601595 -2.409149 ESP Fit Center 5122 is at -5.450219 2.070541 -2.409149 ESP Fit Center 5123 is at -4.019776 2.328911 -2.731317 ESP Fit Center 5124 is at -4.444611 2.281044 -2.731317 ESP Fit Center 5125 is at -4.848142 2.139842 -2.731317 ESP Fit Center 5126 is at -3.609025 1.952667 -3.006475 ESP Fit Center 5127 is at -4.019776 2.006743 -3.006475 ESP Fit Center 5128 is at -4.430527 1.952667 -3.006475 ESP Fit Center 5129 is at -3.806923 1.626875 -3.227847 ESP Fit Center 5130 is at -0.310003 0.399122 -2.636974 ESP Fit Center 5131 is at -0.349477 0.812512 -2.636974 ESP Fit Center 5132 is at -0.585161 0.399122 -2.959142 ESP Fit Center 5133 is at -0.633028 0.823956 -2.959142 ESP Fit Center 5134 is at -0.961405 0.809873 -3.234300 ESP Fit Center 5135 is at -1.342498 0.818361 -3.455671 ESP Fit Center 5136 is at -3.107236 1.460673 -3.455671 ESP Fit Center 5137 is at -3.433347 1.187034 -3.455671 ESP Fit Center 5138 is at -1.771784 0.816295 -3.617806 ESP Fit Center 5139 is at -2.077176 1.121686 -3.617806 ESP Fit Center 5140 is at -2.494349 1.233468 -3.617806 ESP Fit Center 5141 is at -2.911522 1.121686 -3.617806 ESP Fit Center 5142 is at -3.216914 0.816295 -3.617806 ESP Fit Center 5143 is at -3.328695 0.399122 -3.617806 ESP Fit Center 5144 is at -2.283163 0.764908 -3.716712 ESP Fit Center 5145 is at -2.705536 0.764908 -3.716712 ESP Fit Center 5146 is at -2.916722 0.399122 -3.716712 ESP Fit Center 5147 is at -2.132801 0.797113 3.162497 ESP Fit Center 5148 is at -1.711406 0.797113 3.120994 ESP Fit Center 5149 is at -1.922104 1.162052 3.120994 ESP Fit Center 5150 is at -2.343499 1.162052 3.120994 ESP Fit Center 5151 is at -2.554197 0.797113 3.120994 ESP Fit Center 5152 is at -2.343499 0.432174 3.120994 ESP Fit Center 5153 is at -1.922104 0.432174 3.120994 ESP Fit Center 5154 is at -1.306205 0.797113 2.998077 ESP Fit Center 5155 is at -1.416948 1.210411 2.998077 ESP Fit Center 5156 is at -1.719503 1.512966 2.998077 ESP Fit Center 5157 is at -2.132801 1.623709 2.998077 ESP Fit Center 5158 is at -2.546100 1.512966 2.998077 ESP Fit Center 5159 is at -2.848655 1.210411 2.998077 ESP Fit Center 5160 is at -2.959398 0.797113 2.998077 ESP Fit Center 5161 is at -2.848655 0.383815 2.998077 ESP Fit Center 5162 is at -1.416948 0.383815 2.998077 ESP Fit Center 5163 is at -0.932770 0.797113 2.798472 ESP Fit Center 5164 is at 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ESP Fit Center 5237 is at -1.212348 -2.417649 -1.846984 ESP Fit Center 5238 is at -1.892144 -1.388619 3.968735 ESP Fit Center 5239 is at -1.470748 -1.388619 3.927231 ESP Fit Center 5240 is at -1.681446 -1.023680 3.927231 ESP Fit Center 5241 is at -2.102841 -1.023680 3.927231 ESP Fit Center 5242 is at -2.313539 -1.388619 3.927231 ESP Fit Center 5243 is at -2.102841 -1.753558 3.927231 ESP Fit Center 5244 is at -1.681446 -1.753558 3.927231 ESP Fit Center 5245 is at -1.065547 -1.388619 3.804315 ESP Fit Center 5246 is at -1.176290 -0.975321 3.804315 ESP Fit Center 5247 is at -1.478845 -0.672766 3.804315 ESP Fit Center 5248 is at -1.892144 -0.562023 3.804315 ESP Fit Center 5249 is at -2.305442 -0.672766 3.804315 ESP Fit Center 5250 is at -2.607997 -0.975321 3.804315 ESP Fit Center 5251 is at -2.718740 -1.388619 3.804315 ESP Fit Center 5252 is at -2.607997 -1.801917 3.804315 ESP Fit Center 5253 is at -2.305442 -2.104472 3.804315 ESP Fit Center 5254 is at -1.892144 -2.215215 3.804315 ESP Fit 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Center 5399 is at -4.396130 -2.258063 -2.518365 ESP Fit Center 5400 is at -4.285387 -2.671361 -2.518365 ESP Fit Center 5401 is at -3.982832 -2.973916 -2.518365 ESP Fit Center 5402 is at -3.569534 -3.084659 -2.518365 ESP Fit Center 5403 is at -3.156236 -2.973916 -2.518365 ESP Fit Center 5404 is at -2.853680 -2.671361 -2.518365 ESP Fit Center 5405 is at -3.148139 -2.258063 -2.641282 ESP Fit Center 5406 is at -3.780231 -1.893124 -2.641282 ESP Fit Center 5407 is at -3.990929 -2.258063 -2.641282 ESP Fit Center 5408 is at -3.780231 -2.623002 -2.641282 ESP Fit Center 5409 is at -3.358836 -2.623002 -2.641282 ESP Fit Center 5410 is at -3.569534 -2.258063 -2.682785 ESP Fit Center 5411 is at -3.896268 -2.419466 3.336466 ESP Fit Center 5412 is at -3.474873 -2.419466 3.294962 ESP Fit Center 5413 is at -3.685571 -2.054527 3.294962 ESP Fit Center 5414 is at -4.106966 -2.054527 3.294962 ESP Fit Center 5415 is at -4.317663 -2.419466 3.294962 ESP Fit Center 5416 is at -4.106966 -2.784404 3.294962 ESP Fit Center 5417 is at -3.685571 -2.784404 3.294962 ESP Fit Center 5418 is at -3.896268 -1.592869 3.172046 ESP Fit Center 5419 is at -4.309566 -1.703612 3.172046 ESP Fit Center 5420 is at -4.612122 -2.006168 3.172046 ESP Fit Center 5421 is at -4.722864 -2.419466 3.172046 ESP Fit Center 5422 is at -4.612122 -2.832764 3.172046 ESP Fit Center 5423 is at -4.309566 -3.135319 3.172046 ESP Fit Center 5424 is at -3.896268 -3.246062 3.172046 ESP Fit Center 5425 is at -3.482970 -3.135319 3.172046 ESP Fit Center 5426 is at -3.180415 -2.832764 3.172046 ESP Fit Center 5427 is at -4.496284 -1.380208 2.972440 ESP Fit Center 5428 is at -4.815546 -1.648100 2.972440 ESP Fit Center 5429 is at -5.023929 -2.009031 2.972440 ESP Fit Center 5430 is at -5.096300 -2.419466 2.972440 ESP Fit Center 5431 is at -5.023929 -2.829901 2.972440 ESP Fit Center 5432 is at -4.815546 -3.190831 2.972440 ESP Fit Center 5433 is at -4.496284 -3.458724 2.972440 ESP Fit Center 5434 is at -4.104652 -3.601266 2.972440 ESP Fit Center 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1.176466 ESP Fit Center 5490 is at -4.976268 -4.290080 1.176466 ESP Fit Center 5491 is at -4.602735 -4.460667 1.176466 ESP Fit Center 5492 is at -4.203668 -4.557480 1.176466 ESP Fit Center 5493 is at -3.793491 -4.577019 1.176466 ESP Fit Center 5494 is at -3.387029 -4.518579 1.176466 ESP Fit Center 5495 is at -2.998972 -4.384271 1.176466 ESP Fit Center 5496 is at -2.643345 -4.178950 1.176466 ESP Fit Center 5497 is at -5.853503 -3.230179 0.755071 ESP Fit Center 5498 is at -5.657733 -3.596439 0.755071 ESP Fit Center 5499 is at -5.394271 -3.917469 0.755071 ESP Fit Center 5500 is at -5.073242 -4.180931 0.755071 ESP Fit Center 5501 is at -4.706982 -4.376701 0.755071 ESP Fit Center 5502 is at -4.309566 -4.497256 0.755071 ESP Fit Center 5503 is at -3.896268 -4.537962 0.755071 ESP Fit Center 5504 is at -3.482970 -4.497256 0.755071 ESP Fit Center 5505 is at -3.085555 -4.376701 0.755071 ESP Fit Center 5506 is at -5.510726 -3.592438 0.349870 ESP Fit Center 5507 is at -5.231572 -3.902470 0.349870 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Center 5526 is at -7.171357 -1.434337 1.388997 ESP Fit Center 5527 is at -6.984207 -1.806981 1.388997 ESP Fit Center 5528 is at -6.716165 -2.126422 1.388997 ESP Fit Center 5529 is at -6.381680 -2.375437 1.388997 ESP Fit Center 5530 is at -6.818996 0.662928 1.015561 ESP Fit Center 5531 is at -7.098151 0.352895 1.015561 ESP Fit Center 5532 is at -7.306746 -0.008402 1.015561 ESP Fit Center 5533 is at -7.435664 -0.405173 1.015561 ESP Fit Center 5534 is at -7.479272 -0.820077 1.015561 ESP Fit Center 5535 is at -7.435664 -1.234982 1.015561 ESP Fit Center 5536 is at -7.306746 -1.631753 1.015561 ESP Fit Center 5537 is at -7.098151 -1.993050 1.015561 ESP Fit Center 5538 is at -6.818996 -2.303082 1.015561 ESP Fit Center 5539 is at -6.481483 -2.548300 1.015561 ESP Fit Center 5540 is at -6.100361 -2.717986 1.015561 ESP Fit Center 5541 is at -6.981696 0.677926 0.610360 ESP Fit Center 5542 is at -7.245158 0.356896 0.610360 ESP Fit Center 5543 is at -7.440928 -0.009364 0.610360 ESP Fit Center 5544 is 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is at -6.884596 -0.211579 -1.338386 ESP Fit Center 5599 is at -6.996817 -0.612103 -1.338386 ESP Fit Center 5600 is at -6.996817 -1.028051 -1.338386 ESP Fit Center 5601 is at -6.884596 -1.428575 -1.338386 ESP Fit Center 5602 is at -6.668476 -1.783970 -1.338386 ESP Fit Center 5603 is at -6.364486 -2.067877 -1.338386 ESP Fit Center 5604 is at -5.995171 -2.259240 -1.338386 ESP Fit Center 5605 is at -5.587923 -2.343867 -1.338386 ESP Fit Center 5606 is at -6.611354 -0.409642 -1.607009 ESP Fit Center 5607 is at -6.683724 -0.820077 -1.607009 ESP Fit Center 5608 is at -6.611354 -1.230512 -1.607009 ESP Fit Center 5609 is at -6.402970 -1.591443 -1.607009 ESP Fit Center 5610 is at -6.083709 -1.859335 -1.607009 ESP Fit Center 5611 is at -5.692076 -2.001878 -1.607009 ESP Fit Center 5612 is at -4.428208 0.034572 3.432886 ESP Fit Center 5613 is at -4.006813 0.034572 3.391382 ESP Fit Center 5614 is at -4.217510 0.399511 3.391382 ESP Fit Center 5615 is at -4.638905 0.399511 3.391382 ESP Fit Center 5616 is at -4.849603 0.034572 3.391382 ESP Fit Center 5617 is at -4.638905 -0.330367 3.391382 ESP Fit Center 5618 is at -4.217510 -0.330367 3.391382 ESP Fit Center 5619 is at -3.601612 0.034572 3.268465 ESP Fit Center 5620 is at -3.712355 0.447870 3.268465 ESP Fit Center 5621 is at -4.014910 0.750425 3.268465 ESP Fit Center 5622 is at -4.428208 0.861168 3.268465 ESP Fit Center 5623 is at -4.841506 0.750425 3.268465 ESP Fit Center 5624 is at -5.144061 0.447870 3.268465 ESP Fit Center 5625 is at -5.254804 0.034572 3.268465 ESP Fit Center 5626 is at -5.144061 -0.378726 3.268465 ESP Fit Center 5627 is at -4.841506 -0.681282 3.268465 ESP Fit Center 5628 is at -4.428208 -0.792024 3.268465 ESP Fit Center 5629 is at -4.014910 -0.681282 3.268465 ESP Fit Center 5630 is at -3.712355 -0.378726 3.268465 ESP Fit Center 5631 is at -3.228176 0.034572 3.068860 ESP Fit Center 5632 is at -3.300547 0.445007 3.068860 ESP Fit Center 5633 is at -3.508930 0.805937 3.068860 ESP Fit Center 5634 is at -3.828192 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Fit Center 5653 is at -5.612991 0.998464 2.800236 ESP Fit Center 5654 is at -5.829111 0.643070 2.800236 ESP Fit Center 5655 is at -5.941333 0.242546 2.800236 ESP Fit Center 5656 is at -5.941333 -0.173402 2.800236 ESP Fit Center 5657 is at -5.829111 -0.573926 2.800236 ESP Fit Center 5658 is at -5.612991 -0.929321 2.800236 ESP Fit Center 5659 is at -5.309001 -1.213228 2.800236 ESP Fit Center 5660 is at -3.716859 1.683664 2.472917 ESP Fit Center 5661 is at -4.116340 1.803261 2.472917 ESP Fit Center 5662 is at -4.532634 1.827508 2.472917 ESP Fit Center 5663 is at -4.943299 1.755096 2.472917 ESP Fit Center 5664 is at -5.326195 1.589931 2.472917 ESP Fit Center 5665 is at -5.660680 1.340916 2.472917 ESP Fit Center 5666 is at -5.928723 1.021476 2.472917 ESP Fit Center 5667 is at -6.115872 0.648831 2.472917 ESP Fit Center 5668 is at -6.212038 0.243072 2.472917 ESP Fit Center 5669 is at -6.212038 -0.173928 2.472917 ESP Fit Center 5670 is at -6.115872 -0.579688 2.472917 ESP Fit Center 5671 is at 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ESP Fit Center 5690 is at -5.842707 1.666991 1.272886 ESP Fit Center 5691 is at -6.593696 0.731825 -1.739197 ESP Fit Center 5692 is at -6.671411 0.328603 -1.739197 ESP Fit Center 5693 is at -6.671411 -0.082039 -1.739197 ESP Fit Center 5694 is at -6.593696 -0.485260 -1.739197 ESP Fit Center 5695 is at -6.282657 1.300256 -2.160592 ESP Fit Center 5696 is at -6.478427 0.933996 -2.160592 ESP Fit Center 5697 is at -6.598981 0.536581 -2.160592 ESP Fit Center 5698 is at -6.639688 0.123282 -2.160592 ESP Fit Center 5699 is at -6.598981 -0.290016 -2.160592 ESP Fit Center 5700 is at -6.478427 -0.687431 -2.160592 ESP Fit Center 5701 is at -6.282657 -1.053691 -2.160592 ESP Fit Center 5702 is at -6.019194 -1.374721 -2.160592 ESP Fit Center 5703 is at -5.698165 -1.638183 -2.160592 ESP Fit Center 5704 is at -5.331905 -1.833953 -2.160592 ESP Fit Center 5705 is at -5.518981 1.851505 -2.565793 ESP Fit Center 5706 is at -5.856495 1.606287 -2.565793 ESP Fit Center 5707 is at -6.135649 1.296255 -2.565793 ESP Fit Center 5708 is at -6.344244 0.934958 -2.565793 ESP Fit Center 5709 is at -6.473163 0.538187 -2.565793 ESP Fit Center 5710 is at -6.516771 0.123282 -2.565793 ESP Fit Center 5711 is at -6.473163 -0.291622 -2.565793 ESP Fit Center 5712 is at -6.344244 -0.688393 -2.565793 ESP Fit Center 5713 is at -6.135649 -1.049690 -2.565793 ESP Fit Center 5714 is at -5.856495 -1.359722 -2.565793 ESP Fit Center 5715 is at -5.518981 -1.604940 -2.565793 ESP Fit Center 5716 is at -5.137859 -1.774627 -2.565793 ESP Fit Center 5717 is at -4.729786 -1.861365 -2.565793 ESP Fit Center 5718 is at -4.312596 -1.861365 -2.565793 ESP Fit Center 5719 is at -5.036283 1.843807 -2.939229 ESP Fit Center 5720 is at -5.419178 1.678642 -2.939229 ESP Fit Center 5721 is at -5.753664 1.429627 -2.939229 ESP Fit Center 5722 is at -6.021706 1.110186 -2.939229 ESP Fit Center 5723 is at -6.208855 0.737542 -2.939229 ESP Fit Center 5724 is at -6.305022 0.331782 -2.939229 ESP Fit Center 5725 is at -6.305022 -0.085217 -2.939229 ESP Fit Center 5726 is at -6.208855 -0.490977 -2.939229 ESP Fit Center 5727 is at -6.021706 -0.863622 -2.939229 ESP Fit Center 5728 is at -5.753664 -1.183062 -2.939229 ESP Fit Center 5729 is at -5.419178 -1.432077 -2.939229 ESP Fit Center 5730 is at -5.036283 -1.597242 -2.939229 ESP Fit Center 5731 is at -4.625618 -1.669653 -2.939229 ESP Fit Center 5732 is at -4.209324 -1.645407 -2.939229 ESP Fit Center 5733 is at -3.809842 -1.525810 -2.939229 ESP Fit Center 5734 is at -4.210443 1.618687 -3.266548 ESP Fit Center 5735 is at -4.625421 1.647072 -3.266548 ESP Fit Center 5736 is at -5.032670 1.562445 -3.266548 ESP Fit Center 5737 is at -5.401984 1.371082 -3.266548 ESP Fit Center 5738 is at -5.705974 1.087175 -3.266548 ESP Fit Center 5739 is at -5.922095 0.731781 -3.266548 ESP Fit Center 5740 is at -6.034316 0.331257 -3.266548 ESP Fit Center 5741 is at -6.034316 -0.084692 -3.266548 ESP Fit Center 5742 is at -5.922095 -0.485216 -3.266548 ESP Fit Center 5743 is at -5.705974 -0.840610 -3.266548 ESP Fit Center 5744 is at -5.401984 -1.124517 -3.266548 ESP Fit Center 5745 is at -5.032670 -1.315880 -3.266548 ESP Fit Center 5746 is at -4.625421 -1.400508 -3.266548 ESP Fit Center 5747 is at -4.210443 -1.372122 -3.266548 ESP Fit Center 5748 is at -3.818511 -1.232830 -3.266548 ESP Fit Center 5749 is at -3.601914 0.894648 -3.535171 ESP Fit Center 5750 is at -3.921175 1.162540 -3.535171 ESP Fit Center 5751 is at -4.312808 1.305083 -3.535171 ESP Fit Center 5752 is at -4.729575 1.305083 -3.535171 ESP Fit Center 5753 is at -5.121207 1.162540 -3.535171 ESP Fit Center 5754 is at -5.440469 0.894648 -3.535171 ESP Fit Center 5755 is at -5.648852 0.533717 -3.535171 ESP Fit Center 5756 is at -5.721223 0.123282 -3.535171 ESP Fit Center 5757 is at -5.648852 -0.287153 -3.535171 ESP Fit Center 5758 is at -5.440469 -0.648083 -3.535171 ESP Fit Center 5759 is at -5.121207 -0.915975 -3.535171 ESP Fit Center 5760 is at -4.729575 -1.058518 -3.535171 ESP Fit Center 5761 is at -4.312808 -1.058518 -3.535171 ESP Fit Center 5762 is at -3.921175 -0.915975 -3.535171 ESP Fit Center 5763 is at -3.601914 -0.648083 -3.535171 ESP Fit Center 5764 is at -3.694595 0.123282 -3.734777 ESP Fit Center 5765 is at -3.805338 0.536581 -3.734777 ESP Fit Center 5766 is at -4.107893 0.839136 -3.734777 ESP Fit Center 5767 is at -4.521191 0.949879 -3.734777 ESP Fit Center 5768 is at -4.934489 0.839136 -3.734777 ESP Fit Center 5769 is at -5.237045 0.536581 -3.734777 ESP Fit Center 5770 is at -5.347788 0.123282 -3.734777 ESP Fit Center 5771 is at -5.237045 -0.290016 -3.734777 ESP Fit Center 5772 is at -4.934489 -0.592571 -3.734777 ESP Fit Center 5773 is at -4.521191 -0.703314 -3.734777 ESP Fit Center 5774 is at -4.107893 -0.592571 -3.734777 ESP Fit Center 5775 is at -3.805338 -0.290016 -3.734777 ESP Fit Center 5776 is at -4.099796 0.123282 -3.857693 ESP Fit Center 5777 is at -4.310494 0.488221 -3.857693 ESP Fit Center 5778 is at -4.731889 0.488221 -3.857693 ESP Fit Center 5779 is at -4.942586 0.123282 -3.857693 ESP Fit Center 5780 is at -4.731889 -0.241656 -3.857693 ESP Fit Center 5781 is at -4.310494 -0.241656 -3.857693 ESP Fit Center 5782 is at -4.521191 0.123282 -3.899197 ESP Fit Center 5783 is at -3.928701 2.150198 1.386186 ESP Fit Center 5784 is at -4.341999 2.260941 1.386186 ESP Fit Center 5785 is at -3.741983 2.473602 1.186581 ESP Fit Center 5786 is at -4.133616 2.616145 1.186581 ESP Fit Center 5787 is at -4.550382 2.616145 1.186581 ESP Fit Center 5788 is at -4.942015 2.473602 1.186581 ESP Fit Center 5789 is at -5.261277 2.205710 1.186581 ESP Fit Center 5790 is at -3.639318 2.790456 0.917957 ESP Fit Center 5791 is at -4.031250 2.929749 0.917957 ESP Fit Center 5792 is at -4.446229 2.958134 0.917957 ESP Fit Center 5793 is at -4.853477 2.873507 0.917957 ESP Fit Center 5794 is at -5.222792 2.682144 0.917957 ESP Fit Center 5795 is at -5.526782 2.398237 0.917957 ESP Fit Center 5796 is at -5.742902 2.042843 0.917957 ESP Fit Center 5797 is at -3.269517 2.874937 0.590638 ESP Fit Center 5798 is at 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ESP Fit Center 5817 is at -6.337579 1.434344 0.217202 ESP Fit Center 5818 is at -3.165025 3.195810 -0.187999 ESP Fit Center 5819 is at -3.531285 3.391580 -0.187999 ESP Fit Center 5820 is at -3.928701 3.512134 -0.187999 ESP Fit Center 5821 is at -4.341999 3.552841 -0.187999 ESP Fit Center 5822 is at -4.755297 3.512134 -0.187999 ESP Fit Center 5823 is at -5.152712 3.391580 -0.187999 ESP Fit Center 5824 is at -5.518972 3.195810 -0.187999 ESP Fit Center 5825 is at -5.840002 2.932347 -0.187999 ESP Fit Center 5826 is at -6.103464 2.611318 -0.187999 ESP Fit Center 5827 is at -6.299234 2.245058 -0.187999 ESP Fit Center 5828 is at -6.419789 1.847642 -0.187999 ESP Fit Center 5829 is at -6.460495 1.434344 -0.187999 ESP Fit Center 5830 is at -3.089076 3.193828 -0.609394 ESP Fit Center 5831 is at -3.444702 3.399149 -0.609394 ESP Fit Center 5832 is at -3.832760 3.533457 -0.609394 ESP Fit Center 5833 is at -4.239222 3.591898 -0.609394 ESP Fit Center 5834 is at -4.649399 3.572359 -0.609394 ESP Fit Center 5835 is at -5.048466 3.475546 -0.609394 ESP Fit Center 5836 is at -5.421999 3.304959 -0.609394 ESP Fit Center 5837 is at -5.756498 3.066763 -0.609394 ESP Fit Center 5838 is at -6.039874 2.769568 -0.609394 ESP Fit Center 5839 is at -6.261883 2.424114 -0.609394 ESP Fit Center 5840 is at -6.414504 2.042887 -0.609394 ESP Fit Center 5841 is at -6.492218 1.639665 -0.609394 ESP Fit Center 5842 is at -3.531285 3.391580 -1.030789 ESP Fit Center 5843 is at -3.928701 3.512134 -1.030789 ESP Fit Center 5844 is at -4.341999 3.552841 -1.030789 ESP Fit Center 5845 is at -4.755297 3.512134 -1.030789 ESP Fit Center 5846 is at -5.152712 3.391580 -1.030789 ESP Fit Center 5847 is at -5.518972 3.195810 -1.030789 ESP Fit Center 5848 is at -5.840002 2.932347 -1.030789 ESP Fit Center 5849 is at -6.103464 2.611318 -1.030789 ESP Fit Center 5850 is at -6.299234 2.245058 -1.030789 ESP Fit Center 5851 is at -6.419789 1.847642 -1.030789 ESP Fit Center 5852 is at -3.344209 3.162567 -1.435990 ESP Fit Center 5853 is at -3.725331 3.332254 -1.435990 ESP Fit Center 5854 is at -4.133404 3.418992 -1.435990 ESP Fit Center 5855 is at -4.550594 3.418992 -1.435990 ESP Fit Center 5856 is at -4.958667 3.332254 -1.435990 ESP Fit Center 5857 is at -5.339789 3.162567 -1.435990 ESP Fit Center 5858 is at -5.677302 2.917349 -1.435990 ESP Fit Center 5859 is at -5.956457 2.607317 -1.435990 ESP Fit Center 5860 is at -6.165052 2.246020 -1.435990 ESP Fit Center 5861 is at -6.293970 1.849249 -1.435990 ESP Fit Center 5862 is at -3.630650 3.083437 -1.809426 ESP Fit Center 5863 is at -4.030131 3.203034 -1.809426 ESP Fit Center 5864 is at -4.446426 3.227280 -1.809426 ESP Fit Center 5865 is at -4.857090 3.154869 -1.809426 ESP Fit Center 5866 is at -5.239986 2.989704 -1.809426 ESP Fit Center 5867 is at -5.574471 2.740689 -1.809426 ESP Fit Center 5868 is at -5.842514 2.421248 -1.809426 ESP Fit Center 5869 is at -6.029663 2.048604 -1.809426 ESP Fit Center 5870 is at -3.639318 2.790456 -2.136744 ESP Fit Center 5871 is at -4.031250 2.929749 -2.136744 ESP Fit Center 5872 is at -4.446229 2.958134 -2.136744 ESP Fit Center 5873 is at -4.853477 2.873507 -2.136744 ESP Fit Center 5874 is at -5.222792 2.682144 -2.136744 ESP Fit Center 5875 is at -5.526782 2.398237 -2.136744 ESP Fit Center 5876 is at -5.742902 2.042843 -2.136744 ESP Fit Center 5877 is at -4.133616 2.616145 -2.405368 ESP Fit Center 5878 is at -4.550382 2.616145 -2.405368 ESP Fit Center 5879 is at -4.942015 2.473602 -2.405368 ESP Fit Center 5880 is at -1.815275 -2.441713 -2.200170 ESP Fit Center 5881 is at -1.417860 -2.321158 -2.200170 ESP Fit Center 5882 is at -1.051600 -2.125388 -2.200170 ESP Fit Center 5883 is at -0.730570 -1.861926 -2.200170 ESP Fit Center 5884 is at -0.232994 -0.363923 -2.605371 ESP Fit Center 5885 is at -0.276602 0.050981 -2.605371 ESP Fit Center 5886 is at -2.845241 -2.261832 -2.605371 ESP Fit Center 5887 is at -2.437168 -2.348571 -2.605371 ESP Fit Center 5888 is at -2.019978 -2.348571 -2.605371 ESP Fit Center 5889 is at 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is at -0.701223 -0.363923 -3.306125 ESP Fit Center 5908 is at -0.757861 0.048151 -3.306125 ESP Fit Center 5909 is at -0.923575 0.429664 -3.306125 ESP Fit Center 5910 is at -3.413356 -1.327816 -3.306125 ESP Fit Center 5911 is at -3.109366 -1.611722 -3.306125 ESP Fit Center 5912 is at -2.740052 -1.803086 -3.306125 ESP Fit Center 5913 is at -2.332803 -1.887713 -3.306125 ESP Fit Center 5914 is at -1.917825 -1.859328 -3.306125 ESP Fit Center 5915 is at -1.525893 -1.720035 -3.306125 ESP Fit Center 5916 is at -1.186075 -1.480166 -3.306125 ESP Fit Center 5917 is at -0.923575 -1.157510 -3.306125 ESP Fit Center 5918 is at -0.757861 -0.775997 -3.306125 ESP Fit Center 5919 is at -1.028542 -0.363923 -3.574749 ESP Fit Center 5920 is at -1.100912 0.046512 -3.574749 ESP Fit Center 5921 is at -1.309296 0.407443 -3.574749 ESP Fit Center 5922 is at -3.428605 -0.363923 -3.574749 ESP Fit Center 5923 is at -3.356234 -0.774358 -3.574749 ESP Fit Center 5924 is at -3.147851 -1.135288 -3.574749 ESP Fit Center 5925 is at -2.828589 -1.403181 -3.574749 ESP Fit Center 5926 is at -2.436957 -1.545723 -3.574749 ESP Fit Center 5927 is at -2.020190 -1.545723 -3.574749 ESP Fit Center 5928 is at -1.628557 -1.403181 -3.574749 ESP Fit Center 5929 is at -1.309296 -1.135288 -3.574749 ESP Fit Center 5930 is at -1.100912 -0.774358 -3.574749 ESP Fit Center 5931 is at -1.401977 -0.363923 -3.774354 ESP Fit Center 5932 is at -1.512720 0.049375 -3.774354 ESP Fit Center 5933 is at -1.815275 0.351930 -3.774354 ESP Fit Center 5934 is at -2.228573 0.462673 -3.774354 ESP Fit Center 5935 is at -2.641871 0.351930 -3.774354 ESP Fit Center 5936 is at -2.944427 0.049375 -3.774354 ESP Fit Center 5937 is at -3.055170 -0.363923 -3.774354 ESP Fit Center 5938 is at -2.944427 -0.777221 -3.774354 ESP Fit Center 5939 is at -2.641871 -1.079776 -3.774354 ESP Fit Center 5940 is at -2.228573 -1.190519 -3.774354 ESP Fit Center 5941 is at -1.815275 -1.079776 -3.774354 ESP Fit Center 5942 is at -1.512720 -0.777221 -3.774354 ESP Fit Center 5943 is at -1.807178 -0.363923 -3.897271 ESP Fit Center 5944 is at -2.017876 0.001016 -3.897271 ESP Fit Center 5945 is at -2.439271 0.001016 -3.897271 ESP Fit Center 5946 is at -2.649968 -0.363923 -3.897271 ESP Fit Center 5947 is at -2.439271 -0.728862 -3.897271 ESP Fit Center 5948 is at -2.017876 -0.728862 -3.897271 ESP Fit Center 5949 is at -2.228573 -0.363923 -3.938775 ESP Fit Center 5950 is at -2.585538 3.426104 -1.039275 ESP Fit Center 5951 is at -2.982954 3.305550 -1.039275 ESP Fit Center 5952 is at -2.479640 3.486329 -1.460670 ESP Fit Center 5953 is at -2.878707 3.389516 -1.460670 ESP Fit Center 5954 is at -3.252240 3.218929 -1.460670 ESP Fit Center 5955 is at -1.758942 3.426104 -1.882066 ESP Fit Center 5956 is at -2.172240 3.466811 -1.882066 ESP Fit Center 5957 is at -2.585538 3.426104 -1.882066 ESP Fit Center 5958 is at -2.982954 3.305550 -1.882066 ESP Fit Center 5959 is at -3.349214 3.109780 -1.882066 ESP Fit Center 5960 is at -0.557782 2.521287 -2.287267 ESP Fit Center 5961 is at -0.836937 2.831319 -2.287267 ESP Fit Center 5962 is at -1.174450 3.076537 -2.287267 ESP Fit Center 5963 is at -1.555572 3.246224 -2.287267 ESP Fit Center 5964 is at -1.963645 3.332962 -2.287267 ESP Fit Center 5965 is at -2.380835 3.332962 -2.287267 ESP Fit Center 5966 is at -2.788908 3.246224 -2.287267 ESP Fit Center 5967 is at -3.170030 3.076537 -2.287267 ESP Fit Center 5968 is at -3.507544 2.831319 -2.287267 ESP Fit Center 5969 is at -0.376266 1.348315 -2.660702 ESP Fit Center 5970 is at -0.424677 1.762495 -2.660702 ESP Fit Center 5971 is at -0.567299 2.154346 -2.660702 ESP Fit Center 5972 is at -0.796444 2.502745 -2.660702 ESP Fit Center 5973 is at -1.099759 2.788907 -2.660702 ESP Fit Center 5974 is at -1.460891 2.997407 -2.660702 ESP Fit Center 5975 is at -1.860373 3.117004 -2.660702 ESP Fit Center 5976 is at -2.276667 3.141250 -2.660702 ESP Fit Center 5977 is at -2.687332 3.068839 -2.660702 ESP Fit Center 5978 is at -3.070228 2.903674 -2.660702 ESP Fit Center 5979 is at -3.404713 2.654659 -2.660702 ESP Fit Center 5980 is at -0.644890 1.348315 -2.988021 ESP Fit Center 5981 is at -0.701528 1.760389 -2.988021 ESP Fit Center 5982 is at -0.867242 2.141901 -2.988021 ESP Fit Center 5983 is at -1.129742 2.464557 -2.988021 ESP Fit Center 5984 is at -1.469560 2.704427 -2.988021 ESP Fit Center 5985 is at -1.861492 2.843719 -2.988021 ESP Fit Center 5986 is at -2.276470 2.872105 -2.988021 ESP Fit Center 5987 is at -2.683719 2.787477 -2.988021 ESP Fit Center 5988 is at -3.053033 2.596114 -2.988021 ESP Fit Center 5989 is at -3.357024 2.312207 -2.988021 ESP Fit Center 5990 is at -0.972209 1.348315 -3.256645 ESP Fit Center 5991 is at -1.044579 1.758750 -3.256645 ESP Fit Center 5992 is at -1.252963 2.119680 -3.256645 ESP Fit Center 5993 is at -1.572225 2.387572 -3.256645 ESP Fit Center 5994 is at -1.963857 2.530115 -3.256645 ESP Fit Center 5995 is at -2.380624 2.530115 -3.256645 ESP Fit Center 5996 is at -2.772256 2.387572 -3.256645 ESP Fit Center 5997 is at -3.091518 2.119680 -3.256645 ESP Fit Center 5998 is at -3.299901 1.758750 -3.256645 ESP Fit Center 5999 is at -1.345644 1.348315 -3.456250 ESP Fit Center 6000 is at -1.456387 1.761613 -3.456250 ESP Fit Center 6001 is at -1.758942 2.064168 -3.456250 ESP Fit Center 6002 is at -2.172240 2.174911 -3.456250 ESP Fit Center 6003 is at -2.585538 2.064168 -3.456250 ESP Fit Center 6004 is at -2.888094 1.761613 -3.456250 ESP Fit Center 6005 is at -1.750845 1.348315 -3.579167 ESP Fit Center 6006 is at -1.961543 1.713253 -3.579167 ESP Fit Center 6007 is at -2.382938 1.713253 -3.579167 ESP Fit Center 6008 is at -2.593635 1.348315 -3.579167 ESP Fit Center 6009 is at -2.172240 1.348315 -3.620670 ESP Fit Center 6010 is at 5.614391 -2.395796 -1.322989 ESP Fit Center 6011 is at 3.372023 0.330200 -2.881609 ESP Fit Center 6012 is at 3.262431 -0.018904 -3.069984 ESP Fit Center 6013 is at 2.847341 -0.018904 -3.069984 ESP Fit Center 6014 is at 3.459678 -1.808125 4.014161 ESP Fit Center 6015 is at 3.868178 -1.808125 3.986219 ESP Fit Center 6016 is at 3.255428 -1.454354 3.986219 ESP Fit Center 6017 is at 3.051178 -1.808125 3.986219 ESP Fit Center 6018 is at 3.255428 -2.161897 3.986219 ESP Fit Center 6019 is at 3.663928 -2.161897 3.986219 ESP Fit Center 6020 is at 2.758726 -1.403430 3.902913 ESP Fit Center 6021 is at 2.650288 -1.808125 3.902913 ESP Fit Center 6022 is at 2.758726 -2.212821 3.902913 ESP Fit Center 6023 is at 3.054983 -2.509078 3.902913 ESP Fit Center 6024 is at 3.459678 -2.617516 3.902913 ESP Fit Center 6025 is at 3.864374 -2.509078 3.902913 ESP Fit Center 6026 is at 4.160631 -2.212821 3.902913 ESP Fit Center 6027 is at 2.544100 -1.039864 3.765795 ESP Fit Center 6028 is at 2.336555 -1.399342 3.765795 ESP Fit Center 6029 is at 3.252134 -2.985171 3.765795 ESP Fit Center 6030 is at 3.667223 -2.985171 3.765795 ESP Fit Center 6031 is at 4.057280 -2.843202 3.765795 ESP Fit Center 6032 is at 4.375257 -2.576387 3.765795 ESP Fit Center 6033 is at 4.582802 -2.216909 3.765795 ESP Fit Center 6034 is at 2.250537 -0.824416 3.577419 ESP Fit Center 6035 is at 2.029974 -1.187117 3.577419 ESP Fit Center 6036 is at 3.353305 -3.363243 3.577419 ESP Fit Center 6037 is at 3.776816 -3.334275 3.577419 ESP Fit Center 6038 is at 4.176806 -3.192118 3.577419 ESP Fit Center 6039 is at 4.523609 -2.947317 3.577419 ESP Fit Center 6040 is at 4.791506 -2.618028 3.577419 ESP Fit Center 6041 is at 4.960628 -2.228672 3.577419 ESP Fit Center 6042 is at 2.085177 -0.506129 3.341295 ESP Fit Center 6043 is at 1.837422 -0.832046 3.341295 ESP Fit Center 6044 is at 3.562178 -3.698613 3.341295 ESP Fit Center 6045 is at 3.966180 -3.632380 3.341295 ESP Fit Center 6046 is at 4.346499 -3.480847 3.341295 ESP Fit Center 6047 is at 4.685351 -3.251099 3.341295 ESP Fit Center 6048 is at 4.966893 -2.953880 3.341295 ESP Fit Center 6049 is at 5.177958 -2.603086 3.341295 ESP Fit Center 6050 is at 5.308679 -2.215121 3.341295 ESP Fit Center 6051 is at 2.023891 -0.151139 3.061820 ESP Fit Center 6052 is at 1.736251 -0.452807 3.061820 ESP Fit Center 6053 is at 3.564002 -3.998150 3.061820 ESP Fit Center 6054 is at 3.976582 -3.938830 3.061820 ESP Fit Center 6055 is at 4.370479 -3.802501 3.061820 ESP Fit Center 6056 is at 4.731458 -3.594090 3.061820 ESP Fit Center 6057 is at 5.046471 -3.321129 3.061820 ESP Fit Center 6058 is at 5.304133 -2.993485 3.061820 ESP Fit Center 6059 is at 5.495132 -2.622998 3.061820 ESP Fit Center 6060 is at 5.612565 -2.223060 3.061820 ESP Fit Center 6061 is at 5.910588 -1.808125 2.744202 ESP Fit Center 6062 is at 3.563698 -4.256827 2.744202 ESP Fit Center 6063 is at 3.976034 -4.204025 2.744202 ESP Fit Center 6064 is at 4.373516 -4.082298 2.744202 ESP Fit Center 6065 is at 5.770586 -2.624621 2.744202 ESP Fit Center 6066 is at 5.875334 -2.222331 2.744202 ESP Fit Center 6067 is at 6.123334 -1.808125 2.394356 ESP Fit Center 6068 is at 3.459678 -4.471781 2.394356 ESP Fit Center 6069 is at 3.876366 -4.438987 2.394356 ESP Fit Center 6070 is at 6.090540 -2.224813 2.394356 ESP Fit Center 6071 is at 6.286461 -1.808125 2.018800 ESP Fit Center 6072 is at 6.256337 -1.396543 2.018800 ESP Fit Center 6073 is at 2.946230 -4.587887 2.018800 ESP Fit Center 6074 is at 3.356439 -4.633022 2.018800 ESP Fit Center 6075 is at 6.396931 -1.808125 1.624529 ESP Fit Center 6076 is at 6.368346 -1.399339 1.624529 ESP Fit Center 6077 is at 6.283146 -0.998509 1.624529 ESP Fit Center 6078 is at 2.749093 -4.658129 1.624529 ESP Fit Center 6079 is at 3.152652 -4.729287 1.624529 ESP Fit Center 6080 is at 6.423557 -1.391579 1.218888 ESP Fit Center 6081 is at 6.336741 -0.983141 1.218888 ESP Fit Center 6082 is at 2.735605 -4.712227 1.218888 ESP Fit Center 6083 is at 3.146824 -4.784736 1.218888 ESP Fit Center 6084 is at 6.423557 -1.391579 0.809434 ESP Fit Center 6085 is at 6.336741 -0.983141 0.809434 ESP Fit Center 6086 is at 6.193926 -0.590760 0.809434 ESP Fit Center 6087 is at 5.997892 -0.222074 0.809434 ESP Fit Center 6088 is at 2.338479 -4.583193 0.809434 ESP Fit Center 6089 is at 2.735605 -4.712227 0.809434 ESP Fit Center 6090 is at 3.146824 -4.784736 0.809434 ESP Fit Center 6091 is at 6.368346 -1.399339 0.403793 ESP Fit Center 6092 is at 6.283146 -0.998509 0.403793 ESP Fit Center 6093 is at 6.142992 -0.613437 0.403793 ESP Fit Center 6094 is at 5.950610 -0.251619 0.403793 ESP Fit Center 6095 is at 2.359364 -4.531498 0.403793 ESP Fit Center 6096 is at 2.749093 -4.658129 0.403793 ESP Fit Center 6097 is at 3.152652 -4.729287 0.403793 ESP Fit Center 6098 is at 6.256337 -1.396543 0.009522 ESP Fit Center 6099 is at 6.166607 -0.993732 0.009522 ESP Fit Center 6100 is at 1.045277 -4.093127 0.224910 ESP Fit Center 6101 is at 1.395500 -4.308768 0.224910 ESP Fit Center 6102 is at 1.777129 -4.462119 0.224910 ESP Fit Center 6103 is at 2.179184 -4.548768 0.224910 ESP Fit Center 6104 is at 0.644150 -3.986574 -0.152135 ESP Fit Center 6105 is at 0.955155 -4.252197 -0.152135 ESP Fit Center 6106 is at 1.303884 -4.465898 -0.152135 ESP Fit Center 6107 is at 1.681750 -4.622416 -0.152135 ESP Fit Center 6108 is at 2.079448 -4.717894 -0.152135 ESP Fit Center 6109 is at 0.670981 -4.181477 -0.552031 ESP Fit Center 6110 is at 1.003356 -4.434836 -0.552031 ESP Fit Center 6111 is at 1.370511 -4.634488 -0.552031 ESP Fit Center 6112 is at 1.763840 -4.775755 -0.552031 ESP Fit Center 6113 is at 0.440380 -4.042696 -0.965845 ESP Fit Center 6114 is at 0.746296 -4.326545 -0.965845 ESP Fit Center 6115 is at 1.091101 -4.561628 -0.965845 ESP Fit Center 6116 is at 1.467092 -4.742696 -0.965845 ESP Fit Center 6117 is at 1.865870 -4.865703 -0.965845 ESP Fit Center 6118 is at 0.180187 -3.716423 -1.384334 ESP Fit Center 6119 is at 0.440380 -4.042696 -1.384334 ESP Fit Center 6120 is at 0.746296 -4.326545 -1.384334 ESP Fit Center 6121 is at 1.091101 -4.561628 -1.384334 ESP Fit Center 6122 is at 1.467092 -4.742696 -1.384334 ESP Fit Center 6123 is at -0.044708 -3.163983 -1.798148 ESP Fit Center 6124 is at 0.140735 -3.538515 -1.798148 ESP Fit Center 6125 is at 0.381176 -3.880351 -1.798148 ESP Fit Center 6126 is at 0.670981 -4.181477 -1.798148 ESP Fit Center 6127 is at 1.003356 -4.434836 -1.798148 ESP Fit Center 6128 is at 1.370511 -4.634488 -1.798148 ESP Fit Center 6129 is at 1.763840 -4.775755 -1.798148 ESP Fit Center 6130 is at 0.008308 -2.948974 -2.198045 ESP Fit Center 6131 is at 0.164825 -3.326840 -2.198045 ESP Fit Center 6132 is at 0.378527 -3.675568 -2.198045 ESP Fit Center 6133 is at 0.644150 -3.986574 -2.198045 ESP Fit Center 6134 is at 0.955155 -4.252197 -2.198045 ESP Fit Center 6135 is at 1.303884 -4.465898 -2.198045 ESP Fit Center 6136 is at 1.681750 -4.622416 -2.198045 ESP Fit Center 6137 is at 0.071051 -1.937894 -2.575090 ESP Fit Center 6138 is at 0.071051 -2.349181 -2.575090 ESP Fit Center 6139 is at 0.140558 -2.754552 -2.575090 ESP Fit Center 6140 is at 0.277575 -3.142345 -2.575090 ESP Fit Center 6141 is at 0.478157 -3.501404 -2.575090 ESP Fit Center 6142 is at 0.736536 -3.821400 -2.575090 ESP Fit Center 6143 is at 1.045277 -4.093127 -2.575090 ESP Fit Center 6144 is at 1.395500 -4.308768 -2.575090 ESP Fit Center 6145 is at 1.777129 -4.462119 -2.575090 ESP Fit Center 6146 is at 4.636754 -1.729242 -2.920861 ESP Fit Center 6147 is at 0.386733 -1.526789 -2.920861 ESP Fit Center 6148 is at 0.307971 -1.935448 -2.920861 ESP Fit Center 6149 is at 0.307971 -2.351627 -2.920861 ESP Fit Center 6150 is at 0.386733 -2.760286 -2.920861 ESP Fit Center 6151 is at 0.541411 -3.146654 -2.920861 ESP Fit Center 6152 is at 0.766415 -3.496767 -2.920861 ESP Fit Center 6153 is at 1.053612 -3.797970 -2.920861 ESP Fit Center 6154 is at 1.392622 -4.039378 -2.920861 ESP Fit Center 6155 is at 1.771192 -4.212266 -2.920861 ESP Fit Center 6156 is at 4.347144 -1.734130 -3.227635 ESP Fit Center 6157 is at 4.215649 -1.343866 -3.227635 ESP Fit Center 6158 is at 4.003332 -0.990993 -3.227635 ESP Fit Center 6159 is at 3.720123 -0.692012 -3.227635 ESP Fit Center 6160 is at 3.379262 -0.460903 -3.227635 ESP Fit Center 6161 is at 2.996690 -0.308472 -3.227635 ESP Fit Center 6162 is at 2.590293 -0.241847 -3.227635 ESP Fit Center 6163 is at 2.179075 -0.264143 -3.227635 ESP Fit Center 6164 is at 1.782264 -0.374317 -3.227635 ESP Fit Center 6165 is at 1.418415 -0.567217 -3.227635 ESP Fit Center 6166 is at 1.104540 -0.833825 -3.227635 ESP Fit Center 6167 is at 0.855316 -1.161674 -3.227635 ESP Fit Center 6168 is at 0.682396 -1.535433 -3.227635 ESP Fit Center 6169 is at 0.593867 -1.937627 -3.227635 ESP Fit Center 6170 is at 0.593867 -2.349449 -3.227635 ESP Fit Center 6171 is at 0.682396 -2.751642 -3.227635 ESP Fit Center 6172 is at 0.855316 -3.125402 -3.227635 ESP Fit Center 6173 is at 1.104540 -3.453250 -3.227635 ESP Fit Center 6174 is at 1.418415 -3.719858 -3.227635 ESP Fit Center 6175 is at 1.782264 -3.912759 -3.227635 ESP Fit Center 6176 is at 2.179075 -4.022933 -3.227635 ESP Fit Center 6177 is at 4.064482 -2.143538 -3.488558 ESP Fit Center 6178 is at 4.010737 -1.735303 -3.488558 ESP Fit Center 6179 is at 3.853165 -1.354890 -3.488558 ESP Fit Center 6180 is at 3.602503 -1.028221 -3.488558 ESP Fit Center 6181 is at 3.275834 -0.777559 -3.488558 ESP Fit Center 6182 is at 2.895420 -0.619987 -3.488558 ESP Fit Center 6183 is at 2.487186 -0.566241 -3.488558 ESP Fit Center 6184 is at 2.078952 -0.619987 -3.488558 ESP Fit Center 6185 is at 1.698538 -0.777559 -3.488558 ESP Fit Center 6186 is at 1.371869 -1.028221 -3.488558 ESP Fit Center 6187 is at 1.121208 -1.354890 -3.488558 ESP Fit Center 6188 is at 0.963635 -1.735303 -3.488558 ESP Fit Center 6189 is at 0.909890 -2.143538 -3.488558 ESP Fit Center 6190 is at 0.963635 -2.551772 -3.488558 ESP Fit Center 6191 is at 1.121208 -2.932186 -3.488558 ESP Fit Center 6192 is at 1.371869 -3.258854 -3.488558 ESP Fit Center 6193 is at 1.698538 -3.509516 -3.488558 ESP Fit Center 6194 is at 2.078952 -3.667089 -3.488558 ESP Fit Center 6195 is at 3.702061 -2.143538 -3.697802 ESP Fit Center 6196 is at 3.628795 -1.728026 -3.697802 ESP Fit Center 6197 is at 3.417834 -1.362631 -3.697802 ESP Fit Center 6198 is at 3.094623 -1.091425 -3.697802 ESP Fit Center 6199 is at 2.698147 -0.947120 -3.697802 ESP Fit Center 6200 is at 2.276225 -0.947120 -3.697802 ESP Fit Center 6201 is at 1.879749 -1.091425 -3.697802 ESP Fit Center 6202 is at 1.556538 -1.362631 -3.697802 ESP Fit Center 6203 is at 1.345578 -1.728026 -3.697802 ESP Fit Center 6204 is at 1.272312 -2.143538 -3.697802 ESP Fit Center 6205 is at 1.345578 -2.559049 -3.697802 ESP Fit Center 6206 is at 1.556538 -2.924444 -3.697802 ESP Fit Center 6207 is at 1.879749 -3.195650 -3.697802 ESP Fit Center 6208 is at 2.276225 -3.339955 -3.697802 ESP Fit Center 6209 is at 2.698147 -3.339955 -3.697802 ESP Fit Center 6210 is at 3.628795 -2.559049 -3.697802 ESP Fit Center 6211 is at 3.312501 -2.143538 -3.850694 ESP Fit Center 6212 is at 3.201929 -1.730880 -3.850694 ESP Fit Center 6213 is at 2.899843 -1.428794 -3.850694 ESP Fit Center 6214 is at 2.487186 -1.318223 -3.850694 ESP Fit Center 6215 is at 2.074529 -1.428794 -3.850694 ESP Fit Center 6216 is at 1.772443 -1.730880 -3.850694 ESP Fit Center 6217 is at 1.661872 -2.143538 -3.850694 ESP Fit Center 6218 is at 1.772443 -2.556195 -3.850694 ESP Fit Center 6219 is at 2.074529 -2.858281 -3.850694 ESP Fit Center 6220 is at 2.487186 -2.968852 -3.850694 ESP Fit Center 6221 is at 2.899843 -2.858281 -3.850694 ESP Fit Center 6222 is at 3.201929 -2.556195 -3.850694 ESP Fit Center 6223 is at 2.904505 -2.143538 -3.943816 ESP Fit Center 6224 is at 2.695845 -1.782129 -3.943816 ESP Fit Center 6225 is at 2.278527 -1.782129 -3.943816 ESP Fit Center 6226 is at 2.069868 -2.143538 -3.943816 ESP Fit Center 6227 is at 2.278527 -2.504946 -3.943816 ESP Fit Center 6228 is at 2.695845 -2.504946 -3.943816 ESP Fit Center 6229 is at 2.487186 -2.143538 -3.975090 ESP Fit Center 6230 is at -0.629266 2.742633 3.219472 ESP Fit Center 6231 is at -0.211947 2.742633 3.188198 ESP Fit Center 6232 is at -0.420606 3.104041 3.188198 ESP Fit Center 6233 is at -0.837925 3.104041 3.188198 ESP Fit Center 6234 is at -1.046584 2.742633 3.188198 ESP Fit Center 6235 is at -0.837925 2.381224 3.188198 ESP Fit Center 6236 is at -0.420606 2.381224 3.188198 ESP Fit Center 6237 is at 0.085478 3.155290 3.095076 ESP Fit Center 6238 is at -0.216608 3.457376 3.095076 ESP Fit Center 6239 is at -0.629266 3.567947 3.095076 ESP Fit Center 6240 is at -1.041923 3.457376 3.095076 ESP Fit Center 6241 is at -1.344009 3.155290 3.095076 ESP Fit Center 6242 is at -1.454580 2.742633 3.095076 ESP Fit Center 6243 is at -1.344009 2.329975 3.095076 ESP Fit Center 6244 is at -1.041923 2.027889 3.095076 ESP Fit Center 6245 is at 0.512343 3.158144 2.942185 ESP Fit Center 6246 is at 0.301382 3.523539 2.942185 ESP Fit Center 6247 is at -0.021828 3.794745 2.942185 ESP Fit Center 6248 is at -0.418305 3.939050 2.942185 ESP Fit Center 6249 is at -0.840226 3.939050 2.942185 ESP Fit Center 6250 is at -1.236703 3.794745 2.942185 ESP Fit Center 6251 is at -1.559913 3.523539 2.942185 ESP Fit Center 6252 is at -1.770874 3.158144 2.942185 ESP Fit Center 6253 is at -1.844140 2.742633 2.942185 ESP Fit Center 6254 is at -1.770874 2.327121 2.942185 ESP Fit Center 6255 is at 0.736713 3.531281 2.732941 ESP Fit Center 6256 is at 0.486051 3.857950 2.732941 ESP Fit Center 6257 is at 0.159382 4.108611 2.732941 ESP Fit Center 6258 is at -0.221031 4.266184 2.732941 ESP Fit Center 6259 is at -0.629266 4.319929 2.732941 ESP Fit Center 6260 is at -1.037500 4.266184 2.732941 ESP Fit Center 6261 is at -1.417914 4.108611 2.732941 ESP Fit Center 6262 is at -1.744582 3.857950 2.732941 ESP Fit Center 6263 is at -1.995244 3.531281 2.732941 ESP Fit Center 6264 is at -2.152817 3.150867 2.732941 ESP Fit Center 6265 is at -2.206562 2.742633 2.732941 ESP Fit Center 6266 is at 0.886881 3.895177 2.472017 ESP Fit Center 6267 is at 0.603671 4.194158 2.472017 ESP Fit Center 6268 is at 0.262811 4.425267 2.472017 ESP Fit Center 6269 is at -0.119762 4.577698 2.472017 ESP Fit Center 6270 is at -0.526159 4.644323 2.472017 ESP Fit Center 6271 is at -0.937377 4.622028 2.472017 ESP Fit Center 6272 is at -1.334188 4.511854 2.472017 ESP Fit Center 6273 is at -1.698037 4.318953 2.472017 ESP Fit Center 6274 is at -2.011912 4.052345 2.472017 ESP Fit Center 6275 is at -2.261136 3.724497 2.472017 ESP Fit Center 6276 is at -2.434056 3.350737 2.472017 ESP Fit Center 6277 is at -2.522585 2.948544 2.472017 ESP Fit Center 6278 is at 0.955081 4.253304 2.165243 ESP Fit Center 6279 is at 0.640553 4.525844 2.165243 ESP Fit Center 6280 is at 0.280131 4.733934 2.165243 ESP Fit Center 6281 is at -0.113159 4.870053 2.165243 ESP Fit Center 6282 is at -0.525103 4.929281 2.165243 ESP Fit Center 6283 is at -0.940811 4.909479 2.165243 ESP Fit Center 6284 is at -1.345259 4.811361 2.165243 ESP Fit Center 6285 is at -1.723830 4.638473 2.165243 ESP Fit Center 6286 is at -2.062840 4.397065 2.165243 ESP Fit Center 6287 is at -2.350037 4.095862 2.165243 ESP Fit Center 6288 is at -2.575040 3.745749 2.165243 ESP Fit Center 6289 is at -2.729719 3.359381 2.165243 ESP Fit Center 6290 is at -2.808481 2.950723 2.165243 ESP Fit Center 6291 is at 0.642112 4.807481 1.819472 ESP Fit Center 6292 is at 0.274863 4.992644 1.819472 ESP Fit Center 6293 is at -0.118396 5.113078 1.819472 ESP Fit Center 6294 is at -0.526351 5.165319 1.819472 ESP Fit Center 6295 is at -0.937268 5.147863 1.819472 ESP Fit Center 6296 is at -1.339323 5.061214 1.819472 ESP Fit Center 6297 is at -1.720952 4.907863 1.819472 ESP Fit Center 6298 is at -2.071174 4.692222 1.819472 ESP Fit Center 6299 is at -2.379916 4.420495 1.819472 ESP Fit Center 6300 is at -2.638295 4.100499 1.819472 ESP Fit Center 6301 is at -2.838877 3.741440 1.819472 ESP Fit Center 6302 is at -2.975893 3.353647 1.819472 ESP Fit Center 6303 is at -3.045401 2.948276 1.819472 ESP Fit Center 6304 is at 0.554036 5.064994 1.442427 ESP Fit Center 6305 is at 0.176171 5.221511 1.442427 ESP Fit Center 6306 is at -0.221528 5.316990 1.442427 ESP Fit Center 6307 is at -0.629266 5.349079 1.442427 ESP Fit Center 6308 is at -1.037004 5.316990 1.442427 ESP Fit Center 6309 is at -1.434702 5.221511 1.442427 ESP Fit Center 6310 is at -1.812568 5.064994 1.442427 ESP Fit Center 6311 is at -2.161296 4.851292 1.442427 ESP Fit Center 6312 is at -2.472302 4.585669 1.442427 ESP Fit Center 6313 is at -2.737925 4.274664 1.442427 ESP Fit Center 6314 is at -2.951626 3.925935 1.442427 ESP Fit Center 6315 is at -3.108144 3.548069 1.442427 ESP Fit Center 6316 is at -3.203622 3.150371 1.442427 ESP Fit Center 6317 is at 0.674813 5.140794 1.042531 ESP Fit Center 6318 is at 0.293452 5.311755 1.042531 ESP Fit Center 6319 is at -0.109536 5.422498 1.042531 ESP Fit Center 6320 is at -0.524707 5.470428 1.042531 ESP Fit Center 6321 is at -0.942328 5.454420 1.042531 ESP Fit Center 6322 is at -1.352612 5.374850 1.042531 ESP Fit Center 6323 is at -1.745940 5.233583 1.042531 ESP Fit Center 6324 is at -2.113095 5.033931 1.042531 ESP Fit Center 6325 is at -2.445471 4.780572 1.042531 ESP Fit Center 6326 is at -2.735275 4.479446 1.042531 ESP Fit Center 6327 is at -2.975717 4.137611 1.042531 ESP Fit Center 6328 is at -3.161160 3.763078 1.042531 ESP Fit Center 6329 is at -3.287258 3.364627 1.042531 ESP Fit Center 6330 is at -3.351054 2.951597 1.042531 ESP Fit Center 6331 is at 0.766820 5.160723 0.628716 ESP Fit Center 6332 is at 0.390829 5.341791 0.628716 ESP Fit Center 6333 is at -0.007949 5.464798 0.628716 ESP Fit Center 6334 is at -0.420606 5.526996 0.628716 ESP Fit Center 6335 is at -0.837925 5.526996 0.628716 ESP Fit Center 6336 is at -1.250582 5.464798 0.628716 ESP Fit Center 6337 is at -1.649360 5.341791 0.628716 ESP Fit Center 6338 is at -2.025351 5.160723 0.628716 ESP Fit Center 6339 is at -2.370156 4.925640 0.628716 ESP Fit Center 6340 is at -2.676072 4.641791 0.628716 ESP Fit Center 6341 is at -2.936265 4.315518 0.628716 ESP Fit Center 6342 is at -3.144924 3.954110 0.628716 ESP Fit Center 6343 is at -3.297388 3.565639 0.628716 ESP Fit Center 6344 is at 0.390829 5.341791 0.210228 ESP Fit Center 6345 is at -0.007949 5.464798 0.210228 ESP Fit Center 6346 is at -0.420606 5.526996 0.210228 ESP Fit Center 6347 is at -0.837925 5.526996 0.210228 ESP Fit Center 6348 is at -1.250582 5.464798 0.210228 ESP Fit Center 6349 is at -1.649360 5.341791 0.210228 ESP Fit Center 6350 is at -2.025351 5.160723 0.210228 ESP Fit Center 6351 is at -2.370156 4.925640 0.210228 ESP Fit Center 6352 is at -2.676072 4.641791 0.210228 ESP Fit Center 6353 is at -2.936265 4.315518 0.210228 ESP Fit Center 6354 is at -3.144924 3.954110 0.210228 ESP Fit Center 6355 is at -3.297388 3.565639 0.210228 ESP Fit Center 6356 is at 0.674813 5.140794 -0.203587 ESP Fit Center 6357 is at 0.293452 5.311755 -0.203587 ESP Fit Center 6358 is at -0.109536 5.422498 -0.203587 ESP Fit Center 6359 is at -0.524707 5.470428 -0.203587 ESP Fit Center 6360 is at -0.942328 5.454420 -0.203587 ESP Fit Center 6361 is at -1.352612 5.374850 -0.203587 ESP Fit Center 6362 is at -1.745940 5.233583 -0.203587 ESP Fit Center 6363 is at -2.113095 5.033931 -0.203587 ESP Fit Center 6364 is at -2.445471 4.780572 -0.203587 ESP Fit Center 6365 is at -2.735275 4.479446 -0.203587 ESP Fit Center 6366 is at -2.975717 4.137611 -0.203587 ESP Fit Center 6367 is at -3.161160 3.763078 -0.203587 ESP Fit Center 6368 is at 0.554036 5.064994 -0.603483 ESP Fit Center 6369 is at 0.176171 5.221511 -0.603483 ESP Fit Center 6370 is at -0.221528 5.316990 -0.603483 ESP Fit Center 6371 is at -0.629266 5.349079 -0.603483 ESP Fit Center 6372 is at -1.037004 5.316990 -0.603483 ESP Fit Center 6373 is at -1.434702 5.221511 -0.603483 ESP Fit Center 6374 is at -1.812568 5.064994 -0.603483 ESP Fit Center 6375 is at -2.161296 4.851292 -0.603483 ESP Fit Center 6376 is at -2.472302 4.585669 -0.603483 ESP Fit Center 6377 is at -2.737925 4.274664 -0.603483 ESP Fit Center 6378 is at -2.951626 3.925935 -0.603483 ESP Fit Center 6379 is at -3.108144 3.548069 -0.603483 ESP Fit Center 6380 is at 0.642112 4.807481 -0.980528 ESP Fit Center 6381 is at 0.274863 4.992644 -0.980528 ESP Fit Center 6382 is at -0.118396 5.113078 -0.980528 ESP Fit Center 6383 is at -0.526351 5.165319 -0.980528 ESP Fit Center 6384 is at -0.937268 5.147863 -0.980528 ESP Fit Center 6385 is at -1.339323 5.061214 -0.980528 ESP Fit Center 6386 is at -1.720952 4.907863 -0.980528 ESP Fit Center 6387 is at -2.071174 4.692222 -0.980528 ESP Fit Center 6388 is at -2.379916 4.420495 -0.980528 ESP Fit Center 6389 is at -2.638295 4.100499 -0.980528 ESP Fit Center 6390 is at -2.838877 3.741440 -0.980528 ESP Fit Center 6391 is at 0.280131 4.733934 -1.326299 ESP Fit Center 6392 is at -0.113159 4.870053 -1.326299 ESP Fit Center 6393 is at -0.525103 4.929281 -1.326299 ESP Fit Center 6394 is at -0.940811 4.909479 -1.326299 ESP Fit Center 6395 is at -1.345259 4.811361 -1.326299 ESP Fit Center 6396 is at -1.723830 4.638473 -1.326299 ESP Fit Center 6397 is at -2.062840 4.397065 -1.326299 ESP Fit Center 6398 is at -2.350037 4.095862 -1.326299 ESP Fit Center 6399 is at -2.575040 3.745749 -1.326299 ESP Fit Center 6400 is at 0.262811 4.425267 -1.633073 ESP Fit Center 6401 is at -0.119762 4.577698 -1.633073 ESP Fit Center 6402 is at -0.526159 4.644323 -1.633073 ESP Fit Center 6403 is at -0.937377 4.622028 -1.633073 ESP Fit Center 6404 is at -1.334188 4.511854 -1.633073 ESP Fit Center 6405 is at -1.698037 4.318953 -1.633073 ESP Fit Center 6406 is at -2.011912 4.052345 -1.633073 ESP Fit Center 6407 is at 0.159382 4.108611 -1.893997 ESP Fit Center 6408 is at -0.221031 4.266184 -1.893997 ESP Fit Center 6409 is at -0.629266 4.319929 -1.893997 ESP Fit Center 6410 is at -1.037500 4.266184 -1.893997 ESP Fit Center 6411 is at -1.417914 4.108611 -1.893997 ESP Fit Center 6412 is at -1.744582 3.857950 -1.893997 ESP Fit Center 6413 is at -0.021828 3.794745 -2.103241 ESP Fit Center 6414 is at -0.418305 3.939050 -2.103241 ESP Fit Center 6415 is at -0.840226 3.939050 -2.103241 ESP Fit Center 6416 is at -1.236703 3.794745 -2.103241 ESP Fit Center 6417 is at -0.216608 3.457376 -2.256132 ESP Fit Center 6418 is at -0.629266 3.567947 -2.256132 ESP Fit Center 6419 is at -1.041923 3.457376 -2.256132 ESP Fit Center 6420 is at 0.121631 1.825883 3.250609 ESP Fit Center 6421 is at 0.530131 1.825883 3.222667 ESP Fit Center 6422 is at 0.325881 2.179654 3.222667 ESP Fit Center 6423 is at -0.082619 2.179654 3.222667 ESP Fit Center 6424 is at -0.286869 1.825883 3.222667 ESP Fit Center 6425 is at -0.082619 1.472111 3.222667 ESP Fit Center 6426 is at 0.325881 1.472111 3.222667 ESP Fit Center 6427 is at 0.931021 1.825883 3.139361 ESP Fit Center 6428 is at 0.822583 2.230578 3.139361 ESP Fit Center 6429 is at 0.526326 2.526835 3.139361 ESP Fit Center 6430 is at 0.121631 2.635273 3.139361 ESP Fit Center 6431 is at -0.687760 1.825883 3.139361 ESP Fit Center 6432 is at -0.579322 1.421187 3.139361 ESP Fit Center 6433 is at -0.283065 1.124930 3.139361 ESP Fit Center 6434 is at 0.121631 1.016492 3.139361 ESP Fit Center 6435 is at 0.526326 1.124930 3.139361 ESP Fit Center 6436 is at 0.822583 1.421187 3.139361 ESP Fit Center 6437 is at 0.719232 2.860959 3.002243 ESP Fit Center 6438 is at 0.719232 0.790806 3.002243 ESP Fit Center 6439 is at 1.037209 1.057621 3.002243 ESP Fit Center 6440 is at 1.185562 0.686691 2.813868 ESP Fit Center 6441 is at 0.224130 3.716370 -2.076525 ESP Fit Center 6442 is at 0.015258 3.381001 -2.312649 ESP Fit Center 6443 is at 0.329175 3.002928 -2.501025 ESP Fit Center 6444 is at -0.085914 3.002928 -2.501025 ESP Fit Center 6445 is at -0.475971 2.860959 -2.501025 ESP Fit Center 6446 is at 0.121631 2.635273 -2.638143 ESP Fit Center 6447 is at -0.283065 2.526835 -2.638143 ESP Fit Center 6448 is at 0.530131 1.825883 -2.721449 ESP Fit Center 6449 is at 0.325881 2.179654 -2.721449 ESP Fit Center 6450 is at -0.082619 2.179654 -2.721449 ESP Fit Center 6451 is at -0.082619 1.472111 -2.721449 ESP Fit Center 6452 is at 0.325881 1.472111 -2.721449 ESP Fit Center 6453 is at 0.121631 1.825883 -2.749391 ESP Fit Center 6454 is at 1.481374 2.059917 3.129290 ESP Fit Center 6455 is at 1.889874 2.059917 3.101348 ESP Fit Center 6456 is at 1.685624 2.413688 3.101348 ESP Fit Center 6457 is at 1.277124 2.413688 3.101348 ESP Fit Center 6458 is at 1.072874 2.059917 3.101348 ESP Fit Center 6459 is at 1.277124 1.706145 3.101348 ESP Fit Center 6460 is at 1.685624 1.706145 3.101348 ESP Fit Center 6461 is at 2.290765 2.059917 3.018042 ESP Fit Center 6462 is at 2.182327 2.464612 3.018042 ESP Fit Center 6463 is at 1.886070 2.760869 3.018042 ESP Fit Center 6464 is at 1.481374 2.869307 3.018042 ESP Fit Center 6465 is at 1.076679 2.760869 3.018042 ESP Fit Center 6466 is at 1.481374 1.250526 3.018042 ESP Fit Center 6467 is at 1.886070 1.358964 3.018042 ESP Fit Center 6468 is at 2.182327 1.655221 3.018042 ESP Fit Center 6469 is at 2.676578 2.059917 2.880924 ESP Fit Center 6470 is at 2.604498 2.468700 2.880924 ESP Fit Center 6471 is at 2.396953 2.828178 2.880924 ESP Fit Center 6472 is at 2.078976 3.094993 2.880924 ESP Fit Center 6473 is at 1.688919 3.236962 2.880924 ESP Fit Center 6474 is at 1.273830 3.236962 2.880924 ESP Fit Center 6475 is at 0.883773 3.094993 2.880924 ESP Fit Center 6476 is at 1.273830 0.882871 2.880924 ESP Fit Center 6477 is at 1.688919 0.882871 2.880924 ESP Fit Center 6478 is at 2.982324 2.480463 2.692549 ESP Fit Center 6479 is at 2.813202 2.869819 2.692549 ESP Fit Center 6480 is at 2.545305 3.199108 2.692549 ESP Fit Center 6481 is at 2.198502 3.443909 2.692549 ESP Fit Center 6482 is at 1.798512 3.586066 2.692549 ESP Fit Center 6483 is at 1.375001 3.615035 2.692549 ESP Fit Center 6484 is at 0.959380 3.528668 2.692549 ESP Fit Center 6485 is at 3.199654 2.854877 2.456424 ESP Fit Center 6486 is at 2.988589 3.205671 2.456424 ESP Fit Center 6487 is at 2.707047 3.502890 2.456424 ESP Fit Center 6488 is at 2.368195 3.732638 2.456424 ESP Fit Center 6489 is at 1.987876 3.884171 2.456424 ESP Fit Center 6490 is at 1.583874 3.950404 2.456424 ESP Fit Center 6491 is at 1.175078 3.928240 2.456424 ESP Fit Center 6492 is at 3.325829 3.245276 2.176950 ESP Fit Center 6493 is at 3.068167 3.572920 2.176950 ESP Fit Center 6494 is at 0.658260 4.593204 -1.250905 ESP Fit Center 6495 is at 3.100629 3.899747 -1.600750 ESP Fit Center 6496 is at 1.170065 4.490975 -1.600750 ESP Fit Center 6497 is at 0.763692 4.403395 -1.600750 ESP Fit Center 6498 is at 3.068167 3.572920 -1.918369 ESP Fit Center 6499 is at 2.753154 3.845881 -1.918369 ESP Fit Center 6500 is at 2.392175 4.054292 -1.918369 ESP Fit Center 6501 is at 1.998278 4.190621 -1.918369 ESP Fit Center 6502 is at 1.585698 4.249941 -1.918369 ESP Fit Center 6503 is at 1.169348 4.230108 -1.918369 ESP Fit Center 6504 is at 0.764275 4.131838 -1.918369 ESP Fit Center 6505 is at 0.385120 3.958684 -1.918369 ESP Fit Center 6506 is at 2.707047 3.502890 -2.197843 ESP Fit Center 6507 is at 2.368195 3.732638 -2.197843 ESP Fit Center 6508 is at 1.987876 3.884171 -2.197843 ESP Fit Center 6509 is at 1.583874 3.950404 -2.197843 ESP Fit Center 6510 is at 1.175078 3.928240 -2.197843 ESP Fit Center 6511 is at 0.780605 3.818715 -2.197843 ESP Fit Center 6512 is at 0.418899 3.626950 -2.197843 ESP Fit Center 6513 is at 2.545305 3.199108 -2.433968 ESP Fit Center 6514 is at 2.198502 3.443909 -2.433968 ESP Fit Center 6515 is at 1.798512 3.586066 -2.433968 ESP Fit Center 6516 is at 1.375001 3.615035 -2.433968 ESP Fit Center 6517 is at 0.959380 3.528668 -2.433968 ESP Fit Center 6518 is at 0.582473 3.333370 -2.433968 ESP Fit Center 6519 is at 2.396953 2.828178 -2.622343 ESP Fit Center 6520 is at 2.078976 3.094993 -2.622343 ESP Fit Center 6521 is at 1.688919 3.236962 -2.622343 ESP Fit Center 6522 is at 1.273830 3.236962 -2.622343 ESP Fit Center 6523 is at 0.883773 3.094993 -2.622343 ESP Fit Center 6524 is at 0.565796 2.828178 -2.622343 ESP Fit Center 6525 is at 2.182327 2.464612 -2.759461 ESP Fit Center 6526 is at 1.886070 2.760869 -2.759461 ESP Fit Center 6527 is at 1.481374 2.869307 -2.759461 ESP Fit Center 6528 is at 1.076679 2.760869 -2.759461 ESP Fit Center 6529 is at 0.780422 2.464612 -2.759461 ESP Fit Center 6530 is at 0.671984 2.059917 -2.759461 ESP Fit Center 6531 is at 0.780422 1.655221 -2.759461 ESP Fit Center 6532 is at 1.076679 1.358964 -2.759461 ESP Fit Center 6533 is at 1.685624 2.413688 -2.842767 ESP Fit Center 6534 is at 1.277124 2.413688 -2.842767 ESP Fit Center 6535 is at 1.072874 2.059917 -2.842767 ESP Fit Center 6536 is at 1.277124 1.706145 -2.842767 ESP Fit Center 6537 is at 1.481374 2.059917 -2.870710 ESP Fit Center 6538 is at 2.482564 1.146168 2.949957 ESP Fit Center 6539 is at 2.891064 1.146168 2.922014 ESP Fit Center 6540 is at 2.686814 1.499939 2.922014 ESP Fit Center 6541 is at 2.278314 0.792397 2.922014 ESP Fit Center 6542 is at 2.686814 0.792397 2.922014 ESP Fit Center 6543 is at 3.291954 1.146168 2.838708 ESP Fit Center 6544 is at 3.183517 1.550863 2.838708 ESP Fit Center 6545 is at 2.887259 1.847121 2.838708 ESP Fit Center 6546 is at 1.781612 0.741473 2.838708 ESP Fit Center 6547 is at 2.077869 0.445215 2.838708 ESP Fit Center 6548 is at 3.677767 1.146168 2.701591 ESP Fit Center 6549 is at 3.605688 1.554952 2.701591 ESP Fit Center 6550 is at 3.398143 1.914430 2.701591 ESP Fit Center 6551 is at 3.080166 2.181244 2.701591 ESP Fit Center 6552 is at 2.989066 2.970422 -2.377177 ESP Fit Center 6553 is at 2.799702 2.672317 -2.613302 ESP Fit Center 6554 is at 3.080166 2.181244 -2.801677 ESP Fit Center 6555 is at 2.690109 2.323213 -2.801677 ESP Fit Center 6556 is at 2.275019 2.323213 -2.801677 ESP Fit Center 6557 is at 1.287361 1.146168 -2.801677 ESP Fit Center 6558 is at 3.291954 1.146168 -2.938795 ESP Fit Center 6559 is at 3.183517 1.550863 -2.938795 ESP Fit Center 6560 is at 2.887259 1.847121 -2.938795 ESP Fit Center 6561 is at 2.482564 1.955558 -2.938795 ESP Fit Center 6562 is at 2.077869 1.847121 -2.938795 ESP Fit Center 6563 is at 1.781612 1.550863 -2.938795 ESP Fit Center 6564 is at 1.673174 1.146168 -2.938795 ESP Fit Center 6565 is at 3.183517 0.741473 -2.938795 ESP Fit Center 6566 is at 2.891064 1.146168 -3.022101 ESP Fit Center 6567 is at 2.686814 1.499939 -3.022101 ESP Fit Center 6568 is at 2.278314 1.499939 -3.022101 ESP Fit Center 6569 is at 2.074064 1.146168 -3.022101 ESP Fit Center 6570 is at 2.278314 0.792397 -3.022101 ESP Fit Center 6571 is at 2.686814 0.792397 -3.022101 ESP Fit Center 6572 is at 2.482564 1.146168 -3.050043 ESP Fit Center 6573 is at 4.054561 1.465396 2.664687 ESP Fit Center 6574 is at 3.845902 1.826804 2.664687 ESP Fit Center 6575 is at 4.462557 1.465396 2.571564 ESP Fit Center 6576 is at 4.351986 1.878053 2.571564 ESP Fit Center 6577 is at 4.049900 2.180139 2.571564 ESP Fit Center 6578 is at 3.637243 2.290710 2.571564 ESP Fit Center 6579 is at 4.852117 1.465396 2.418673 ESP Fit Center 6580 is at 4.778851 1.880907 2.418673 ESP Fit Center 6581 is at 4.567891 2.246302 2.418673 ESP Fit Center 6582 is at 4.244680 2.517508 2.418673 ESP Fit Center 6583 is at 3.848204 2.661813 2.418673 ESP Fit Center 6584 is at 3.426282 2.661813 2.418673 ESP Fit Center 6585 is at 4.778851 1.049884 2.418673 ESP Fit Center 6586 is at 5.214539 1.465396 2.209429 ESP Fit Center 6587 is at 5.160794 1.873630 2.209429 ESP Fit Center 6588 is at 5.003221 2.254044 2.209429 ESP Fit Center 6589 is at 4.752560 2.580712 2.209429 ESP Fit Center 6590 is at 4.425891 2.831374 2.209429 ESP Fit Center 6591 is at 4.045477 2.988947 2.209429 ESP Fit Center 6592 is at 3.637243 3.042692 2.209429 ESP Fit Center 6593 is at 5.160794 1.057161 2.209429 ESP Fit Center 6594 is at 5.541726 1.465396 1.948506 ESP Fit Center 6595 is at 5.497201 1.874803 1.948506 ESP Fit Center 6596 is at 5.365705 2.265068 1.948506 ESP Fit Center 6597 is at 5.153389 2.617940 1.948506 ESP Fit Center 6598 is at 4.870179 2.916921 1.948506 ESP Fit Center 6599 is at 4.529319 3.148030 1.948506 ESP Fit Center 6600 is at 4.146746 3.300461 1.948506 ESP Fit Center 6601 is at 3.740349 3.367086 1.948506 ESP Fit Center 6602 is at 5.497201 1.055988 1.948506 ESP Fit Center 6603 is at 5.826371 1.465396 1.641732 ESP Fit Center 6604 is at 5.786811 1.879691 1.641732 ESP Fit Center 6605 is at 5.669559 2.279012 1.641732 ESP Fit Center 6606 is at 5.478855 2.648928 1.641732 ESP Fit Center 6607 is at 5.221589 2.976067 1.641732 ESP Fit Center 6608 is at 4.907062 3.248607 1.641732 ESP Fit Center 6609 is at 4.546640 3.456697 1.641732 ESP Fit Center 6610 is at 4.153349 3.592816 1.641732 ESP Fit Center 6611 is at 3.741406 3.652044 1.641732 ESP Fit Center 6612 is at 5.669559 0.651779 1.641732 ESP Fit Center 6613 is at 5.786811 1.051100 1.641732 ESP Fit Center 6614 is at 6.062114 1.465396 1.295960 ESP Fit Center 6615 is at 6.027234 1.875201 1.295960 ESP Fit Center 6616 is at 5.923599 2.273217 1.295960 ESP Fit Center 6617 is at 5.754190 2.647993 1.295960 ESP Fit Center 6618 is at 5.523879 2.988748 1.295960 ESP Fit Center 6619 is at 5.239294 3.285679 1.295960 ESP Fit Center 6620 is at 4.908620 3.530244 1.295960 ESP Fit Center 6621 is at 4.541372 3.715407 1.295960 ESP Fit Center 6622 is at 4.148113 3.835841 1.295960 ESP Fit Center 6623 is at 3.740157 3.888082 1.295960 ESP Fit Center 6624 is at 5.923599 0.657575 1.295960 ESP Fit Center 6625 is at 6.027234 1.055590 1.295960 ESP Fit Center 6626 is at 6.243689 1.465396 0.918915 ESP Fit Center 6627 is at 6.211600 1.873134 0.918915 ESP Fit Center 6628 is at 6.116121 2.270832 0.918915 ESP Fit Center 6629 is at 5.959604 2.648698 0.918915 ESP Fit Center 6630 is at 5.745902 2.997426 0.918915 ESP Fit Center 6631 is at 5.480279 3.308432 0.918915 ESP Fit Center 6632 is at 5.169274 3.574055 0.918915 ESP Fit Center 6633 is at 4.820545 3.787756 0.918915 ESP Fit Center 6634 is at 4.442679 3.944274 0.918915 ESP Fit Center 6635 is at 4.044981 4.039752 0.918915 ESP Fit Center 6636 is at 5.959604 0.282094 0.918915 ESP Fit Center 6637 is at 6.116121 0.659959 0.918915 ESP Fit Center 6638 is at 6.211600 1.057658 0.918915 ESP Fit Center 6639 is at 6.367041 1.465396 0.519019 ESP Fit Center 6640 is at 6.335049 1.882097 0.519019 ESP Fit Center 6641 is at 6.239823 2.289032 0.519019 ESP Fit Center 6642 is at 6.083594 2.676661 0.519019 ESP Fit Center 6643 is at 5.870025 3.035899 0.519019 ESP Fit Center 6644 is at 5.604121 3.358326 0.519019 ESP Fit Center 6645 is at 5.292116 3.636385 0.519019 ESP Fit Center 6646 is at 4.941321 3.863557 0.519019 ESP Fit Center 6647 is at 4.559961 4.034518 0.519019 ESP Fit Center 6648 is at 4.156972 4.145261 0.519019 ESP Fit Center 6649 is at 6.083594 0.254130 0.519019 ESP Fit Center 6650 is at 6.239823 0.641759 0.519019 ESP Fit Center 6651 is at 6.335049 1.048694 0.519019 ESP Fit Center 6652 is at 6.429413 1.465396 0.105205 ESP Fit Center 6653 is at 6.398227 1.881547 0.105205 ESP Fit Center 6654 is at 6.305365 2.288402 0.105205 ESP Fit Center 6655 is at 6.152902 2.676873 0.105205 ESP Fit Center 6656 is at 5.944242 3.038281 0.105205 ESP Fit Center 6657 is at 5.684049 3.364554 0.105205 ESP Fit Center 6658 is at 5.378133 3.648403 0.105205 ESP Fit Center 6659 is at 5.033328 3.883486 0.105205 ESP Fit Center 6660 is at 4.657337 4.064554 0.105205 ESP Fit Center 6661 is at 4.258559 4.187561 0.105205 ESP Fit Center 6662 is at 3.845902 4.249759 0.105205 ESP Fit Center 6663 is at 6.152902 0.253918 0.105205 ESP Fit Center 6664 is at 6.305365 0.642389 0.105205 ESP Fit Center 6665 is at 6.398227 1.049244 0.105205 ESP Fit Center 6666 is at 6.429413 1.465396 -0.313284 ESP Fit Center 6667 is at 6.398227 1.881547 -0.313284 ESP Fit Center 6668 is at 6.305365 2.288402 -0.313284 ESP Fit Center 6669 is at 6.152902 2.676873 -0.313284 ESP Fit Center 6670 is at 5.944242 3.038281 -0.313284 ESP Fit Center 6671 is at 5.684049 3.364554 -0.313284 ESP Fit Center 6672 is at 5.378133 3.648403 -0.313284 ESP Fit Center 6673 is at 5.033328 3.883486 -0.313284 ESP Fit Center 6674 is at 4.657337 4.064554 -0.313284 ESP Fit Center 6675 is at 4.258559 4.187561 -0.313284 ESP Fit Center 6676 is at 3.845902 4.249759 -0.313284 ESP Fit Center 6677 is at 6.152902 0.253918 -0.313284 ESP Fit Center 6678 is at 6.305365 0.642389 -0.313284 ESP Fit Center 6679 is at 6.398227 1.049244 -0.313284 ESP Fit Center 6680 is at 6.367041 1.465396 -0.727098 ESP Fit Center 6681 is at 6.335049 1.882097 -0.727098 ESP Fit Center 6682 is at 6.239823 2.289032 -0.727098 ESP Fit Center 6683 is at 6.083594 2.676661 -0.727098 ESP Fit Center 6684 is at 5.870025 3.035899 -0.727098 ESP Fit Center 6685 is at 5.604121 3.358326 -0.727098 ESP Fit Center 6686 is at 5.292116 3.636385 -0.727098 ESP Fit Center 6687 is at 4.941321 3.863557 -0.727098 ESP Fit Center 6688 is at 4.559961 4.034518 -0.727098 ESP Fit Center 6689 is at 4.156972 4.145261 -0.727098 ESP Fit Center 6690 is at 3.741802 4.193191 -0.727098 ESP Fit Center 6691 is at 6.239823 0.641759 -0.727098 ESP Fit Center 6692 is at 6.335049 1.048694 -0.727098 ESP Fit Center 6693 is at 6.243689 1.465396 -1.126995 ESP Fit Center 6694 is at 6.211600 1.873134 -1.126995 ESP Fit Center 6695 is at 6.116121 2.270832 -1.126995 ESP Fit Center 6696 is at 5.959604 2.648698 -1.126995 ESP Fit Center 6697 is at 5.745902 2.997426 -1.126995 ESP Fit Center 6698 is at 5.480279 3.308432 -1.126995 ESP Fit Center 6699 is at 5.169274 3.574055 -1.126995 ESP Fit Center 6700 is at 4.820545 3.787756 -1.126995 ESP Fit Center 6701 is at 4.442679 3.944274 -1.126995 ESP Fit Center 6702 is at 4.044981 4.039752 -1.126995 ESP Fit Center 6703 is at 3.637243 4.071842 -1.126995 ESP Fit Center 6704 is at 6.116121 0.659959 -1.126995 ESP Fit Center 6705 is at 6.211600 1.057658 -1.126995 ESP Fit Center 6706 is at 6.062114 1.465396 -1.504040 ESP Fit Center 6707 is at 6.027234 1.875201 -1.504040 ESP Fit Center 6708 is at 5.923599 2.273217 -1.504040 ESP Fit Center 6709 is at 5.754190 2.647993 -1.504040 ESP Fit Center 6710 is at 5.523879 2.988748 -1.504040 ESP Fit Center 6711 is at 5.239294 3.285679 -1.504040 ESP Fit Center 6712 is at 4.908620 3.530244 -1.504040 ESP Fit Center 6713 is at 4.541372 3.715407 -1.504040 ESP Fit Center 6714 is at 4.148113 3.835841 -1.504040 ESP Fit Center 6715 is at 3.740157 3.888082 -1.504040 ESP Fit Center 6716 is at 3.329241 3.870626 -1.504040 ESP Fit Center 6717 is at 5.923599 0.657575 -1.504040 ESP Fit Center 6718 is at 6.027234 1.055590 -1.504040 ESP Fit Center 6719 is at 5.826371 1.465396 -1.849811 ESP Fit Center 6720 is at 5.786811 1.879691 -1.849811 ESP Fit Center 6721 is at 5.669559 2.279012 -1.849811 ESP Fit Center 6722 is at 5.478855 2.648928 -1.849811 ESP Fit Center 6723 is at 5.221589 2.976067 -1.849811 ESP Fit Center 6724 is at 4.907062 3.248607 -1.849811 ESP Fit Center 6725 is at 4.546640 3.456697 -1.849811 ESP Fit Center 6726 is at 4.153349 3.592816 -1.849811 ESP Fit Center 6727 is at 3.741406 3.652044 -1.849811 ESP Fit Center 6728 is at 3.325697 3.632242 -1.849811 ESP Fit Center 6729 is at 5.669559 0.651779 -1.849811 ESP Fit Center 6730 is at 5.786811 1.051100 -1.849811 ESP Fit Center 6731 is at 5.541726 1.465396 -2.156585 ESP Fit Center 6732 is at 5.497201 1.874803 -2.156585 ESP Fit Center 6733 is at 5.365705 2.265068 -2.156585 ESP Fit Center 6734 is at 5.153389 2.617940 -2.156585 ESP Fit Center 6735 is at 4.870179 2.916921 -2.156585 ESP Fit Center 6736 is at 4.529319 3.148030 -2.156585 ESP Fit Center 6737 is at 4.146746 3.300461 -2.156585 ESP Fit Center 6738 is at 3.740349 3.367086 -2.156585 ESP Fit Center 6739 is at 3.329132 3.344791 -2.156585 ESP Fit Center 6740 is at 5.365705 0.665724 -2.156585 ESP Fit Center 6741 is at 5.497201 1.055988 -2.156585 ESP Fit Center 6742 is at 5.214539 1.465396 -2.417508 ESP Fit Center 6743 is at 5.160794 1.873630 -2.417508 ESP Fit Center 6744 is at 5.003221 2.254044 -2.417508 ESP Fit Center 6745 is at 4.752560 2.580712 -2.417508 ESP Fit Center 6746 is at 4.425891 2.831374 -2.417508 ESP Fit Center 6747 is at 4.045477 2.988947 -2.417508 ESP Fit Center 6748 is at 3.637243 3.042692 -2.417508 ESP Fit Center 6749 is at 3.229009 2.988947 -2.417508 ESP Fit Center 6750 is at 5.003221 0.676748 -2.417508 ESP Fit Center 6751 is at 5.160794 1.057161 -2.417508 ESP Fit Center 6752 is at 4.852117 1.465396 -2.626753 ESP Fit Center 6753 is at 4.778851 1.880907 -2.626753 ESP Fit Center 6754 is at 4.567891 2.246302 -2.626753 ESP Fit Center 6755 is at 4.244680 2.517508 -2.626753 ESP Fit Center 6756 is at 3.848204 2.661813 -2.626753 ESP Fit Center 6757 is at 3.426282 2.661813 -2.626753 ESP Fit Center 6758 is at 4.567891 0.684489 -2.626753 ESP Fit Center 6759 is at 4.778851 1.049884 -2.626753 ESP Fit Center 6760 is at 4.462557 1.465396 -2.779644 ESP Fit Center 6761 is at 4.351986 1.878053 -2.779644 ESP Fit Center 6762 is at 4.049900 2.180139 -2.779644 ESP Fit Center 6763 is at 3.637243 2.290710 -2.779644 ESP Fit Center 6764 is at 3.224586 2.180139 -2.779644 ESP Fit Center 6765 is at 3.637243 0.640081 -2.779644 ESP Fit Center 6766 is at 4.049900 0.750652 -2.779644 ESP Fit Center 6767 is at 4.351986 1.052738 -2.779644 ESP Fit Center 6768 is at 4.054561 1.465396 -2.872766 ESP Fit Center 6769 is at 3.845902 1.826804 -2.872766 ESP Fit Center 6770 is at 3.428584 1.826804 -2.872766 ESP Fit Center 6771 is at 3.845902 1.103987 -2.872766 ESP Fit Center 6772 is at 3.637243 1.465396 -2.904040 ESP Fit Center 6773 is at 1.845360 0.203955 2.822549 ESP Fit Center 6774 is at 1.641110 -0.149816 2.822549 ESP Fit Center 6775 is at 1.452008 0.885260 -2.901142 ESP Fit Center 6776 is at 1.134031 0.618446 -2.901142 ESP Fit Center 6777 is at 2.750562 0.254879 -3.038260 ESP Fit Center 6778 is at 2.454305 0.551136 -3.038260 ESP Fit Center 6779 is at 2.049610 0.659574 -3.038260 ESP Fit Center 6780 is at 1.644915 0.551136 -3.038260 ESP Fit Center 6781 is at 1.348657 0.254879 -3.038260 ESP Fit Center 6782 is at 1.240219 -0.149816 -3.038260 ESP Fit Center 6783 is at 2.253860 0.203955 -3.121566 ESP Fit Center 6784 is at 1.845360 0.203955 -3.121566 ESP Fit Center 6785 is at 1.641110 -0.149816 -3.121566 ESP Fit Center 6786 is at 2.049610 -0.149816 -3.149508 ESP Fit Center 6787 is at 0.709342 -0.475645 2.967403 ESP Fit Center 6788 is at 1.117842 -0.475645 2.939461 ESP Fit Center 6789 is at 0.913592 -0.121873 2.939461 ESP Fit Center 6790 is at 0.505092 -0.829416 2.939461 ESP Fit Center 6791 is at 0.913592 -0.829416 2.939461 ESP Fit Center 6792 is at 1.410295 -0.070950 2.856155 ESP Fit Center 6793 is at 1.114038 0.225308 2.856155 ESP Fit Center 6794 is at 0.304647 -1.176597 2.856155 ESP Fit Center 6795 is at 0.709342 -1.285035 2.856155 ESP Fit Center 6796 is at 0.501798 -1.652690 2.719037 ESP Fit Center 6797 is at -0.353133 -2.042678 -2.359731 ESP Fit Center 6798 is at -0.189559 -1.749098 -2.595855 ESP Fit Center 6799 is at 0.501798 0.701401 -2.784231 ESP Fit Center 6800 is at -0.206236 -1.243907 -2.784231 ESP Fit Center 6801 is at 0.111741 -1.510721 -2.784231 ESP Fit Center 6802 is at 0.709342 0.333746 -2.921349 ESP Fit Center 6803 is at 0.304647 0.225308 -2.921349 ESP Fit Center 6804 is at 0.008390 -0.070950 -2.921349 ESP Fit Center 6805 is at -0.100048 -0.475645 -2.921349 ESP Fit Center 6806 is at 0.008390 -0.880340 -2.921349 ESP Fit Center 6807 is at 0.304647 -1.176597 -2.921349 ESP Fit Center 6808 is at 1.117842 -0.475645 -3.004655 ESP Fit Center 6809 is at 0.913592 -0.121873 -3.004655 ESP Fit Center 6810 is at 0.505092 -0.121873 -3.004655 ESP Fit Center 6811 is at 0.300842 -0.475645 -3.004655 ESP Fit Center 6812 is at 0.505092 -0.829416 -3.004655 ESP Fit Center 6813 is at 0.709342 -0.475645 -3.032597 ESP Fit Center 6814 is at -0.266661 0.411243 3.159116 ESP Fit Center 6815 is at 0.141839 0.411243 3.131174 ESP Fit Center 6816 is at -0.062411 0.765014 3.131174 ESP Fit Center 6817 is at -0.470911 0.765014 3.131174 ESP Fit Center 6818 is at -0.675161 0.411243 3.131174 ESP Fit Center 6819 is at -0.470911 0.057471 3.131174 ESP Fit Center 6820 is at -0.062411 0.057471 3.131174 ESP Fit Center 6821 is at 0.542729 0.411243 3.047868 ESP Fit Center 6822 is at 0.138034 -0.289710 3.047868 ESP Fit Center 6823 is at 0.434291 0.006548 3.047868 ESP Fit Center 6824 is at 0.928542 0.411243 2.910750 ESP Fit Center 6825 is at 0.434291 0.815938 -2.729636 ESP Fit Center 6826 is at 0.138034 1.112195 -2.729636 ESP Fit Center 6827 is at -0.062411 0.765014 -2.812942 ESP Fit Center 6828 is at 6.158527 -0.720816 0.038108 ESP Fit Center 6829 is at 6.117772 -0.294005 0.038108 ESP Fit Center 6830 is at 6.266804 -0.720816 -0.365984 ESP Fit Center 6831 is at 6.228821 -0.298790 -0.365984 ESP Fit Center 6832 is at 6.116092 0.109672 -0.365984 ESP Fit Center 6833 is at 6.116092 -1.551304 -0.365984 ESP Fit Center 6834 is at 6.228821 -1.142842 -0.365984 ESP Fit Center 6835 is at 6.303265 -0.720816 -0.782740 ESP Fit Center 6836 is at 6.266804 -0.304060 -0.782740 ESP Fit Center 6837 is at 6.158527 0.100033 -0.782740 ESP Fit Center 6838 is at 5.981726 -1.920816 -0.782740 ESP Fit Center 6839 is at 6.158527 -1.541664 -0.782740 ESP Fit Center 6840 is at 6.266804 -1.137571 -0.782740 ESP Fit Center 6841 is at 6.266804 -0.720816 -1.199496 ESP Fit Center 6842 is at 6.228821 -0.298790 -1.199496 ESP Fit Center 6843 is at 6.116092 0.109672 -1.199496 ESP Fit Center 6844 is at 5.932242 -1.933073 -1.199496 ESP Fit Center 6845 is at 6.116092 -1.551304 -1.199496 ESP Fit Center 6846 is at 6.228821 -1.142842 -1.199496 ESP Fit Center 6847 is at 6.158527 -0.720816 -1.603588 ESP Fit Center 6848 is at 6.117772 -0.294005 -1.603588 ESP Fit Center 6849 is at 5.996978 0.117381 -1.603588 ESP Fit Center 6850 is at 5.800513 0.498471 -1.603588 ESP Fit Center 6851 is at 5.800513 -1.940103 -1.603588 ESP Fit Center 6852 is at 5.996978 -1.559012 -1.603588 ESP Fit Center 6853 is at 6.117772 -1.147627 -1.603588 ESP Fit Center 6854 is at 5.981726 -0.720816 -1.982740 ESP Fit Center 6855 is at 5.939180 -0.302425 -1.982740 ESP Fit Center 6856 is at 5.813283 0.098837 -1.982740 ESP Fit Center 6857 is at 5.609190 0.466543 -1.982740 ESP Fit Center 6858 is at 5.609190 -1.908174 -1.982740 ESP Fit Center 6859 is at 5.813283 -1.540469 -1.982740 ESP Fit Center 6860 is at 5.939180 -1.139207 -1.982740 ESP Fit Center 6861 is at 5.741772 -0.720816 -2.325430 ESP Fit Center 6862 is at 5.692215 -0.296827 -2.325430 ESP Fit Center 6863 is at 5.546215 0.104305 -2.325430 ESP Fit Center 6864 is at 5.311643 0.460954 -2.325430 ESP Fit Center 6865 is at 5.311643 -1.902585 -2.325430 ESP Fit Center 6866 is at 5.546215 -1.545936 -2.325430 ESP Fit Center 6867 is at 5.692215 -1.144805 -2.325430 ESP Fit Center 6868 is at 5.445955 -0.720816 -2.621247 ESP Fit Center 6869 is at 5.388748 -0.304603 -2.621247 ESP Fit Center 6870 is at 5.221370 0.080741 -2.621247 ESP Fit Center 6871 is at 4.956233 0.406638 -2.621247 ESP Fit Center 6872 is at 4.613003 0.648916 -2.621247 ESP Fit Center 6873 is at 4.956233 -1.848269 -2.621247 ESP Fit Center 6874 is at 5.221370 -1.522373 -2.621247 ESP Fit Center 6875 is at 5.388748 -1.137029 -2.621247 ESP Fit Center 6876 is at 5.103265 -0.720816 -2.861201 ESP Fit Center 6877 is at 5.030896 -0.310392 -2.861201 ESP Fit Center 6878 is at 4.822518 0.050529 -2.861201 ESP Fit Center 6879 is at 4.503265 0.318415 -2.861201 ESP Fit Center 6880 is at 4.111643 0.460954 -2.861201 ESP Fit Center 6881 is at 3.694887 0.460954 -2.861201 ESP Fit Center 6882 is at 4.822518 -1.492161 -2.861201 ESP Fit Center 6883 is at 5.030896 -1.131240 -2.861201 ESP Fit Center 6884 is at 4.724113 -0.720816 -3.038002 ESP Fit Center 6885 is at 4.614141 -0.310392 -3.038002 ESP Fit Center 6886 is at 4.313689 -0.009940 -3.038002 ESP Fit Center 6887 is at 3.903265 0.100033 -3.038002 ESP Fit Center 6888 is at 4.614141 -1.131240 -3.038002 ESP Fit Center 6889 is at 4.320021 -0.720816 -3.146279 ESP Fit Center 6890 is at 4.111643 -0.359895 -3.146279 ESP Fit Center 6891 is at 3.694887 -0.359895 -3.146279 ESP Fit Center 6892 is at 3.903265 -0.720816 -3.182740 ESP Fit Center 6893 is at 3.882741 -1.049265 4.061151 ESP Fit Center 6894 is at 4.299496 -1.049265 4.024690 ESP Fit Center 6895 is at 4.091118 -0.688344 4.024690 ESP Fit Center 6896 is at 3.674363 -0.688344 4.024690 ESP Fit Center 6897 is at 3.465985 -1.049265 4.024690 ESP Fit Center 6898 is at 3.674363 -1.410186 4.024690 ESP Fit Center 6899 is at 4.091118 -1.410186 4.024690 ESP Fit Center 6900 is at 4.703589 -1.049265 3.916413 ESP Fit Center 6901 is at 4.593616 -0.638841 3.916413 ESP Fit Center 6902 is at 4.293165 -0.338389 3.916413 ESP Fit Center 6903 is at 3.882741 -0.228416 3.916413 ESP Fit Center 6904 is at 3.472316 -0.338389 3.916413 ESP Fit Center 6905 is at 3.171865 -0.638841 3.916413 ESP Fit Center 6906 is at 3.061892 -1.049265 3.916413 ESP Fit Center 6907 is at 4.293165 -1.760140 3.916413 ESP Fit Center 6908 is at 4.593616 -1.459689 3.916413 ESP Fit Center 6909 is at 5.082741 -1.049265 3.739612 ESP Fit Center 6910 is at 5.010372 -0.638841 3.739612 ESP Fit Center 6911 is at 4.801994 -0.277920 3.739612 ESP Fit Center 6912 is at 4.482741 -0.010034 3.739612 ESP Fit Center 6913 is at 4.091118 0.132505 3.739612 ESP Fit Center 6914 is at 3.674363 0.132505 3.739612 ESP Fit Center 6915 is at 3.282741 -0.010034 3.739612 ESP Fit Center 6916 is at 2.963487 -0.277920 3.739612 ESP Fit Center 6917 is at 2.755109 -0.638841 3.739612 ESP Fit Center 6918 is at 4.801994 -1.820610 3.739612 ESP Fit Center 6919 is at 5.010372 -1.459689 3.739612 ESP Fit Center 6920 is at 5.425431 -1.049265 3.499658 ESP Fit Center 6921 is at 5.368224 -0.633052 3.499658 ESP Fit Center 6922 is at 5.200845 -0.247708 3.499658 ESP Fit Center 6923 is at 4.935709 0.078189 3.499658 ESP Fit Center 6924 is at 4.592478 0.320467 3.499658 ESP Fit Center 6925 is at 4.196610 0.461159 3.499658 ESP Fit Center 6926 is at 3.777464 0.489829 3.499658 ESP Fit Center 6927 is at 3.366125 0.404352 3.499658 ESP Fit Center 6928 is at 2.993102 0.211067 3.499658 ESP Fit Center 6929 is at 2.686058 -0.075692 3.499658 ESP Fit Center 6930 is at 2.467768 -0.434655 3.499658 ESP Fit Center 6931 is at 5.200845 -1.850822 3.499658 ESP Fit Center 6932 is at 5.368224 -1.465478 3.499658 ESP Fit Center 6933 is at 5.721247 -1.049265 3.203841 ESP Fit Center 6934 is at 5.671690 -0.625276 3.203841 ESP Fit Center 6935 is at 5.525690 -0.224144 3.203841 ESP Fit Center 6936 is at 5.291118 0.132505 3.203841 ESP Fit Center 6937 is at 4.980621 0.425444 3.203841 ESP Fit Center 6938 is at 4.610936 0.638882 3.203841 ESP Fit Center 6939 is at 4.201994 0.761311 3.203841 ESP Fit Center 6940 is at 3.775841 0.786131 3.203841 ESP Fit Center 6941 is at 3.355451 0.712005 3.203841 ESP Fit Center 6942 is at 2.963487 0.542929 3.203841 ESP Fit Center 6943 is at 2.621081 0.288017 3.203841 ESP Fit Center 6944 is at 2.346691 -0.038989 3.203841 ESP Fit Center 6945 is at 5.525690 -1.874385 3.203841 ESP Fit Center 6946 is at 5.671690 -1.473254 3.203841 ESP Fit Center 6947 is at 5.961202 -1.049265 2.861151 ESP Fit Center 6948 is at 5.918655 -0.630874 2.861151 ESP Fit Center 6949 is at 5.792759 -0.229612 2.861151 ESP Fit Center 6950 is at 5.588665 0.138094 2.861151 ESP Fit Center 6951 is at 5.314731 0.457189 2.861151 ESP Fit Center 6952 is at 4.982172 0.714609 2.861151 ESP Fit Center 6953 is at 4.604601 0.899816 2.861151 ESP Fit Center 6954 is at 4.197477 1.005228 2.861151 ESP Fit Center 6955 is at 3.777468 1.026529 2.861151 ESP Fit Center 6956 is at 3.361769 0.962846 2.861151 ESP Fit Center 6957 is at 2.305691 0.304588 2.861151 ESP Fit Center 6958 is at 5.918655 -1.467656 2.861151 ESP Fit Center 6959 is at 6.138003 -1.049265 2.481999 ESP Fit Center 6960 is at 6.097247 -0.622454 2.481999 ESP Fit Center 6961 is at 5.976454 -0.211068 2.481999 ESP Fit Center 6962 is at 5.779988 0.170022 2.481999 ESP Fit Center 6963 is at 5.514951 0.507044 2.481999 ESP Fit Center 6964 is at 5.190921 0.787818 2.481999 ESP Fit Center 6965 is at 4.819610 1.002194 2.481999 ESP Fit Center 6966 is at 6.097247 -1.476076 2.481999 ESP Fit Center 6967 is at 6.246279 -1.049265 2.077907 ESP Fit Center 6968 is at 6.208296 -0.627239 2.077907 ESP Fit Center 6969 is at 6.095568 -0.218777 2.077907 ESP Fit Center 6970 is at 5.911718 0.162992 2.077907 ESP Fit Center 6971 is at 5.662654 0.505799 2.077907 ESP Fit Center 6972 is at 5.356383 0.798624 2.077907 ESP Fit Center 6973 is at 6.246279 -0.632509 1.661151 ESP Fit Center 6974 is at 6.138003 -0.228416 1.661151 ESP Fit Center 6975 is at 5.961202 0.150735 1.661151 ESP Fit Center 6976 is at 5.721247 0.493425 1.661151 ESP Fit Center 6977 is at 6.208296 -0.627239 1.244395 ESP Fit Center 6978 is at 6.095568 -0.218777 1.244395 ESP Fit Center 6979 is at 5.911718 0.162992 1.244395 ESP Fit Center 6980 is at 4.524965 -4.088252 2.700312 ESP Fit Center 6981 is at 4.920834 -3.947561 2.700312 ESP Fit Center 6982 is at 5.264064 -3.705282 2.700312 ESP Fit Center 6983 is at 5.529200 -3.379386 2.700312 ESP Fit Center 6984 is at 5.696579 -2.994042 2.700312 ESP Fit Center 6985 is at 6.049602 -2.577829 2.404496 ESP Fit Center 6986 is at 4.104196 -4.413225 2.404496 ESP Fit Center 6987 is at 4.530349 -4.388404 2.404496 ESP Fit Center 6988 is at 4.939291 -4.265975 2.404496 ESP Fit Center 6989 is at 5.308976 -4.052538 2.404496 ESP Fit Center 6990 is at 5.619474 -3.759598 2.404496 ESP Fit Center 6991 is at 5.854045 -3.402949 2.404496 ESP Fit Center 6992 is at 6.000045 -3.001818 2.404496 ESP Fit Center 6993 is at 6.289557 -2.577829 2.061806 ESP Fit Center 6994 is at 4.105824 -4.653622 2.061806 ESP Fit Center 6995 is at 4.525833 -4.632322 2.061806 ESP Fit Center 6996 is at 4.932956 -4.526910 2.061806 ESP Fit Center 6997 is at 5.310527 -4.341703 2.061806 ESP Fit Center 6998 is at 5.643087 -4.084282 2.061806 ESP Fit Center 6999 is at 5.917021 -3.765187 2.061806 ESP Fit Center 7000 is at 6.121114 -3.397482 2.061806 ESP Fit Center 7001 is at 6.247011 -2.996220 2.061806 ESP Fit Center 7002 is at 6.466358 -2.577829 1.682654 ESP Fit Center 7003 is at 6.425603 -2.151018 1.682654 ESP Fit Center 7004 is at 3.890139 -4.810136 1.682654 ESP Fit Center 7005 is at 4.318406 -4.830537 1.682654 ESP Fit Center 7006 is at 4.742794 -4.769519 1.682654 ESP Fit Center 7007 is at 5.147966 -4.629287 1.682654 ESP Fit Center 7008 is at 5.519276 -4.414911 1.682654 ESP Fit Center 7009 is at 5.843306 -4.134138 1.682654 ESP Fit Center 7010 is at 6.108343 -3.797116 1.682654 ESP Fit Center 7011 is at 6.304809 -3.416025 1.682654 ESP Fit Center 7012 is at 6.425603 -3.004640 1.682654 ESP Fit Center 7013 is at 6.574634 -2.577829 1.278561 ESP Fit Center 7014 is at 6.536651 -2.155803 1.278561 ESP Fit Center 7015 is at 3.685159 -4.882109 1.278561 ESP Fit Center 7016 is at 4.105056 -4.938987 1.278561 ESP Fit Center 7017 is at 4.528361 -4.919977 1.278561 ESP Fit Center 7018 is at 4.941469 -4.825688 1.278561 ESP Fit Center 7019 is at 5.331103 -4.659150 1.278561 ESP Fit Center 7020 is at 5.684738 -4.425718 1.278561 ESP Fit Center 7021 is at 5.991009 -4.132892 1.278561 ESP Fit Center 7022 is at 6.240073 -3.790086 1.278561 ESP Fit Center 7023 is at 6.423923 -3.408317 1.278561 ESP Fit Center 7024 is at 6.536651 -2.999855 1.278561 ESP Fit Center 7025 is at 6.611096 -2.577829 0.861806 ESP Fit Center 7026 is at 6.574634 -2.161073 0.861806 ESP Fit Center 7027 is at 6.466358 -1.756980 0.861806 ESP Fit Center 7028 is at 3.390247 -4.833091 0.861806 ESP Fit Center 7029 is at 3.794340 -4.941367 0.861806 ESP Fit Center 7030 is at 4.211096 -4.977829 0.861806 ESP Fit Center 7031 is at 4.627851 -4.941367 0.861806 ESP Fit Center 7032 is at 5.031944 -4.833091 0.861806 ESP Fit Center 7033 is at 5.411096 -4.656290 0.861806 ESP Fit Center 7034 is at 5.753786 -4.416335 0.861806 ESP Fit Center 7035 is at 6.049602 -4.120519 0.861806 ESP Fit Center 7036 is at 6.289557 -3.777829 0.861806 ESP Fit Center 7037 is at 6.466358 -3.398677 0.861806 ESP Fit Center 7038 is at 6.574634 -2.994584 0.861806 ESP Fit Center 7039 is at 6.574634 -2.577829 0.445050 ESP Fit Center 7040 is at 6.536651 -2.155803 0.445050 ESP Fit Center 7041 is at 6.423923 -1.747341 0.445050 ESP Fit Center 7042 is at 3.282166 -4.751168 0.445050 ESP Fit Center 7043 is at 3.685159 -4.882109 0.445050 ESP Fit Center 7044 is at 4.105056 -4.938987 0.445050 ESP Fit Center 7045 is at 4.528361 -4.919977 0.445050 ESP Fit Center 7046 is at 4.941469 -4.825688 0.445050 ESP Fit Center 7047 is at 5.331103 -4.659150 0.445050 ESP Fit Center 7048 is at 5.684738 -4.425718 0.445050 ESP Fit Center 7049 is at 5.991009 -4.132892 0.445050 ESP Fit Center 7050 is at 6.240073 -3.790086 0.445050 ESP Fit Center 7051 is at 6.423923 -3.408317 0.445050 ESP Fit Center 7052 is at 6.536651 -2.999855 0.445050 ESP Fit Center 7053 is at 6.466358 -2.577829 0.040957 ESP Fit Center 7054 is at 6.425603 -2.151018 0.040957 ESP Fit Center 7055 is at 6.304809 -1.739632 0.040957 ESP Fit Center 7056 is at 3.890139 -4.810136 0.040957 ESP Fit Center 7057 is at 4.318406 -4.830537 0.040957 ESP Fit Center 7058 is at 4.742794 -4.769519 0.040957 ESP Fit Center 7059 is at 5.147966 -4.629287 0.040957 ESP Fit Center 7060 is at 5.519276 -4.414911 0.040957 ESP Fit Center 7061 is at 5.843306 -4.134138 0.040957 ESP Fit Center 7062 is at 6.108343 -3.797116 0.040957 ESP Fit Center 7063 is at 6.304809 -3.416025 0.040957 ESP Fit Center 7064 is at 6.425603 -3.004640 0.040957 ESP Fit Center 7065 is at 6.289557 -2.577829 -0.338194 ESP Fit Center 7066 is at 6.247011 -2.159438 -0.338194 ESP Fit Center 7067 is at 4.525833 -4.632322 -0.338194 ESP Fit Center 7068 is at 4.932956 -4.526910 -0.338194 ESP Fit Center 7069 is at 5.310527 -4.341703 -0.338194 ESP Fit Center 7070 is at 5.643087 -4.084282 -0.338194 ESP Fit Center 7071 is at 5.917021 -3.765187 -0.338194 ESP Fit Center 7072 is at 6.121114 -3.397482 -0.338194 ESP Fit Center 7073 is at 6.247011 -2.996220 -0.338194 ESP Fit Center 7074 is at 6.049602 -2.577829 -0.680885 ESP Fit Center 7075 is at 6.000045 -2.153840 -0.680885 ESP Fit Center 7076 is at 4.939291 -4.265975 -0.680885 ESP Fit Center 7077 is at 5.308976 -4.052538 -0.680885 ESP Fit Center 7078 is at 5.619474 -3.759598 -0.680885 ESP Fit Center 7079 is at 5.854045 -3.402949 -0.680885 ESP Fit Center 7080 is at 6.000045 -3.001818 -0.680885 ESP Fit Center 7081 is at 5.753786 -2.577829 -0.976701 ESP Fit Center 7082 is at 5.529200 -3.379386 -0.976701 ESP Fit Center 7083 is at 5.696579 -2.994042 -0.976701 ESP Fit Center 7084 is at 2.696322 3.781990 2.279871 ESP Fit Center 7085 is at 2.377069 4.049876 2.279871 ESP Fit Center 7086 is at 1.985447 4.192414 2.279871 ESP Fit Center 7087 is at 1.568691 4.192414 2.279871 ESP Fit Center 7088 is at 3.095173 3.812202 2.039917 ESP Fit Center 7089 is at 2.830037 4.138099 2.039917 ESP Fit Center 7090 is at 2.486807 4.380377 2.039917 ESP Fit Center 7091 is at 2.090938 4.521069 2.039917 ESP Fit Center 7092 is at 1.671792 4.549739 2.039917 ESP Fit Center 7093 is at 1.260453 4.464262 2.039917 ESP Fit Center 7094 is at 3.420018 3.835765 1.744100 ESP Fit Center 7095 is at 3.185447 4.192414 1.744100 ESP Fit Center 7096 is at 2.874949 4.485354 1.744100 ESP Fit Center 7097 is at 2.505264 4.698792 1.744100 ESP Fit Center 7098 is at 2.096322 4.821221 1.744100 ESP Fit Center 7099 is at 1.670169 4.846041 1.744100 ESP Fit Center 7100 is at 1.249779 4.771915 1.744100 ESP Fit Center 7101 is at 3.687087 3.830298 1.401410 ESP Fit Center 7102 is at 3.482994 4.198004 1.401410 ESP Fit Center 7103 is at 3.209060 4.517099 1.401410 ESP Fit Center 7104 is at 2.876500 4.774519 1.401410 ESP Fit Center 7105 is at 2.498929 4.959726 1.401410 ESP Fit Center 7106 is at 2.091806 5.065138 1.401410 ESP Fit Center 7107 is at 1.671797 5.086438 1.401410 ESP Fit Center 7108 is at 1.256097 5.022756 1.401410 ESP Fit Center 7109 is at 3.674316 4.229932 1.022258 ESP Fit Center 7110 is at 3.409279 4.566954 1.022258 ESP Fit Center 7111 is at 3.085249 4.847728 1.022258 ESP Fit Center 7112 is at 2.713939 5.062104 1.022258 ESP Fit Center 7113 is at 2.308767 5.202335 1.022258 ESP Fit Center 7114 is at 1.884379 5.263353 1.022258 ESP Fit Center 7115 is at 1.456112 5.242952 1.022258 ESP Fit Center 7116 is at 1.039445 5.141870 1.022258 ESP Fit Center 7117 is at 3.806046 4.222902 0.618166 ESP Fit Center 7118 is at 3.556982 4.565709 0.618166 ESP Fit Center 7119 is at 3.250711 4.858534 0.618166 ESP Fit Center 7120 is at 2.897076 5.091967 0.618166 ESP Fit Center 7121 is at 2.507442 5.258504 0.618166 ESP Fit Center 7122 is at 2.094334 5.352793 0.618166 ESP Fit Center 7123 is at 1.671029 5.371804 0.618166 ESP Fit Center 7124 is at 1.251132 5.314925 0.618166 ESP Fit Center 7125 is at 0.848139 5.183985 0.618166 ESP Fit Center 7126 is at 3.615576 4.553335 0.201410 ESP Fit Center 7127 is at 3.319759 4.849152 0.201410 ESP Fit Center 7128 is at 2.977069 5.089106 0.201410 ESP Fit Center 7129 is at 2.597917 5.265907 0.201410 ESP Fit Center 7130 is at 2.193825 5.374184 0.201410 ESP Fit Center 7131 is at 1.777069 5.410645 0.201410 ESP Fit Center 7132 is at 1.360313 5.374184 0.201410 ESP Fit Center 7133 is at 0.956221 5.265907 0.201410 ESP Fit Center 7134 is at 3.556982 4.565709 -0.215346 ESP Fit Center 7135 is at 3.250711 4.858534 -0.215346 ESP Fit Center 7136 is at 2.897076 5.091967 -0.215346 ESP Fit Center 7137 is at 2.507442 5.258504 -0.215346 ESP Fit Center 7138 is at 2.094334 5.352793 -0.215346 ESP Fit Center 7139 is at 1.671029 5.371804 -0.215346 ESP Fit Center 7140 is at 1.251132 5.314925 -0.215346 ESP Fit Center 7141 is at 0.848139 5.183985 -0.215346 ESP Fit Center 7142 is at 3.674316 4.229932 -0.619438 ESP Fit Center 7143 is at 3.409279 4.566954 -0.619438 ESP Fit Center 7144 is at 3.085249 4.847728 -0.619438 ESP Fit Center 7145 is at 2.713939 5.062104 -0.619438 ESP Fit Center 7146 is at 2.308767 5.202335 -0.619438 ESP Fit Center 7147 is at 1.884379 5.263353 -0.619438 ESP Fit Center 7148 is at 1.456112 5.242952 -0.619438 ESP Fit Center 7149 is at 1.039445 5.141870 -0.619438 ESP Fit Center 7150 is at 3.482994 4.198004 -0.998590 ESP Fit Center 7151 is at 3.209060 4.517099 -0.998590 ESP Fit Center 7152 is at 2.876500 4.774519 -0.998590 ESP Fit Center 7153 is at 2.498929 4.959726 -0.998590 ESP Fit Center 7154 is at 2.091806 5.065138 -0.998590 ESP Fit Center 7155 is at 1.671797 5.086438 -0.998590 ESP Fit Center 7156 is at 1.256097 5.022756 -0.998590 ESP Fit Center 7157 is at 0.861727 4.876697 -0.998590 ESP Fit Center 7158 is at 3.185447 4.192414 -1.341280 ESP Fit Center 7159 is at 2.874949 4.485354 -1.341280 ESP Fit Center 7160 is at 2.505264 4.698792 -1.341280 ESP Fit Center 7161 is at 2.096322 4.821221 -1.341280 ESP Fit Center 7162 is at 1.670169 4.846041 -1.341280 ESP Fit Center 7163 is at 1.249779 4.771915 -1.341280 ESP Fit Center 7164 is at 0.857816 4.602839 -1.341280 ESP Fit Center 7165 is at 2.830037 4.138099 -1.637097 ESP Fit Center 7166 is at 2.486807 4.380377 -1.637097 ESP Fit Center 7167 is at 2.090938 4.521069 -1.637097 ESP Fit Center 7168 is at 1.671792 4.549739 -1.637097 ESP Fit Center 7169 is at 0.413908 -3.357609 1.413575 ESP Fit Center 7170 is at 0.415535 -3.598006 1.070885 ESP Fit Center 7171 is at 0.628117 -3.774921 0.691733 ESP Fit Center 7172 is at 0.414768 -3.883371 0.287640 ESP Fit Center 7173 is at 0.104052 -3.885751 -0.129115 ESP Fit Center 7174 is at 0.520807 -3.922213 -0.129115 ESP Fit Center 7175 is at -0.005129 -3.826493 -0.545871 ESP Fit Center 7176 is at 0.199850 -3.754520 -0.949964 ESP Fit Center 7177 is at -0.000164 -3.534323 -1.329115 ESP Fit Center 7178 is at -0.398446 -3.114406 -1.671805 ESP Fit Center 7179 is at -0.675875 -2.495786 -1.967622 ESP Fit Center 7180 is at -0.368832 -2.782544 -1.967622 ESP Fit Center 7181 is at -0.398446 -2.293558 -2.207576 ESP Fit Center 7182 is at -1.047552 0.508706 3.150960 ESP Fit Center 7183 is at 2.603672 -2.258576 3.904923 ESP Fit Center 7184 is at 2.395295 -1.897655 3.868462 ESP Fit Center 7185 is at 2.186917 -2.258576 3.868462 ESP Fit Center 7186 is at 2.395295 -2.619497 3.868462 ESP Fit Center 7187 is at 2.812050 -2.619497 3.868462 ESP Fit Center 7188 is at 2.193248 -1.547700 3.760186 ESP Fit Center 7189 is at 1.892797 -1.848152 3.760186 ESP Fit Center 7190 is at 1.782824 -2.258576 3.760186 ESP Fit Center 7191 is at 1.892797 -2.669000 3.760186 ESP Fit Center 7192 is at 2.193248 -2.969451 3.760186 ESP Fit Center 7193 is at 2.603672 -3.079424 3.760186 ESP Fit Center 7194 is at 3.014097 -2.969451 3.760186 ESP Fit Center 7195 is at 2.003672 -1.219345 3.583384 ESP Fit Center 7196 is at 1.684419 -1.487231 3.583384 ESP Fit Center 7197 is at 1.476041 -1.848152 3.583384 ESP Fit Center 7198 is at 1.403672 -2.258576 3.583384 ESP Fit Center 7199 is at 1.476041 -2.669000 3.583384 ESP Fit Center 7200 is at 1.684419 -3.029921 3.583384 ESP Fit Center 7201 is at 2.003672 -3.297806 3.583384 ESP Fit Center 7202 is at 2.395295 -3.440345 3.583384 ESP Fit Center 7203 is at 2.812050 -3.440345 3.583384 ESP Fit Center 7204 is at 1.714033 -0.998244 3.343430 ESP Fit Center 7205 is at 1.406990 -1.285003 3.343430 ESP Fit Center 7206 is at 1.188700 -1.643966 3.343430 ESP Fit Center 7207 is at 1.075351 -2.048513 3.343430 ESP Fit Center 7208 is at 1.075351 -2.468639 3.343430 ESP Fit Center 7209 is at 1.188700 -2.873185 3.343430 ESP Fit Center 7210 is at 1.406990 -3.232149 3.343430 ESP Fit Center 7211 is at 1.714033 -3.518907 3.343430 ESP Fit Center 7212 is at 2.087057 -3.712193 3.343430 ESP Fit Center 7213 is at 2.498396 -3.797670 3.343430 ESP Fit Center 7214 is at 2.917542 -3.768999 3.343430 ESP Fit Center 7215 is at 1.342013 -0.921295 3.047614 ESP Fit Center 7216 is at 1.067623 -1.248300 3.047614 ESP Fit Center 7217 is at 0.876041 -1.629770 3.047614 ESP Fit Center 7218 is at 0.777597 -2.045138 3.047614 ESP Fit Center 7219 is at 0.777597 -2.472014 3.047614 ESP Fit Center 7220 is at 0.876041 -2.887382 3.047614 ESP Fit Center 7221 is at 1.067623 -3.268852 3.047614 ESP Fit Center 7222 is at 1.342013 -3.595857 3.047614 ESP Fit Center 7223 is at 1.684419 -3.850769 3.047614 ESP Fit Center 7224 is at 2.076383 -4.019846 3.047614 ESP Fit Center 7225 is at 2.496773 -4.093972 3.047614 ESP Fit Center 7226 is at 2.922926 -4.069152 3.047614 ESP Fit Center 7227 is at 0.535875 -2.048302 2.704923 ESP Fit Center 7228 is at 0.535875 -2.468850 2.704923 ESP Fit Center 7229 is at 0.620531 -2.880791 2.704923 ESP Fit Center 7230 is at 0.786377 -3.267257 2.704923 ESP Fit Center 7231 is at 1.026623 -3.612428 2.704923 ESP Fit Center 7232 is at 1.331434 -3.902172 2.704923 ESP Fit Center 7233 is at 1.688330 -4.124628 2.704923 ESP Fit Center 7234 is at 2.082701 -4.270686 2.704923 ESP Fit Center 7235 is at 2.498400 -4.334369 2.704923 ESP Fit Center 7236 is at 2.918409 -4.313069 2.704923 ESP Fit Center 7237 is at 0.358622 -2.472952 2.325772 ESP Fit Center 7238 is at 0.439764 -2.893957 2.325772 ESP Fit Center 7239 is at 0.599115 -3.291997 2.325772 ESP Fit Center 7240 is at 0.830917 -3.652687 2.325772 ESP Fit Center 7241 is at 1.126790 -3.962989 2.325772 ESP Fit Center 7242 is at 1.476041 -4.211690 2.325772 ESP Fit Center 7243 is at 1.866048 -4.389801 2.325772 ESP Fit Center 7244 is at 2.282715 -4.490883 2.325772 ESP Fit Center 7245 is at 2.710982 -4.511284 2.325772 ESP Fit Center 7246 is at 0.325309 -2.887364 1.921679 ESP Fit Center 7247 is at 0.474198 -3.284077 1.921679 ESP Fit Center 7248 is at 0.691530 -3.647829 1.921679 ESP Fit Center 7249 is at 0.970319 -3.966930 1.921679 ESP Fit Center 7250 is at 1.301606 -4.231122 1.921679 ESP Fit Center 7251 is at 1.674743 -4.431915 1.921679 ESP Fit Center 7252 is at 2.077736 -4.562856 1.921679 ESP Fit Center 7253 is at 2.497633 -4.619735 1.921679 ESP Fit Center 7254 is at 0.525211 -3.458576 1.504923 ESP Fit Center 7255 is at 0.765166 -3.801266 1.504923 ESP Fit Center 7256 is at 1.060982 -4.097083 1.504923 ESP Fit Center 7257 is at 1.403672 -4.337037 1.504923 ESP Fit Center 7258 is at 1.782824 -4.513838 1.504923 ESP Fit Center 7259 is at 2.186917 -4.622115 1.504923 ESP Fit Center 7260 is at 2.603672 -4.658576 1.504923 ESP Fit Center 7261 is at 0.691530 -3.647829 1.088168 ESP Fit Center 7262 is at 0.970319 -3.966930 1.088168 ESP Fit Center 7263 is at 1.301606 -4.231122 1.088168 ESP Fit Center 7264 is at 1.674743 -4.431915 1.088168 ESP Fit Center 7265 is at 2.077736 -4.562856 1.088168 ESP Fit Center 7266 is at 1.126790 -3.962989 0.684075 ESP Fit Center 7267 is at 1.476041 -4.211690 0.684075 ESP Fit Center 7268 is at 1.866048 -4.389801 0.684075 ESP Fit Center 7269 is at 2.592234 -4.587283 0.188933 ESP Fit Center 7270 is at 3.012624 -4.661409 0.188933 ESP Fit Center 7271 is at 2.598553 -4.838124 -0.153757 ESP Fit Center 7272 is at 3.014252 -4.901806 -0.153757 ESP Fit Center 7273 is at 3.434261 -4.880506 -0.153757 ESP Fit Center 7274 is at 3.841385 -4.775094 -0.153757 ESP Fit Center 7275 is at 2.381900 -4.957238 -0.532909 ESP Fit Center 7276 is at 2.798567 -5.058320 -0.532909 ESP Fit Center 7277 is at 3.226834 -5.078721 -0.532909 ESP Fit Center 7278 is at 3.651222 -5.017703 -0.532909 ESP Fit Center 7279 is at 4.056394 -4.877472 -0.532909 ESP Fit Center 7280 is at 4.427705 -4.663096 -0.532909 ESP Fit Center 7281 is at 2.190594 -4.999352 -0.937002 ESP Fit Center 7282 is at 2.593587 -5.130293 -0.937002 ESP Fit Center 7283 is at 3.013484 -5.187172 -0.937002 ESP Fit Center 7284 is at 3.436790 -5.168161 -0.937002 ESP Fit Center 7285 is at 3.849898 -5.073872 -0.937002 ESP Fit Center 7286 is at 4.239531 -4.907335 -0.937002 ESP Fit Center 7287 is at 4.593166 -4.673902 -0.937002 ESP Fit Center 7288 is at 4.899438 -4.381077 -0.937002 ESP Fit Center 7289 is at 5.148501 -4.038270 -0.937002 ESP Fit Center 7290 is at 5.519524 -2.826013 -1.353757 ESP Fit Center 7291 is at 1.919524 -4.904474 -1.353757 ESP Fit Center 7292 is at 2.298676 -5.081275 -1.353757 ESP Fit Center 7293 is at 2.702769 -5.189552 -1.353757 ESP Fit Center 7294 is at 3.119524 -5.226013 -1.353757 ESP Fit Center 7295 is at 3.536280 -5.189552 -1.353757 ESP Fit Center 7296 is at 3.940372 -5.081275 -1.353757 ESP Fit Center 7297 is at 4.319524 -4.904474 -1.353757 ESP Fit Center 7298 is at 4.662214 -4.664520 -1.353757 ESP Fit Center 7299 is at 4.958031 -4.368703 -1.353757 ESP Fit Center 7300 is at 5.197985 -4.026013 -1.353757 ESP Fit Center 7301 is at 5.374786 -3.646861 -1.353757 ESP Fit Center 7302 is at 5.483063 -3.242769 -1.353757 ESP Fit Center 7303 is at 5.483063 -2.826013 -1.770513 ESP Fit Center 7304 is at 5.445080 -2.403987 -1.770513 ESP Fit Center 7305 is at 1.817458 -4.798559 -1.770513 ESP Fit Center 7306 is at 2.190594 -4.999352 -1.770513 ESP Fit Center 7307 is at 2.593587 -5.130293 -1.770513 ESP Fit Center 7308 is at 3.013484 -5.187172 -1.770513 ESP Fit Center 7309 is at 3.436790 -5.168161 -1.770513 ESP Fit Center 7310 is at 3.849898 -5.073872 -1.770513 ESP Fit Center 7311 is at 4.239531 -4.907335 -1.770513 ESP Fit Center 7312 is at 4.593166 -4.673902 -1.770513 ESP Fit Center 7313 is at 4.899438 -4.381077 -1.770513 ESP Fit Center 7314 is at 5.148501 -4.038270 -1.770513 ESP Fit Center 7315 is at 5.332351 -3.656501 -1.770513 ESP Fit Center 7316 is at 5.445080 -3.248039 -1.770513 ESP Fit Center 7317 is at 5.374786 -2.826013 -2.174606 ESP Fit Center 7318 is at 5.334031 -2.399202 -2.174606 ESP Fit Center 7319 is at 1.991893 -4.779128 -2.174606 ESP Fit Center 7320 is at 2.381900 -4.957238 -2.174606 ESP Fit Center 7321 is at 2.798567 -5.058320 -2.174606 ESP Fit Center 7322 is at 3.226834 -5.078721 -2.174606 ESP Fit Center 7323 is at 3.651222 -5.017703 -2.174606 ESP Fit Center 7324 is at 4.056394 -4.877472 -2.174606 ESP Fit Center 7325 is at 4.427705 -4.663096 -2.174606 ESP Fit Center 7326 is at 4.751734 -4.382322 -2.174606 ESP Fit Center 7327 is at 5.016771 -4.045300 -2.174606 ESP Fit Center 7328 is at 5.213237 -3.664209 -2.174606 ESP Fit Center 7329 is at 5.334031 -3.252824 -2.174606 ESP Fit Center 7330 is at 5.197985 -2.826013 -2.553757 ESP Fit Center 7331 is at 5.155439 -2.407622 -2.553757 ESP Fit Center 7332 is at 5.029542 -2.006360 -2.553757 ESP Fit Center 7333 is at 2.204182 -4.692065 -2.553757 ESP Fit Center 7334 is at 2.598553 -4.838124 -2.553757 ESP Fit Center 7335 is at 3.014252 -4.901806 -2.553757 ESP Fit Center 7336 is at 3.434261 -4.880506 -2.553757 ESP Fit Center 7337 is at 3.841385 -4.775094 -2.553757 ESP Fit Center 7338 is at 4.218955 -4.589887 -2.553757 ESP Fit Center 7339 is at 4.551515 -4.332467 -2.553757 ESP Fit Center 7340 is at 4.825449 -4.013372 -2.553757 ESP Fit Center 7341 is at 5.029542 -3.645666 -2.553757 ESP Fit Center 7342 is at 5.155439 -3.244404 -2.553757 ESP Fit Center 7343 is at 4.958031 -2.826013 -2.896448 ESP Fit Center 7344 is at 4.908474 -2.402024 -2.896448 ESP Fit Center 7345 is at 4.762474 -2.000893 -2.896448 ESP Fit Center 7346 is at 2.200271 -4.418207 -2.896448 ESP Fit Center 7347 is at 2.592234 -4.587283 -2.896448 ESP Fit Center 7348 is at 3.012624 -4.661409 -2.896448 ESP Fit Center 7349 is at 3.438777 -4.636589 -2.896448 ESP Fit Center 7350 is at 3.847719 -4.514160 -2.896448 ESP Fit Center 7351 is at 4.217404 -4.300722 -2.896448 ESP Fit Center 7352 is at 4.527902 -4.007782 -2.896448 ESP Fit Center 7353 is at 4.762474 -3.651133 -2.896448 ESP Fit Center 7354 is at 4.908474 -3.250002 -2.896448 ESP Fit Center 7355 is at 4.662214 -2.826013 -3.192264 ESP Fit Center 7356 is at 4.605007 -2.409800 -3.192264 ESP Fit Center 7357 is at 4.437629 -2.024456 -3.192264 ESP Fit Center 7358 is at 2.229885 -4.086345 -3.192264 ESP Fit Center 7359 is at 2.602909 -4.279630 -3.192264 ESP Fit Center 7360 is at 3.014247 -4.365107 -3.192264 ESP Fit Center 7361 is at 3.433394 -4.336437 -3.192264 ESP Fit Center 7362 is at 3.829262 -4.195745 -3.192264 ESP Fit Center 7363 is at 4.172492 -3.953467 -3.192264 ESP Fit Center 7364 is at 4.437629 -3.627570 -3.192264 ESP Fit Center 7365 is at 4.605007 -3.242226 -3.192264 ESP Fit Center 7366 is at 4.319524 -2.826013 -3.432218 ESP Fit Center 7367 is at 4.247155 -2.415589 -3.432218 ESP Fit Center 7368 is at 2.519524 -3.865244 -3.432218 ESP Fit Center 7369 is at 2.911146 -4.007782 -3.432218 ESP Fit Center 7370 is at 3.327902 -4.007782 -3.432218 ESP Fit Center 7371 is at 3.719524 -3.865244 -3.432218 ESP Fit Center 7372 is at 4.038777 -3.597358 -3.432218 ESP Fit Center 7373 is at 4.247155 -3.236437 -3.432218 ESP Fit Center 7374 is at 3.940372 -2.826013 -3.609020 ESP Fit Center 7375 is at 2.709100 -3.536889 -3.609020 ESP Fit Center 7376 is at 3.119524 -3.646861 -3.609020 ESP Fit Center 7377 is at 3.529948 -3.536889 -3.609020 ESP Fit Center 7378 is at 3.830400 -3.236437 -3.609020 ESP Fit Center 7379 is at 3.536280 -2.826013 -3.717296 ESP Fit Center 7380 is at 3.327902 -3.186934 -3.717296 ESP Fit Center 7381 is at 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-1.370907 3.396216 ESP Fit Center 7400 is at -4.236612 -1.319983 3.312910 ESP Fit Center 7401 is at -2.430092 -4.326297 1.428797 ESP Fit Center 7402 is at -2.627999 -4.518171 1.034526 ESP Fit Center 7403 is at -2.248053 -4.364663 1.034526 ESP Fit Center 7404 is at -6.178327 -3.129810 0.628886 ESP Fit Center 7405 is at -3.431205 -4.715861 0.628886 ESP Fit Center 7406 is at -3.015930 -4.672214 0.628886 ESP Fit Center 7407 is at -2.610770 -4.571196 0.628886 ESP Fit Center 7408 is at -2.223612 -4.414774 0.628886 ESP Fit Center 7409 is at -6.178327 -3.129810 0.219431 ESP Fit Center 7410 is at -5.957053 -3.483923 0.219431 ESP Fit Center 7411 is at -5.688648 -3.803795 0.219431 ESP Fit Center 7412 is at -5.378338 -4.083199 0.219431 ESP Fit Center 7413 is at -5.032163 -4.316698 0.219431 ESP Fit Center 7414 is at -4.656860 -4.499745 0.219431 ESP Fit Center 7415 is at -4.259733 -4.628779 0.219431 ESP Fit Center 7416 is at -3.848514 -4.701288 0.219431 ESP Fit Center 7417 is at -3.431205 -4.715861 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Center 7654 is at -0.839175 -0.261165 3.647242 ESP Fit Center 7655 is at -1.182406 -0.018887 3.647242 ESP Fit Center 7656 is at -1.578274 0.121805 3.647242 ESP Fit Center 7657 is at -1.997420 0.150475 3.647242 ESP Fit Center 7658 is at -2.408759 0.064998 3.647242 ESP Fit Center 7659 is at -2.781783 -0.128287 3.647242 ESP Fit Center 7660 is at -3.088826 -0.415046 3.647242 ESP Fit Center 7661 is at -3.307117 -0.774009 3.647242 ESP Fit Center 7662 is at -3.420465 -1.178556 3.647242 ESP Fit Center 7663 is at -3.420465 -1.598682 3.647242 ESP Fit Center 7664 is at -3.307117 -2.003228 3.647242 ESP Fit Center 7665 is at -3.088826 -2.362192 3.647242 ESP Fit Center 7666 is at -2.781783 -2.648950 3.647242 ESP Fit Center 7667 is at -2.408759 -2.842236 3.647242 ESP Fit Center 7668 is at -1.997420 -2.927713 3.647242 ESP Fit Center 7669 is at -1.578274 -2.899042 3.647242 ESP Fit Center 7670 is at -1.182406 -2.758351 3.647242 ESP Fit Center 7671 is at -0.839175 -2.516072 3.647242 ESP Fit Center 7672 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ESP Fit Center 7889 is at -5.438958 -4.257972 1.176466 ESP Fit Center 7890 is at -5.096268 -4.497927 1.176466 ESP Fit Center 7891 is at -4.717117 -4.674728 1.176466 ESP Fit Center 7892 is at -4.313024 -4.783004 1.176466 ESP Fit Center 7893 is at -3.896268 -4.819466 1.176466 ESP Fit Center 7894 is at -3.479513 -4.783004 1.176466 ESP Fit Center 7895 is at -3.075420 -4.674728 1.176466 ESP Fit Center 7896 is at -6.025743 -3.444967 0.759710 ESP Fit Center 7897 is at -5.808411 -3.808719 0.759710 ESP Fit Center 7898 is at -5.529621 -4.127819 0.759710 ESP Fit Center 7899 is at -5.198334 -4.392012 0.759710 ESP Fit Center 7900 is at -4.825198 -4.592805 0.759710 ESP Fit Center 7901 is at -4.422205 -4.723745 0.759710 ESP Fit Center 7902 is at -4.002308 -4.780624 0.759710 ESP Fit Center 7903 is at -3.579003 -4.761614 0.759710 ESP Fit Center 7904 is at -5.373151 -4.123879 0.355618 ESP Fit Center 7905 is at -5.023899 -4.372580 0.355618 ESP Fit Center 7906 is at -4.633892 -4.550690 0.355618 ESP Fit Center 7907 is at -4.217225 -4.651773 0.355618 ESP Fit Center 7908 is at -7.012014 -0.610014 2.027472 ESP Fit Center 7909 is at -7.012014 -1.030140 2.027472 ESP Fit Center 7910 is at -6.898666 -1.434687 2.027472 ESP Fit Center 7911 is at -6.680375 -1.793650 2.027472 ESP Fit Center 7912 is at -6.373332 -2.080409 2.027472 ESP Fit Center 7913 is at -7.019743 0.190199 1.731655 ESP Fit Center 7914 is at -7.211324 -0.191271 1.731655 ESP Fit Center 7915 is at -7.309768 -0.606640 1.731655 ESP Fit Center 7916 is at -7.309768 -1.033515 1.731655 ESP Fit Center 7917 is at -7.211324 -1.448883 1.731655 ESP Fit Center 7918 is at -7.019743 -1.830353 1.731655 ESP Fit Center 7919 is at -6.745352 -2.157358 1.731655 ESP Fit Center 7920 is at -6.402946 -2.412271 1.731655 ESP Fit Center 7921 is at -7.300988 0.188604 1.388965 ESP Fit Center 7922 is at -7.466834 -0.197863 1.388965 ESP Fit Center 7923 is at -7.551490 -0.609803 1.388965 ESP Fit Center 7924 is at -7.551490 -1.030352 1.388965 ESP Fit Center 7925 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0.188965 ESP Fit Center 7962 is at -6.683693 -2.898538 0.188965 ESP Fit Center 7963 is at -6.304541 -3.075339 0.188965 ESP Fit Center 7964 is at -7.117046 0.888276 -0.227791 ESP Fit Center 7965 is at -7.395836 0.569176 -0.227791 ESP Fit Center 7966 is at -7.613167 0.205424 -0.227791 ESP Fit Center 7967 is at -7.762056 -0.191289 -0.227791 ESP Fit Center 7968 is at -7.837716 -0.608211 -0.227791 ESP Fit Center 7969 is at -7.837716 -1.031943 -0.227791 ESP Fit Center 7970 is at -7.762056 -1.448865 -0.227791 ESP Fit Center 7971 is at -7.613167 -1.845578 -0.227791 ESP Fit Center 7972 is at -7.395836 -2.209330 -0.227791 ESP Fit Center 7973 is at -7.117046 -2.528431 -0.227791 ESP Fit Center 7974 is at -6.785759 -2.792623 -0.227791 ESP Fit Center 7975 is at -6.412623 -2.993417 -0.227791 ESP Fit Center 7976 is at -7.256449 0.574034 -0.631883 ESP Fit Center 7977 is at -7.488250 0.213344 -0.631883 ESP Fit Center 7978 is at -7.647601 -0.184696 -0.631883 ESP Fit Center 7979 is at -7.728743 -0.605701 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-2.445244 -2.195530 ESP Fit Center 8307 is at -0.754931 -2.211812 -2.195530 ESP Fit Center 8308 is at -2.121264 -2.616631 -2.599623 ESP Fit Center 8309 is at -1.696875 -2.555613 -2.599623 ESP Fit Center 8310 is at -1.291704 -2.415382 -2.599623 ESP Fit Center 8311 is at -0.920393 -2.201005 -2.599623 ESP Fit Center 8312 is at -0.596363 -1.920232 -2.599623 ESP Fit Center 8313 is at -0.150112 -0.363923 -2.978775 ESP Fit Center 8314 is at -0.192659 0.054468 -2.978775 ESP Fit Center 8315 is at -3.500812 -2.007519 -2.978775 ESP Fit Center 8316 is at -3.143915 -2.229975 -2.978775 ESP Fit Center 8317 is at -2.749545 -2.376033 -2.978775 ESP Fit Center 8318 is at -2.333846 -2.439716 -2.978775 ESP Fit Center 8319 is at -1.913837 -2.418416 -2.978775 ESP Fit Center 8320 is at -1.506713 -2.313004 -2.978775 ESP Fit Center 8321 is at -1.129142 -2.127797 -2.978775 ESP Fit Center 8322 is at -0.796582 -1.870376 -2.978775 ESP Fit Center 8323 is at -0.522649 -1.551282 -2.978775 ESP Fit Center 8324 is at -0.318555 -1.183576 -2.978775 ESP Fit Center 8325 is at -0.192659 -0.782314 -2.978775 ESP Fit Center 8326 is at -0.390067 -0.363923 -3.321465 ESP Fit Center 8327 is at -0.439624 0.060066 -3.321465 ESP Fit Center 8328 is at -3.490233 -1.701204 -3.321465 ESP Fit Center 8329 is at -3.147827 -1.956116 -3.321465 ESP Fit Center 8330 is at -2.755863 -2.125193 -3.321465 ESP Fit Center 8331 is at -2.335473 -2.199319 -3.321465 ESP Fit Center 8332 is at -1.909320 -2.174499 -3.321465 ESP Fit Center 8333 is at -1.500378 -2.052069 -3.321465 ESP Fit Center 8334 is at -1.130693 -1.838632 -3.321465 ESP Fit Center 8335 is at -0.820196 -1.545692 -3.321465 ESP Fit Center 8336 is at -0.585624 -1.189043 -3.321465 ESP Fit Center 8337 is at -0.439624 -0.787912 -3.321465 ESP Fit Center 8338 is at -0.685883 -0.363923 -3.617281 ESP Fit Center 8339 is at -0.743090 0.052290 -3.617281 ESP Fit Center 8340 is at -0.910469 0.437634 -3.617281 ESP Fit Center 8341 is at -3.425256 -1.337496 -3.617281 ESP Fit Center 8342 is at -3.118212 -1.624254 -3.617281 ESP Fit Center 8343 is at -2.745189 -1.817540 -3.617281 ESP Fit Center 8344 is at -2.333850 -1.903017 -3.617281 ESP Fit Center 8345 is at -1.914704 -1.874346 -3.617281 ESP Fit Center 8346 is at -1.518835 -1.733655 -3.617281 ESP Fit Center 8347 is at -1.175605 -1.491376 -3.617281 ESP Fit Center 8348 is at -0.910469 -1.165480 -3.617281 ESP Fit Center 8349 is at -0.743090 -0.780136 -3.617281 ESP Fit Center 8350 is at -1.028573 -0.363923 -3.857236 ESP Fit Center 8351 is at -1.100942 0.046501 -3.857236 ESP Fit Center 8352 is at -1.309320 0.407422 -3.857236 ESP Fit Center 8353 is at -3.428573 -0.363923 -3.857236 ESP Fit Center 8354 is at -3.356204 -0.774347 -3.857236 ESP Fit Center 8355 is at -3.147827 -1.135268 -3.857236 ESP Fit Center 8356 is at -2.828573 -1.403153 -3.857236 ESP Fit Center 8357 is at -2.436951 -1.545692 -3.857236 ESP Fit Center 8358 is at -2.020196 -1.545692 -3.857236 ESP Fit Center 8359 is at -1.628573 -1.403153 -3.857236 ESP Fit Center 8360 is at -1.309320 -1.135268 -3.857236 ESP Fit Center 8361 is at -1.100942 -0.774347 -3.857236 ESP Fit Center 8362 is at -1.407725 -0.363923 -4.034037 ESP Fit Center 8363 is at -1.517698 0.046501 -4.034037 ESP Fit Center 8364 is at -1.818149 0.346953 -4.034037 ESP Fit Center 8365 is at -2.939449 0.046501 -4.034037 ESP Fit Center 8366 is at -3.049422 -0.363923 -4.034037 ESP Fit Center 8367 is at -2.939449 -0.774347 -4.034037 ESP Fit Center 8368 is at -2.638998 -1.074798 -4.034037 ESP Fit Center 8369 is at -2.228573 -1.184771 -4.034037 ESP Fit Center 8370 is at -1.818149 -1.074798 -4.034037 ESP Fit Center 8371 is at -1.517698 -0.774347 -4.034037 ESP Fit Center 8372 is at -1.811818 -0.363923 -4.142313 ESP Fit Center 8373 is at -2.020196 -0.003002 -4.142313 ESP Fit Center 8374 is at -2.436951 -0.003002 -4.142313 ESP Fit Center 8375 is at -2.645329 -0.363923 -4.142313 ESP Fit Center 8376 is at -2.436951 -0.724844 -4.142313 ESP Fit Center 8377 is at -2.020196 -0.724844 -4.142313 ESP Fit Center 8378 is at -2.228573 -0.363923 -4.178775 ESP Fit Center 8379 is at -3.101170 3.521654 -1.043915 ESP Fit Center 8380 is at -2.588996 3.711853 -1.460670 ESP Fit Center 8381 is at -2.993089 3.603577 -1.460670 ESP Fit Center 8382 is at -2.278280 3.709473 -1.877426 ESP Fit Center 8383 is at -2.698177 3.652594 -1.877426 ESP Fit Center 8384 is at -3.101170 3.521654 -1.877426 ESP Fit Center 8385 is at -3.474307 3.320861 -1.877426 ESP Fit Center 8386 is at -1.235371 3.399773 -2.281519 ESP Fit Center 8387 is at -1.640542 3.540004 -2.281519 ESP Fit Center 8388 is at -2.064931 3.601022 -2.281519 ESP Fit Center 8389 is at -2.493198 3.580621 -2.281519 ESP Fit Center 8390 is at -2.909864 3.479539 -2.281519 ESP Fit Center 8391 is at -3.299872 3.301429 -2.281519 ESP Fit Center 8392 is at -3.649123 3.052728 -2.281519 ESP Fit Center 8393 is at -0.466316 2.535673 -2.660670 ESP Fit Center 8394 is at -0.740250 2.854768 -2.660670 ESP Fit Center 8395 is at -1.072809 3.112188 -2.660670 ESP Fit Center 8396 is at -1.450380 3.297396 -2.660670 ESP Fit Center 8397 is at -1.857504 3.402807 -2.660670 ESP Fit Center 8398 is at -2.277513 3.424108 -2.660670 ESP Fit Center 8399 is at -2.693212 3.360425 -2.660670 ESP Fit Center 8400 is at -3.087582 3.214366 -2.660670 ESP Fit Center 8401 is at -3.444479 2.991911 -2.660670 ESP Fit Center 8402 is at -0.333734 1.348315 -3.003361 ESP Fit Center 8403 is at -0.383291 1.772303 -3.003361 ESP Fit Center 8404 is at -0.529291 2.173435 -3.003361 ESP Fit Center 8405 is at -0.763863 2.530084 -3.003361 ESP Fit Center 8406 is at -1.074360 2.823023 -3.003361 ESP Fit Center 8407 is at -1.444045 3.036461 -3.003361 ESP Fit Center 8408 is at -1.852987 3.158890 -3.003361 ESP Fit Center 8409 is at -2.279140 3.183711 -3.003361 ESP Fit Center 8410 is at -2.699530 3.109585 -3.003361 ESP Fit Center 8411 is at -3.091494 2.940508 -3.003361 ESP Fit Center 8412 is at -3.433900 2.685596 -3.003361 ESP Fit Center 8413 is at -0.629550 1.348315 -3.299177 ESP Fit Center 8414 is at -0.686757 1.764527 -3.299177 ESP Fit Center 8415 is at -0.854136 2.149872 -3.299177 ESP Fit Center 8416 is at -1.119272 2.475768 -3.299177 ESP Fit Center 8417 is at -1.462503 2.718046 -3.299177 ESP Fit Center 8418 is at -1.858371 2.858738 -3.299177 ESP Fit Center 8419 is at -2.277517 2.887408 -3.299177 ESP Fit Center 8420 is at -2.688856 2.801931 -3.299177 ESP Fit Center 8421 is at -3.061879 2.608646 -3.299177 ESP Fit Center 8422 is at -3.368923 2.321888 -3.299177 ESP Fit Center 8423 is at -0.972240 1.348315 -3.539131 ESP Fit Center 8424 is at -1.044609 1.758739 -3.539131 ESP Fit Center 8425 is at -1.252987 2.119660 -3.539131 ESP Fit Center 8426 is at -1.572240 2.387545 -3.539131 ESP Fit Center 8427 is at -1.963863 2.530084 -3.539131 ESP Fit Center 8428 is at -2.380618 2.530084 -3.539131 ESP Fit Center 8429 is at -2.772240 2.387545 -3.539131 ESP Fit Center 8430 is at -3.091494 2.119660 -3.539131 ESP Fit Center 8431 is at -1.351392 1.348315 -3.715933 ESP Fit Center 8432 is at -1.461365 1.758739 -3.715933 ESP Fit Center 8433 is at -1.761816 2.059190 -3.715933 ESP Fit Center 8434 is at -2.172240 2.169163 -3.715933 ESP Fit Center 8435 is at -2.582665 2.059190 -3.715933 ESP Fit Center 8436 is at -2.883116 1.758739 -3.715933 ESP Fit Center 8437 is at -1.755485 1.348315 -3.824209 ESP Fit Center 8438 is at -1.963863 1.709235 -3.824209 ESP Fit Center 8439 is at -2.380618 1.709235 -3.824209 Entering OneElI... OneElI was handed 2147310050 working-precision words. Calculate electrostatic properties NBasis = 291 MinDer = 0 MaxDer = 0 NGrid = 8439 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 18.32 Shift= 10.362677 5.340391 3.361397 Box 1 Number 0 centers from 1 to 104: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.26D+01 NSMCal= 5460 NSMKep= 2649 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 22354911 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs PRISM was handed 178733934 working-precision words and 2649 shell-pairs IPart= 7 NShTot= 1839702 NBatch= 1725 AvBLen= 1066.5 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 1848141 NBatch= 1739 AvBLen= 1062.8 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 1848141 NBatch= 1739 AvBLen= 1062.8 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2025360 NBatch= 1973 AvBLen= 1026.5 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 1704678 NBatch= 1580 AvBLen= 1078.9 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 1746873 NBatch= 1614 AvBLen= 1082.3 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 1780629 NBatch= 1657 AvBLen= 1074.6 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 1780629 NBatch= 1657 AvBLen= 1074.6 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 1907214 NBatch= 1848 AvBLen= 1032.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 1932531 NBatch= 1881 AvBLen= 1027.4 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 1966287 NBatch= 1903 AvBLen= 1033.3 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 1974726 NBatch= 1913 AvBLen= 1032.3 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 8404 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00120 RRMS= 0.07241: ESP charges: 1 1 C 0.364697 2 C -0.384444 3 O -0.732601 4 O -0.640518 5 C 0.980963 6 N -0.797683 7 C 0.839838 8 O -0.637517 9 N -0.187151 10 C 0.075455 11 C -0.642214 12 H 0.066035 13 H 0.112884 14 H 0.109213 15 H 0.401679 16 H 0.214340 17 C 0.418214 18 H 0.104678 19 H 0.477228 20 C -0.138234 21 C 0.001195 22 C -0.026511 23 C -0.084635 24 C -0.101330 25 H -0.005588 26 H 0.013951 27 H 0.023772 28 H 0.016598 29 H 0.007966 30 H 0.010422 31 H 0.012275 32 H 0.033318 33 H 0.030360 34 H 0.023620 35 H 0.039722 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.430732 2 C -0.057669 3 O -0.255373 4 O -0.640518 5 C 0.980963 6 N -0.396003 7 C 0.839838 8 O -0.637517 9 N -0.187151 10 C 0.289796 11 C -0.642214 17 C 0.412626 20 C -0.100511 21 C 0.025759 22 C -0.003814 23 C -0.020957 24 C -0.037988 Charge= -0.00000 Dipole= 1.1492 -5.0382 0.1406 Tot= 5.1695 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.605998 2 Atom -14.719685 3 Atom -22.279176 4 Atom -22.342640 5 Atom -14.595731 6 Atom -18.286869 7 Atom -14.554147 8 Atom -22.340331 9 Atom -18.269798 10 Atom -14.655989 11 Atom -14.719209 12 Atom -1.099262 13 Atom -1.097412 14 Atom -1.093090 15 Atom -0.989817 16 Atom -1.064612 17 Atom -14.721672 18 Atom -1.096846 19 Atom -0.957640 20 Atom -14.733465 21 Atom -14.738079 22 Atom -14.742258 23 Atom -14.743813 24 Atom -14.744228 25 Atom -1.136432 26 Atom -1.128918 27 Atom -1.132755 28 Atom -1.137152 29 Atom -1.134990 30 Atom -1.138251 31 Atom -1.140474 32 Atom -1.141884 33 Atom -1.143751 34 Atom -1.140676 35 Atom -1.141649 36 Fit 0.056440 37 Fit 0.001368 38 Fit -0.007242 39 Fit 0.014136 40 Fit 0.014327 41 Fit 0.014572 42 Fit 0.014075 43 Fit 0.014319 44 Fit 0.015151 45 Fit 0.014386 46 Fit 0.014369 47 Fit 0.015827 48 Fit 0.015166 49 Fit 0.014823 50 Fit 0.014637 51 Fit 0.016616 52 Fit 0.016602 53 Fit 0.016592 54 Fit 0.015824 55 Fit 0.014905 56 Fit 0.016347 57 Fit 0.017997 58 Fit 0.014642 59 Fit 0.014371 60 Fit 0.022683 61 Fit 0.017329 62 Fit 0.013814 63 Fit 0.009541 64 Fit 0.025392 65 Fit 0.022569 66 Fit 0.026484 67 Fit 0.035118 68 Fit 0.005903 69 Fit 0.007751 70 Fit 0.015068 71 Fit 0.025902 72 Fit 0.003914 73 Fit 0.000639 74 Fit 0.004894 75 Fit 0.014454 76 Fit -0.002738 77 Fit -0.002227 78 Fit 0.004197 79 Fit 0.015428 80 Fit -0.005895 81 Fit -0.006358 82 Fit -0.001173 83 Fit 0.008898 84 Fit -0.008931 85 Fit -0.010815 86 Fit -0.008095 87 Fit -0.000887 88 Fit 0.010759 89 Fit -0.014015 90 Fit -0.015547 91 Fit -0.015012 92 Fit -0.011311 93 Fit -0.003942 94 Fit 0.007354 95 Fit 0.031460 96 Fit -0.018365 97 Fit -0.019610 98 Fit -0.020942 99 Fit -0.021551 100 Fit -0.020998 101 Fit -0.018589 102 Fit -0.013430 103 Fit -0.004895 104 Fit 0.007398 105 Fit 0.018769 106 Fit 0.008729 107 Fit 0.000569 108 Fit -0.006494 109 Fit -0.012852 110 Fit -0.018476 111 Fit -0.022555 112 Fit -0.024916 113 Fit -0.026118 114 Fit -0.026210 115 Fit -0.024829 116 Fit -0.021477 117 Fit -0.015550 118 Fit -0.006556 119 Fit 0.005740 120 Fit 0.006077 121 Fit -0.004235 122 Fit -0.012574 123 Fit -0.019252 124 Fit -0.024256 125 Fit -0.027267 126 Fit -0.028206 127 Fit -0.026948 128 Fit -0.023090 129 Fit -0.016134 130 Fit -0.005812 131 Fit 0.007530 132 Fit 0.005992 133 Fit -0.005078 134 Fit -0.014732 135 Fit -0.021837 136 Fit -0.025943 137 Fit -0.026638 138 Fit -0.023546 139 Fit -0.016376 140 Fit -0.005538 141 Fit 0.006717 142 Fit -0.004654 143 Fit -0.015141 144 Fit -0.021526 145 Fit -0.019479 146 Fit -0.009675 147 Fit -0.000931 148 Fit -0.013182 149 Fit -0.033565 150 Fit -0.027568 151 Fit -0.036209 152 Fit -0.040711 153 Fit -0.038175 154 Fit -0.030105 155 Fit -0.023877 156 Fit -0.019903 157 Fit -0.029503 158 Fit -0.038072 159 Fit -0.043685 160 Fit -0.045982 161 Fit -0.045364 162 Fit -0.041683 163 Fit -0.034671 164 Fit -0.025520 165 Fit -0.016434 166 Fit -0.021126 167 Fit -0.031564 168 Fit -0.040298 169 Fit -0.046054 170 Fit -0.049012 171 Fit -0.049932 172 Fit -0.049234 173 Fit -0.046602 174 Fit -0.041168 175 Fit -0.032459 176 Fit -0.020738 177 Fit -0.032435 178 Fit -0.041632 179 Fit -0.047586 180 Fit -0.050846 181 Fit -0.052292 182 Fit -0.052602 183 Fit -0.051998 184 Fit -0.050149 185 Fit -0.046187 186 Fit -0.038678 187 Fit -0.022107 188 Fit -0.035857 189 Fit -0.044996 190 Fit -0.050305 191 Fit -0.052986 192 Fit -0.054098 193 Fit -0.054344 194 Fit -0.053978 195 Fit -0.052768 196 Fit -0.049971 197 Fit -0.044108 198 Fit -0.025701 199 Fit -0.039423 200 Fit -0.047610 201 Fit -0.052084 202 Fit -0.054243 203 Fit -0.055098 204 Fit -0.055284 205 Fit -0.055054 206 Fit -0.054274 207 Fit -0.052427 208 Fit -0.048535 209 Fit -0.017622 210 Fit -0.035539 211 Fit -0.045768 212 Fit -0.051324 213 Fit -0.054053 214 Fit -0.055183 215 Fit -0.055503 216 Fit -0.055409 217 Fit -0.054920 218 Fit -0.053700 219 Fit -0.051081 220 Fit -0.045876 221 Fit -0.033921 222 Fit -0.044761 223 Fit -0.050617 224 Fit -0.053499 225 Fit -0.054699 226 Fit -0.055035 227 Fit -0.054914 228 Fit -0.054367 229 Fit -0.053079 230 Fit -0.050450 231 Fit -0.045502 232 Fit -0.018629 233 Fit -0.035312 234 Fit -0.044900 235 Fit -0.050096 236 Fit -0.052623 237 Fit -0.053627 238 Fit -0.053808 239 Fit -0.053449 240 Fit -0.052449 241 Fit -0.050379 242 Fit -0.046503 243 Fit -0.028421 244 Fit -0.040073 245 Fit -0.046724 246 Fit -0.050092 247 Fit -0.051475 248 Fit -0.051686 249 Fit -0.051026 250 Fit -0.049285 251 Fit -0.045719 252 Fit -0.022174 253 Fit -0.034351 254 Fit -0.042164 255 Fit -0.046426 256 Fit -0.048258 257 Fit -0.048456 258 Fit -0.047246 259 Fit -0.044098 260 Fit -0.020031 261 Fit -0.031557 262 Fit -0.039235 263 Fit -0.043105 264 Fit -0.044022 265 Fit -0.042320 266 Fit -0.036873 267 Fit -0.027625 268 Fit -0.035161 269 Fit -0.037904 270 Fit -0.035974 271 Fit -0.023976 272 Fit -0.029786 273 Fit -0.024599 274 Fit -0.019024 275 Fit 0.000121 276 Fit 0.004922 277 Fit -0.003343 278 Fit -0.011112 279 Fit -0.006421 280 Fit 0.002701 281 Fit 0.007136 282 Fit 0.007021 283 Fit 0.001513 284 Fit -0.006652 285 Fit -0.013776 286 Fit -0.002236 287 Fit 0.003991 288 Fit 0.007385 289 Fit 0.010990 290 Fit 0.011361 291 Fit -0.010271 292 Fit -0.012258 293 Fit 0.016357 294 Fit 0.022425 295 Fit -0.012723 296 Fit -0.008495 297 Fit -0.016194 298 Fit 0.000463 299 Fit -0.003060 300 Fit -0.006098 301 Fit -0.003719 302 Fit 0.011515 303 Fit 0.007934 304 Fit 0.004254 305 Fit 0.002125 306 Fit 0.004249 307 Fit 0.006426 308 Fit 0.009144 309 Fit 0.006670 310 Fit 0.001382 311 Fit 0.001385 312 Fit -0.000432 313 Fit -0.000671 314 Fit 0.003190 315 Fit 0.006279 316 Fit 0.005133 317 Fit 0.002267 318 Fit 0.000756 319 Fit 0.001374 320 Fit 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