Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1048462.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1048464. 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 6.59 -5.067 2.718 C 6.1 -4.973 4.174 O 6.783 -6.436 2.386 O 3.198 -2.159 -0.47 C 3.942 -2.84 0.243 N 4.985 -2.274 0.827 C 5.833 -3.017 1.629 O 6.8 -2.461 2.16 N 5.611 -4.386 1.844 C 4.448 -5.018 1.201 C 3.66 -4.255 0.43 H 7.549 -4.536 2.659 H 5.98 -3.917 4.453 H 6.836 -5.447 4.838 H 5.162 -1.306 0.688 C 4.089 -6.516 1.348 Cl 2.276 -4.926 -0.369 H 5.141 -5.485 4.269 H 7.437 -6.836 3.009 H 3.437 -6.807 0.522 H 4.988 -7.129 1.372 N 3.357 -6.757 2.581 C 2.093 -6.145 2.94 C 2.237 -6.243 4.468 C 2.631 -7.714 4.609 C 3.697 -7.707 3.567 H 1.955 -5.122 2.567 H 1.272 -6.792 2.604 H 3.088 -5.621 4.776 H 1.335 -5.961 5.028 H 2.958 -8.025 5.611 H 1.796 -8.339 4.262 N 4.738 -8.44 3.595 H 5.419 -8.391 2.878 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5391 estimate D2E/DX2 ! ! R2 R(1,3) 1.4218 estimate D2E/DX2 ! ! R3 R(1,9) 1.4785 estimate D2E/DX2 ! ! R4 R(1,12) 1.0978 estimate D2E/DX2 ! ! R5 R(2,13) 1.0988 estimate D2E/DX2 ! ! R6 R(2,14) 1.0988 estimate D2E/DX2 ! ! R7 R(2,18) 1.0913 estimate D2E/DX2 ! ! R8 R(3,19) 0.9878 estimate D2E/DX2 ! ! R9 R(4,5) 1.2352 estimate D2E/DX2 ! ! R10 R(5,6) 1.3226 estimate D2E/DX2 ! ! R11 R(5,11) 1.4549 estimate D2E/DX2 ! ! R12 R(6,7) 1.3836 estimate D2E/DX2 ! ! R13 R(6,15) 0.9938 estimate D2E/DX2 ! ! R14 R(7,8) 1.2354 estimate D2E/DX2 ! ! R15 R(7,9) 1.4034 estimate D2E/DX2 ! ! R16 R(9,10) 1.4715 estimate D2E/DX2 ! ! R17 R(10,11) 1.3407 estimate D2E/DX2 ! ! R18 R(10,16) 1.5474 estimate D2E/DX2 ! ! R19 R(11,17) 1.7332 estimate D2E/DX2 ! ! R20 R(16,20) 1.0918 estimate D2E/DX2 ! ! R21 R(16,21) 1.0884 estimate D2E/DX2 ! ! R22 R(16,22) 1.454 estimate D2E/DX2 ! ! R23 R(22,23) 1.4495 estimate D2E/DX2 ! ! R24 R(22,26) 1.4108 estimate D2E/DX2 ! ! R25 R(23,24) 1.5379 estimate D2E/DX2 ! ! R26 R(23,27) 1.0976 estimate D2E/DX2 ! ! R27 R(23,28) 1.098 estimate D2E/DX2 ! ! R28 R(24,25) 1.5294 estimate D2E/DX2 ! ! R29 R(24,29) 1.0982 estimate D2E/DX2 ! ! R30 R(24,30) 1.0985 estimate D2E/DX2 ! ! R31 R(25,26) 1.4907 estimate D2E/DX2 ! ! R32 R(25,31) 1.0989 estimate D2E/DX2 ! ! R33 R(25,32) 1.0992 estimate D2E/DX2 ! ! R34 R(26,33) 1.2735 estimate D2E/DX2 ! ! R35 R(33,34) 0.9901 estimate D2E/DX2 ! ! A1 A(2,1,3) 108.839 estimate D2E/DX2 ! ! A2 A(2,1,9) 108.6793 estimate D2E/DX2 ! ! A3 A(2,1,12) 107.4227 estimate D2E/DX2 ! ! A4 A(3,1,9) 113.2861 estimate D2E/DX2 ! ! A5 A(3,1,12) 109.5481 estimate D2E/DX2 ! ! A6 A(9,1,12) 108.8974 estimate D2E/DX2 ! ! A7 A(1,2,13) 109.4913 estimate D2E/DX2 ! ! A8 A(1,2,14) 109.3952 estimate D2E/DX2 ! ! A9 A(1,2,18) 109.48 estimate D2E/DX2 ! ! A10 A(13,2,14) 109.53 estimate D2E/DX2 ! ! A11 A(13,2,18) 109.4404 estimate D2E/DX2 ! ! A12 A(14,2,18) 109.4904 estimate D2E/DX2 ! ! A13 A(1,3,19) 109.4192 estimate D2E/DX2 ! ! A14 A(4,5,6) 119.6005 estimate D2E/DX2 ! ! A15 A(4,5,11) 119.5816 estimate D2E/DX2 ! ! A16 A(6,5,11) 120.8179 estimate D2E/DX2 ! ! A17 A(5,6,7) 120.6282 estimate D2E/DX2 ! ! A18 A(5,6,15) 119.7041 estimate D2E/DX2 ! ! A19 A(7,6,15) 119.6677 estimate D2E/DX2 ! ! A20 A(6,7,8) 119.1569 estimate D2E/DX2 ! ! A21 A(6,7,9) 121.0424 estimate D2E/DX2 ! ! A22 A(8,7,9) 119.8006 estimate D2E/DX2 ! ! A23 A(1,9,7) 115.7918 estimate D2E/DX2 ! ! A24 A(1,9,10) 125.7174 estimate D2E/DX2 ! ! A25 A(7,9,10) 118.4906 estimate D2E/DX2 ! ! A26 A(9,10,11) 118.1231 estimate D2E/DX2 ! ! A27 A(9,10,16) 123.8908 estimate D2E/DX2 ! ! A28 A(11,10,16) 117.982 estimate D2E/DX2 ! ! A29 A(5,11,10) 120.896 estimate D2E/DX2 ! ! A30 A(5,11,17) 118.1671 estimate D2E/DX2 ! ! A31 A(10,11,17) 120.9369 estimate D2E/DX2 ! ! A32 A(10,16,20) 108.9469 estimate D2E/DX2 ! ! A33 A(10,16,21) 110.8366 estimate D2E/DX2 ! ! A34 A(10,16,22) 110.9655 estimate D2E/DX2 ! ! A35 A(20,16,21) 111.09 estimate D2E/DX2 ! ! A36 A(20,16,22) 107.2611 estimate D2E/DX2 ! ! A37 A(21,16,22) 107.685 estimate D2E/DX2 ! ! A38 A(16,22,23) 125.3827 estimate D2E/DX2 ! ! A39 A(16,22,26) 125.6582 estimate D2E/DX2 ! ! A40 A(23,22,26) 108.7457 estimate D2E/DX2 ! ! A41 A(22,23,24) 97.9043 estimate D2E/DX2 ! ! A42 A(22,23,27) 114.7707 estimate D2E/DX2 ! ! A43 A(22,23,28) 109.1143 estimate D2E/DX2 ! ! A44 A(24,23,27) 114.1304 estimate D2E/DX2 ! ! A45 A(24,23,28) 109.6646 estimate D2E/DX2 ! ! A46 A(27,23,28) 110.5615 estimate D2E/DX2 ! ! A47 A(23,24,25) 100.196 estimate D2E/DX2 ! ! A48 A(23,24,29) 108.3688 estimate D2E/DX2 ! ! A49 A(23,24,30) 114.4096 estimate D2E/DX2 ! ! A50 A(25,24,29) 108.6199 estimate D2E/DX2 ! ! A51 A(25,24,30) 114.2961 estimate D2E/DX2 ! ! A52 A(29,24,30) 110.3606 estimate D2E/DX2 ! ! A53 A(24,25,26) 96.619 estimate D2E/DX2 ! ! A54 A(24,25,31) 115.6532 estimate D2E/DX2 ! ! A55 A(24,25,32) 108.7892 estimate D2E/DX2 ! ! A56 A(26,25,31) 115.2069 estimate D2E/DX2 ! ! A57 A(26,25,32) 108.9793 estimate D2E/DX2 ! ! A58 A(31,25,32) 110.6687 estimate D2E/DX2 ! ! A59 A(22,26,25) 108.6241 estimate D2E/DX2 ! ! A60 A(22,26,33) 126.8674 estimate D2E/DX2 ! ! A61 A(25,26,33) 124.5055 estimate D2E/DX2 ! ! A62 A(26,33,34) 121.1882 estimate D2E/DX2 ! ! D1 D(3,1,2,13) 178.0874 estimate D2E/DX2 ! ! D2 D(3,1,2,14) 58.0497 estimate D2E/DX2 ! ! D3 D(3,1,2,18) -61.9327 estimate D2E/DX2 ! ! D4 D(9,1,2,13) -58.1142 estimate D2E/DX2 ! ! D5 D(9,1,2,14) -178.1519 estimate D2E/DX2 ! ! D6 D(9,1,2,18) 61.8658 estimate D2E/DX2 ! ! D7 D(12,1,2,13) 59.5582 estimate D2E/DX2 ! ! D8 D(12,1,2,14) -60.4794 estimate D2E/DX2 ! ! D9 D(12,1,2,18) 179.5382 estimate D2E/DX2 ! ! D10 D(2,1,3,19) -58.3426 estimate D2E/DX2 ! ! D11 D(9,1,3,19) -179.3567 estimate D2E/DX2 ! ! D12 D(12,1,3,19) 58.842 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 89.7552 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -90.0751 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -149.1407 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 31.0291 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -26.976 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 153.1937 estimate D2E/DX2 ! ! D19 D(4,5,6,7) -179.9388 estimate D2E/DX2 ! ! D20 D(4,5,6,15) 0.0086 estimate D2E/DX2 ! ! D21 D(11,5,6,7) 0.0631 estimate D2E/DX2 ! ! D22 D(11,5,6,15) -179.9895 estimate D2E/DX2 ! ! D23 D(4,5,11,10) -179.8243 estimate D2E/DX2 ! ! D24 D(4,5,11,17) 0.0673 estimate D2E/DX2 ! ! D25 D(6,5,11,10) 0.1738 estimate D2E/DX2 ! ! D26 D(6,5,11,17) -179.9346 estimate D2E/DX2 ! ! D27 D(5,6,7,8) 179.9175 estimate D2E/DX2 ! ! D28 D(5,6,7,9) 0.0081 estimate D2E/DX2 ! ! D29 D(15,6,7,8) -0.0299 estimate D2E/DX2 ! ! D30 D(15,6,7,9) -179.9393 estimate D2E/DX2 ! ! D31 D(6,7,9,1) 179.8681 estimate D2E/DX2 ! ! D32 D(6,7,9,10) -0.2887 estimate D2E/DX2 ! ! D33 D(8,7,9,1) -0.0407 estimate D2E/DX2 ! ! D34 D(8,7,9,10) 179.8025 estimate D2E/DX2 ! ! D35 D(1,9,10,11) -179.668 estimate D2E/DX2 ! ! D36 D(1,9,10,16) -0.4241 estimate D2E/DX2 ! ! D37 D(7,9,10,11) 0.5058 estimate D2E/DX2 ! ! D38 D(7,9,10,16) 179.7498 estimate D2E/DX2 ! ! D39 D(9,10,11,5) -0.4485 estimate D2E/DX2 ! ! D40 D(9,10,11,17) 179.6629 estimate D2E/DX2 ! ! D41 D(16,10,11,5) -179.7378 estimate D2E/DX2 ! ! D42 D(16,10,11,17) 0.3736 estimate D2E/DX2 ! ! D43 D(9,10,16,20) -159.6136 estimate D2E/DX2 ! ! D44 D(9,10,16,21) -37.0848 estimate D2E/DX2 ! ! D45 D(9,10,16,22) 82.5138 estimate D2E/DX2 ! ! D46 D(11,10,16,20) 19.6313 estimate D2E/DX2 ! ! D47 D(11,10,16,21) 142.1601 estimate D2E/DX2 ! ! D48 D(11,10,16,22) -98.2413 estimate D2E/DX2 ! ! D49 D(10,16,22,23) 59.1788 estimate D2E/DX2 ! ! D50 D(10,16,22,26) -126.7333 estimate D2E/DX2 ! ! D51 D(20,16,22,23) -59.7138 estimate D2E/DX2 ! ! D52 D(20,16,22,26) 114.374 estimate D2E/DX2 ! ! D53 D(21,16,22,23) -179.3551 estimate D2E/DX2 ! ! D54 D(21,16,22,26) -5.2673 estimate D2E/DX2 ! ! D55 D(16,22,23,24) -154.0813 estimate D2E/DX2 ! ! D56 D(16,22,23,27) -32.8413 estimate D2E/DX2 ! ! D57 D(16,22,23,28) 91.8594 estimate D2E/DX2 ! ! D58 D(26,22,23,24) 30.989 estimate D2E/DX2 ! ! D59 D(26,22,23,27) 152.2291 estimate D2E/DX2 ! ! D60 D(26,22,23,28) -83.0702 estimate D2E/DX2 ! ! D61 D(16,22,26,25) -175.2895 estimate D2E/DX2 ! ! D62 D(16,22,26,33) 5.3199 estimate D2E/DX2 ! ! D63 D(23,22,26,25) -0.3774 estimate D2E/DX2 ! ! D64 D(23,22,26,33) -179.7679 estimate D2E/DX2 ! ! D65 D(22,23,24,25) -49.5668 estimate D2E/DX2 ! ! D66 D(22,23,24,29) 64.1083 estimate D2E/DX2 ! ! D67 D(22,23,24,30) -172.299 estimate D2E/DX2 ! ! D68 D(27,23,24,25) -171.2824 estimate D2E/DX2 ! ! D69 D(27,23,24,29) -57.6072 estimate D2E/DX2 ! ! D70 D(27,23,24,30) 65.9855 estimate D2E/DX2 ! ! D71 D(28,23,24,25) 64.0541 estimate D2E/DX2 ! ! D72 D(28,23,24,29) 177.7293 estimate D2E/DX2 ! ! D73 D(28,23,24,30) -58.678 estimate D2E/DX2 ! ! D74 D(23,24,25,26) 48.4655 estimate D2E/DX2 ! ! D75 D(23,24,25,31) 170.5627 estimate D2E/DX2 ! ! D76 D(23,24,25,32) -64.198 estimate D2E/DX2 ! ! D77 D(29,24,25,26) -65.0172 estimate D2E/DX2 ! ! D78 D(29,24,25,31) 57.08 estimate D2E/DX2 ! ! D79 D(29,24,25,32) -177.6806 estimate D2E/DX2 ! ! D80 D(30,24,25,26) 171.2775 estimate D2E/DX2 ! ! D81 D(30,24,25,31) -66.6253 estimate D2E/DX2 ! ! D82 D(30,24,25,32) 58.6141 estimate D2E/DX2 ! ! D83 D(24,25,26,22) -30.5053 estimate D2E/DX2 ! ! D84 D(24,25,26,33) 148.903 estimate D2E/DX2 ! ! D85 D(31,25,26,22) -152.9387 estimate D2E/DX2 ! ! D86 D(31,25,26,33) 26.4697 estimate D2E/DX2 ! ! D87 D(32,25,26,22) 82.0018 estimate D2E/DX2 ! ! D88 D(32,25,26,33) -98.5899 estimate D2E/DX2 ! ! D89 D(22,26,33,34) -0.3054 estimate D2E/DX2 ! ! D90 D(25,26,33,34) -179.6045 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= 197 maximum allowed number of steps= 204. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.590000 -5.067000 2.718000 2 6 0 6.100000 -4.973000 4.174000 3 8 0 6.783000 -6.436000 2.386000 4 8 0 3.198000 -2.159000 -0.470000 5 6 0 3.942000 -2.840000 0.243000 6 7 0 4.985000 -2.274000 0.827000 7 6 0 5.833000 -3.017000 1.629000 8 8 0 6.800000 -2.461000 2.160000 9 7 0 5.611000 -4.386000 1.844000 10 6 0 4.448000 -5.018000 1.201000 11 6 0 3.660000 -4.255000 0.430000 12 1 0 7.549000 -4.536000 2.659000 13 1 0 5.980000 -3.917000 4.453000 14 1 0 6.836000 -5.447000 4.838000 15 1 0 5.162000 -1.306000 0.688000 16 6 0 4.089000 -6.516000 1.348000 17 17 0 2.276000 -4.926000 -0.369000 18 1 0 5.141000 -5.485000 4.269000 19 1 0 7.437000 -6.836000 3.009000 20 1 0 3.437000 -6.807000 0.522000 21 1 0 4.988000 -7.129000 1.372000 22 7 0 3.357000 -6.757000 2.581000 23 6 0 2.093000 -6.145000 2.940000 24 6 0 2.237000 -6.243000 4.468000 25 6 0 2.631000 -7.714000 4.609000 26 6 0 3.697000 -7.707000 3.567000 27 1 0 1.955000 -5.122000 2.567000 28 1 0 1.272000 -6.792000 2.604000 29 1 0 3.088000 -5.621000 4.776000 30 1 0 1.335000 -5.961000 5.028000 31 1 0 2.958000 -8.025000 5.611000 32 1 0 1.796000 -8.339000 4.262000 33 7 0 4.738000 -8.440000 3.595000 34 1 0 5.419000 -8.391000 2.878000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.539114 0.000000 3 O 1.421842 2.409108 0.000000 4 O 5.488668 6.156861 6.269106 0.000000 5 C 4.254064 4.965825 5.059145 1.235179 0.000000 6 N 3.735339 4.441873 4.794323 2.211064 1.322596 7 C 2.441612 3.220908 3.628376 3.476376 2.351214 8 O 2.673331 3.294896 3.981456 4.470180 3.462181 9 N 1.478539 2.452058 2.422777 4.017050 2.781884 10 C 2.625234 3.401449 2.977780 3.539579 2.432588 11 C 3.805153 4.526219 4.282035 2.327372 1.454894 12 H 1.097781 2.141447 2.066709 5.862761 4.660893 13 H 2.169061 1.098807 3.355989 5.921657 4.799737 14 H 2.167791 1.098757 2.644472 7.226400 6.023762 15 H 4.506130 5.145768 5.641608 2.434311 2.009871 16 C 3.198672 3.796215 2.888162 4.804420 3.841303 17 Cl 5.306604 5.938353 5.493922 2.918317 2.738886 18 H 2.163314 1.091261 2.673248 6.107016 4.964101 19 H 1.982789 2.572074 0.987849 7.207419 5.986134 20 H 4.217988 4.877728 3.848097 4.758686 4.008735 21 H 2.937680 3.706222 2.174964 5.594458 4.556784 22 N 3.650638 3.639279 3.446526 5.520461 4.599061 23 C 4.629728 4.353434 4.731564 5.360720 4.649262 24 C 4.836743 4.077022 5.003807 6.479693 5.686656 25 C 5.124078 4.442552 4.879971 7.548229 6.673571 26 C 4.007474 3.690205 3.540282 6.879438 5.898872 27 H 4.637785 4.448109 5.006889 4.421288 3.815320 28 H 5.591936 5.392888 5.526788 5.884186 5.321797 29 H 4.099547 3.139180 4.475416 6.286339 5.386220 30 H 5.809506 4.940717 6.073425 6.939307 6.279595 31 H 5.505510 4.609971 5.249397 8.452580 7.527809 32 H 6.006027 5.464624 5.657822 7.908845 7.141196 33 N 3.946665 3.769665 3.108009 7.638507 6.574916 34 H 3.527863 3.718347 2.434047 7.414834 6.319680 6 7 8 9 10 6 N 0.000000 7 C 1.383603 0.000000 8 O 2.259664 1.235389 0.000000 9 N 2.426254 1.403449 2.284557 0.000000 10 C 2.820954 2.470913 3.604141 1.471544 0.000000 11 C 2.416112 2.773477 4.008857 2.413081 1.340729 12 H 3.879042 2.512552 2.261775 2.107740 3.460389 13 H 4.103334 2.967589 2.837285 2.676379 3.759618 14 H 5.438957 4.148324 4.011132 3.404465 4.371997 15 H 0.993818 2.064762 2.486735 3.320292 3.814696 16 C 4.366786 3.919630 4.944885 2.664470 1.547415 17 Cl 3.975198 4.504280 5.739220 4.038712 2.681594 18 H 4.709801 3.679604 4.042863 2.703577 3.179774 19 H 5.620078 4.366002 4.501910 3.270168 3.938034 20 H 4.799731 4.618481 5.734155 3.512150 2.164182 21 H 4.885495 4.205784 5.068975 2.852185 2.185672 22 N 5.081751 4.585246 5.521513 3.353405 2.473621 23 C 5.273810 5.048832 6.027944 4.083090 3.136921 24 C 6.046598 5.603411 6.360138 4.660225 4.130670 25 C 7.031247 6.418334 7.139480 5.253685 4.710029 26 C 6.219649 5.505855 6.255300 4.202519 3.659601 27 H 4.507727 4.511070 5.542616 3.798784 2.844613 28 H 6.111990 6.000331 7.036582 5.019298 3.899033 29 H 5.513222 4.921326 5.532450 4.060465 3.872187 30 H 6.675692 6.360215 7.095185 5.559016 5.022544 31 H 7.750444 7.014415 7.591341 5.871203 5.541683 32 H 7.665062 7.180093 8.000581 6.002263 5.237544 33 N 6.763312 5.871381 6.485330 4.501449 4.186337 34 H 6.466270 5.532746 6.130871 4.140778 3.890026 11 12 13 14 15 11 C 0.000000 12 H 4.491294 0.000000 13 H 4.656305 2.462389 0.000000 14 H 5.562221 2.467049 1.794954 0.000000 15 H 3.319513 4.473870 4.654210 6.096938 0.000000 16 C 2.477678 4.196513 4.468972 4.568246 5.360133 17 Cl 1.733233 6.093063 6.163553 6.941029 4.748752 18 H 4.294669 3.048141 1.787848 1.788360 5.503457 19 H 5.251527 2.329172 3.567709 2.373976 6.414325 20 H 2.563376 5.160693 5.501973 5.659563 5.767511 21 H 3.303154 3.865066 4.559997 4.272866 5.865617 22 N 3.313399 4.744659 4.295359 4.348976 6.046063 23 C 3.511081 5.695242 4.728839 5.156128 6.156800 24 C 4.720436 5.865465 4.406875 4.682021 6.871535 25 C 5.521554 6.171621 5.065308 4.782651 7.927337 26 C 4.664595 5.071253 4.512337 4.071408 7.169914 27 H 2.868010 5.625362 4.605393 5.393258 5.327039 28 H 4.106725 6.670329 5.818049 6.144744 6.992807 29 H 4.591389 5.055634 3.372182 3.752549 6.295430 30 H 5.427492 6.801219 5.107307 5.528227 7.426342 31 H 6.445810 6.478017 5.229638 4.720434 8.616177 32 H 5.902353 7.080214 6.090683 5.839267 8.577093 33 N 5.356635 4.900922 4.768255 3.860661 7.715205 34 H 5.117937 4.409749 4.776193 3.810069 7.420200 16 17 18 19 20 16 C 0.000000 17 Cl 2.960263 0.000000 18 H 3.271377 5.480123 0.000000 19 H 3.751057 6.457159 2.946933 0.000000 20 H 1.091815 2.383267 4.323345 4.710203 0.000000 21 H 1.088369 3.903746 3.334480 2.960273 1.797717 22 N 1.454027 3.636430 2.765860 4.103148 2.061160 23 C 2.579946 3.531137 3.390007 5.388931 2.844522 24 C 3.638521 5.013240 3.007886 5.433261 4.162813 25 C 3.767637 5.716595 3.374039 5.140868 4.263315 26 C 2.548746 5.024470 2.741391 3.880413 3.185848 27 H 2.825447 2.959992 3.630313 5.760684 3.036046 28 H 3.096644 3.650849 4.410174 6.178445 3.003693 29 H 3.681604 5.254845 2.119046 4.848950 4.430001 30 H 4.629788 5.575331 3.910025 6.486632 5.043625 31 H 4.661482 6.769736 3.608054 5.314656 5.254606 32 H 4.131897 5.772792 4.397089 5.970754 4.362053 33 N 3.028529 5.841484 3.057566 3.193871 3.715188 34 H 2.761417 5.694531 3.233729 2.550982 3.462386 21 22 23 24 25 21 H 0.000000 22 N 2.064031 0.000000 23 C 3.436263 1.449524 0.000000 24 C 4.235353 2.253745 1.537896 0.000000 25 C 4.046708 2.357055 2.353033 1.529365 0.000000 26 C 2.611281 1.410779 2.325035 2.255371 1.490694 27 H 3.828206 2.153840 1.097589 2.224852 3.368264 28 H 3.929383 2.085421 1.097974 2.169590 2.591716 29 H 4.179866 2.486138 2.153020 1.098157 2.148811 30 H 5.298582 3.272600 2.228938 1.098512 2.219952 31 H 4.784646 3.308765 3.378885 2.236474 1.098933 32 H 4.472702 2.786612 2.578668 2.151774 1.099208 33 N 2.592865 2.401634 3.562594 3.441502 2.448412 34 H 2.011577 2.647642 4.013806 4.155373 3.350766 26 27 28 29 30 26 C 0.000000 27 H 3.273651 0.000000 28 H 2.764999 1.804649 0.000000 29 H 2.486757 2.532266 3.063769 0.000000 30 H 3.280561 2.672984 2.563261 1.803362 0.000000 31 H 2.196629 4.324275 3.661275 2.548203 2.689631 32 H 2.120436 3.639697 2.327391 3.053029 2.540504 33 N 1.273481 4.450955 3.963728 3.473330 4.447397 34 H 1.976831 4.773089 4.453031 4.087648 5.215981 31 32 33 34 31 H 0.000000 32 H 1.807938 0.000000 33 N 2.721191 3.018353 0.000000 34 H 3.695912 3.878697 0.990076 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 0.046694 2.397781 -0.387044 2 6 0 0.913634 2.542080 0.876469 3 8 0 0.899773 2.243445 -1.514018 4 8 0 -3.698837 -1.517633 0.488172 5 6 0 -2.835031 -0.659648 0.279926 6 7 0 -3.071851 0.599212 0.609242 7 6 0 -2.119858 1.577723 0.384338 8 8 0 -2.370313 2.745252 0.701094 9 7 0 -0.881906 1.263007 -0.197123 10 6 0 -0.612226 -0.137580 -0.559160 11 6 0 -1.569504 -1.046518 -0.324633 12 1 0 -0.537334 3.321350 -0.492190 13 1 0 0.265435 2.696372 1.750202 14 1 0 1.585994 3.403428 0.761235 15 1 0 -3.942086 0.845056 1.021461 16 6 0 0.705129 -0.622125 -1.210533 17 17 0 -1.332786 -2.714867 -0.730436 18 1 0 1.504312 1.635485 1.018011 19 1 0 1.500334 3.024925 -1.580807 20 1 0 0.526836 -1.582058 -1.699205 21 1 0 1.080495 0.114127 -1.918756 22 7 0 1.734947 -0.833973 -0.206148 23 6 0 1.639955 -1.750181 0.913075 24 6 0 2.615347 -1.030098 1.859232 25 6 0 3.805593 -0.830003 0.919959 26 6 0 3.029522 -0.273593 -0.224720 27 1 0 0.628607 -1.874573 1.321002 28 1 0 2.059408 -2.721407 0.619261 29 1 0 2.194702 -0.046339 2.106672 30 1 0 2.851948 -1.586295 2.776506 31 1 0 4.608052 -0.182553 1.300119 32 1 0 4.203006 -1.815088 0.637241 33 7 0 3.482564 0.575679 -1.058533 34 1 0 2.920866 0.917304 -1.798829 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4677639 0.3065948 0.2212252 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1708.1053188995 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 1.01D-03 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.10686676 A.U. after 15 cycles NFock= 15 Conv=0.72D-08 -V/T= 2.0018 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -104.84554 -20.60464 -20.55634 -20.54112 -15.66385 Alpha occ. eigenvalues -- -15.65077 -15.58932 -15.51673 -11.43353 -11.38457 Alpha occ. eigenvalues -- -11.36085 -11.35696 -11.31971 -11.31848 -11.30121 Alpha occ. eigenvalues -- -11.27536 -11.24358 -11.24214 -11.23758 -10.57842 Alpha occ. eigenvalues -- -8.04789 -8.04434 -8.04428 -1.44308 -1.40377 Alpha occ. eigenvalues -- -1.39396 -1.30441 -1.29424 -1.26735 -1.18726 Alpha occ. eigenvalues -- -1.16370 -1.10089 -1.06023 -1.02006 -0.98121 Alpha occ. eigenvalues -- -0.95325 -0.91913 -0.89164 -0.85643 -0.83134 Alpha occ. eigenvalues -- -0.79879 -0.77355 -0.74908 -0.72070 -0.71459 Alpha occ. eigenvalues -- -0.70179 -0.68887 -0.67263 -0.66274 -0.65678 Alpha occ. eigenvalues -- -0.64326 -0.62973 -0.61553 -0.60514 -0.58803 Alpha occ. eigenvalues -- -0.58123 -0.57491 -0.57282 -0.56405 -0.55601 Alpha occ. eigenvalues -- -0.54159 -0.53199 -0.52260 -0.51913 -0.49943 Alpha occ. eigenvalues -- -0.48853 -0.47744 -0.47205 -0.45865 -0.44801 Alpha occ. eigenvalues -- -0.44289 -0.43127 -0.39736 -0.35870 -0.34193 Alpha virt. eigenvalues -- 0.08731 0.15910 0.17809 0.18058 0.19867 Alpha virt. eigenvalues -- 0.22483 0.23595 0.24929 0.25916 0.27016 Alpha virt. eigenvalues -- 0.28317 0.28713 0.28820 0.29711 0.30479 Alpha virt. eigenvalues -- 0.30868 0.31342 0.32347 0.33403 0.34624 Alpha virt. eigenvalues -- 0.35005 0.36430 0.37723 0.38523 0.39303 Alpha virt. eigenvalues -- 0.40194 0.41610 0.42450 0.42774 0.42983 Alpha virt. eigenvalues -- 0.43619 0.44661 0.49263 0.50805 0.51536 Alpha virt. eigenvalues -- 0.53449 0.56554 0.59486 0.60947 0.63428 Alpha virt. eigenvalues -- 0.64532 0.66187 0.67322 0.68161 0.68431 Alpha virt. eigenvalues -- 0.71830 0.72673 0.73092 0.74952 0.76356 Alpha virt. eigenvalues -- 0.76592 0.77292 0.77934 0.79545 0.80686 Alpha virt. eigenvalues -- 0.83178 0.84217 0.85106 0.86034 0.86432 Alpha virt. eigenvalues -- 0.86639 0.88695 0.88866 0.89442 0.92036 Alpha virt. eigenvalues -- 0.93539 0.93916 0.95533 0.96919 0.97327 Alpha virt. eigenvalues -- 0.98274 1.01609 1.01954 1.03297 1.04012 Alpha virt. eigenvalues -- 1.04354 1.05043 1.06166 1.07307 1.08406 Alpha virt. eigenvalues -- 1.09803 1.10762 1.10988 1.11148 1.12558 Alpha virt. eigenvalues -- 1.12856 1.13645 1.13684 1.14598 1.15385 Alpha virt. eigenvalues -- 1.16638 1.17008 1.18433 1.19071 1.19697 Alpha virt. eigenvalues -- 1.22239 1.23609 1.23795 1.24088 1.25386 Alpha virt. eigenvalues -- 1.26450 1.28937 1.29255 1.31757 1.33344 Alpha virt. eigenvalues -- 1.34370 1.34498 1.35619 1.36237 1.36615 Alpha virt. eigenvalues -- 1.38787 1.39764 1.41816 1.43136 1.43865 Alpha virt. eigenvalues -- 1.44947 1.46508 1.50107 1.51777 1.54775 Alpha virt. eigenvalues -- 1.55347 1.58701 1.61276 1.61829 1.62464 Alpha virt. eigenvalues -- 1.63240 1.65452 1.65985 1.67051 1.70075 Alpha virt. eigenvalues -- 1.70256 1.73706 1.75613 1.76708 1.78547 Alpha virt. eigenvalues -- 1.79666 1.82051 1.84940 1.88329 1.91970 Alpha virt. eigenvalues -- 1.94199 1.97276 1.97821 1.98483 2.01059 Alpha virt. eigenvalues -- 2.02537 2.03666 2.06436 2.07482 2.09080 Alpha virt. eigenvalues -- 2.09410 2.10483 2.11283 2.13114 2.13778 Alpha virt. eigenvalues -- 2.15935 2.16227 2.17061 2.18879 2.21467 Alpha virt. eigenvalues -- 2.21954 2.23099 2.23534 2.25122 2.26336 Alpha virt. eigenvalues -- 2.27968 2.28939 2.29911 2.30614 2.32606 Alpha virt. eigenvalues -- 2.35213 2.37516 2.38893 2.39487 2.42842 Alpha virt. eigenvalues -- 2.43434 2.45927 2.46880 2.47597 2.48371 Alpha virt. eigenvalues -- 2.50962 2.52307 2.53662 2.57011 2.57273 Alpha virt. eigenvalues -- 2.58283 2.59997 2.62402 2.64559 2.67171 Alpha virt. eigenvalues -- 2.70052 2.70816 2.71524 2.74473 2.75507 Alpha virt. eigenvalues -- 2.77309 2.78144 2.79674 2.81418 2.84344 Alpha virt. eigenvalues -- 2.86463 2.90190 2.92973 2.94059 2.94998 Alpha virt. eigenvalues -- 2.96776 2.98348 2.98981 3.01503 3.02490 Alpha virt. eigenvalues -- 3.03332 3.08988 3.09555 3.13153 3.13745 Alpha virt. eigenvalues -- 3.17201 3.21813 3.26206 3.31270 3.33293 Alpha virt. eigenvalues -- 3.43991 3.44290 3.51541 3.61633 3.76808 Alpha virt. eigenvalues -- 4.23554 4.36094 4.38417 4.44463 4.47198 Alpha virt. eigenvalues -- 4.51198 4.56946 4.61098 4.63903 4.66741 Alpha virt. eigenvalues -- 4.75160 4.76708 4.79921 4.85708 4.94790 Alpha virt. eigenvalues -- 4.96708 5.02346 5.05050 5.11307 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.584356 0.374840 0.201278 0.000001 -0.000209 0.001739 2 C 0.374840 5.202752 -0.062904 -0.000000 0.000026 -0.000174 3 O 0.201278 -0.062904 8.444494 -0.000000 -0.000001 -0.000010 4 O 0.000001 -0.000000 -0.000000 8.173224 0.622346 -0.100242 5 C -0.000209 0.000026 -0.000001 0.622346 4.080722 0.262220 6 N 0.001739 -0.000174 -0.000010 -0.100242 0.262220 7.410510 7 C -0.024428 -0.001606 0.000890 0.000958 -0.024164 0.296600 8 O -0.001479 -0.001704 0.000217 -0.000028 0.000410 -0.084701 9 N 0.188878 -0.085965 -0.032024 0.000097 -0.002539 -0.095551 10 C -0.017853 0.001431 0.005252 0.003941 -0.065468 0.003095 11 C 0.001341 0.000008 0.000174 -0.094357 0.314767 -0.112524 12 H 0.423706 -0.057129 -0.032692 0.000000 -0.000017 0.000320 13 H -0.031680 0.376464 0.003326 0.000000 0.000004 -0.000038 14 H -0.037056 0.383507 0.000365 0.000000 -0.000000 0.000002 15 H -0.000021 0.000002 0.000000 0.004498 -0.009727 0.302700 16 C -0.005751 -0.000449 -0.013702 -0.000066 0.001989 -0.000100 17 Cl -0.000054 0.000002 -0.000002 0.005683 -0.051824 0.001936 18 H -0.028003 0.375369 -0.000027 0.000000 -0.000002 -0.000002 19 H -0.019690 -0.000691 0.257679 0.000000 -0.000000 0.000001 20 H 0.000095 -0.000028 0.000273 0.000004 0.000249 0.000007 21 H -0.000515 0.000584 -0.001444 0.000000 0.000028 0.000001 22 N 0.002447 -0.002957 0.000341 0.000001 -0.000092 0.000006 23 C -0.000093 0.000344 -0.000010 0.000001 0.000021 -0.000003 24 C 0.000061 -0.001257 0.000004 0.000000 -0.000000 0.000000 25 C -0.000025 0.000247 0.000002 0.000000 -0.000000 -0.000000 26 C -0.000334 -0.001135 0.000962 -0.000000 -0.000000 -0.000000 27 H -0.000019 0.000043 0.000001 -0.000017 -0.000142 -0.000022 28 H 0.000003 -0.000009 -0.000000 0.000000 0.000001 0.000000 29 H -0.000001 -0.000773 -0.000006 -0.000000 0.000001 -0.000000 30 H 0.000000 0.000001 -0.000000 0.000000 0.000000 0.000000 31 H -0.000001 0.000012 0.000001 -0.000000 0.000000 -0.000000 32 H 0.000000 -0.000004 -0.000000 -0.000000 0.000000 -0.000000 33 N -0.000268 0.000614 -0.004571 0.000000 0.000000 -0.000000 34 H -0.000026 0.000019 0.005687 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 C -0.024428 -0.001479 0.188878 -0.017853 0.001341 0.423706 2 C -0.001606 -0.001704 -0.085965 0.001431 0.000008 -0.057129 3 O 0.000890 0.000217 -0.032024 0.005252 0.000174 -0.032692 4 O 0.000958 -0.000028 0.000097 0.003941 -0.094357 0.000000 5 C -0.024164 0.000410 -0.002539 -0.065468 0.314767 -0.000017 6 N 0.296600 -0.084701 -0.095551 0.003095 -0.112524 0.000320 7 C 3.810616 0.605264 0.285435 -0.030262 0.005199 -0.001881 8 O 0.605264 8.209551 -0.097634 0.001073 0.000242 0.005879 9 N 0.285435 -0.097634 7.575904 0.245173 -0.051311 -0.041550 10 C -0.030262 0.001073 0.245173 4.806984 0.514780 0.001781 11 C 0.005199 0.000242 -0.051311 0.514780 5.610776 0.000004 12 H -0.001881 0.005879 -0.041550 0.001781 0.000004 0.466957 13 H 0.001780 0.003223 -0.001956 0.000096 -0.000003 -0.000620 14 H 0.000046 -0.000008 0.005044 -0.000087 -0.000000 -0.000919 15 H -0.008653 0.003082 0.002655 -0.000838 0.005017 -0.000001 16 C 0.000758 -0.000030 -0.024812 0.306737 -0.028946 -0.000002 17 Cl -0.000025 0.000001 0.002217 -0.088260 0.226817 0.000000 18 H 0.000212 0.000011 -0.003364 0.000515 -0.000028 0.003774 19 H 0.000006 0.000010 0.004080 -0.000275 -0.000002 -0.002637 20 H -0.000050 0.000000 0.001725 -0.056643 -0.001510 0.000005 21 H -0.000030 -0.000000 -0.001100 -0.035813 0.002257 -0.000061 22 N -0.000077 0.000000 0.001701 -0.064491 -0.005964 0.000012 23 C 0.000022 -0.000000 0.000226 -0.002328 -0.001061 -0.000000 24 C -0.000001 0.000000 -0.000033 -0.000245 -0.000012 -0.000000 25 C 0.000000 -0.000000 0.000007 -0.000067 -0.000008 0.000000 26 C 0.000001 -0.000000 0.000066 0.001667 -0.000125 -0.000002 27 H 0.000026 0.000000 -0.000090 0.003315 0.001451 -0.000000 28 H -0.000000 0.000000 -0.000002 -0.000194 0.000015 0.000000 29 H -0.000000 -0.000000 0.000025 0.000343 0.000024 -0.000001 30 H -0.000000 0.000000 0.000000 -0.000012 -0.000001 0.000000 31 H 0.000000 -0.000000 -0.000000 0.000005 0.000000 0.000000 32 H -0.000000 0.000000 -0.000000 -0.000006 0.000001 -0.000000 33 N 0.000001 -0.000000 0.000062 0.000038 -0.000024 -0.000015 34 H -0.000000 -0.000000 -0.000009 -0.000129 -0.000009 0.000026 13 14 15 16 17 18 1 C -0.031680 -0.037056 -0.000021 -0.005751 -0.000054 -0.028003 2 C 0.376464 0.383507 0.000002 -0.000449 0.000002 0.375369 3 O 0.003326 0.000365 0.000000 -0.013702 -0.000002 -0.000027 4 O 0.000000 0.000000 0.004498 -0.000066 0.005683 0.000000 5 C 0.000004 -0.000000 -0.009727 0.001989 -0.051824 -0.000002 6 N -0.000038 0.000002 0.302700 -0.000100 0.001936 -0.000002 7 C 0.001780 0.000046 -0.008653 0.000758 -0.000025 0.000212 8 O 0.003223 -0.000008 0.003082 -0.000030 0.000001 0.000011 9 N -0.001956 0.005044 0.002655 -0.024812 0.002217 -0.003364 10 C 0.000096 -0.000087 -0.000838 0.306737 -0.088260 0.000515 11 C -0.000003 -0.000000 0.005017 -0.028946 0.226817 -0.000028 12 H -0.000620 -0.000919 -0.000001 -0.000002 0.000000 0.003774 13 H 0.506956 -0.020742 -0.000001 0.000068 -0.000000 -0.024618 14 H -0.020742 0.530057 -0.000000 0.000021 -0.000000 -0.022432 15 H -0.000001 -0.000000 0.254538 0.000006 -0.000058 0.000000 16 C 0.000068 0.000021 0.000006 4.970125 -0.019462 -0.000845 17 Cl -0.000000 -0.000000 -0.000058 -0.019462 16.864327 -0.000000 18 H -0.024618 -0.022432 0.000000 -0.000845 -0.000000 0.505983 19 H 0.000045 0.001777 -0.000000 0.000746 0.000000 -0.000210 20 H 0.000000 0.000000 -0.000000 0.424207 -0.011287 0.000046 21 H -0.000017 -0.000006 -0.000000 0.396934 0.001302 -0.000219 22 N -0.000052 0.000079 -0.000000 0.207968 0.000688 0.002486 23 C -0.000001 -0.000004 -0.000000 -0.032374 -0.001048 -0.000417 24 C -0.000002 0.000027 0.000000 0.004516 0.000160 -0.001624 25 C 0.000000 -0.000008 -0.000000 0.003394 0.000009 -0.000515 26 C 0.000084 -0.000006 0.000000 -0.024824 -0.000137 -0.000031 27 H 0.000003 -0.000001 0.000000 -0.002078 -0.005037 -0.000039 28 H -0.000000 0.000000 -0.000000 -0.000099 -0.000086 0.000021 29 H 0.000154 0.000046 -0.000000 -0.000523 -0.000006 0.001173 30 H -0.000000 -0.000000 -0.000000 -0.000069 0.000000 0.000065 31 H 0.000000 -0.000001 0.000000 -0.000037 0.000000 0.000043 32 H 0.000000 0.000000 -0.000000 -0.000286 -0.000001 0.000013 33 N 0.000027 -0.000090 0.000000 -0.002691 -0.000001 -0.000397 34 H -0.000002 -0.000013 -0.000000 -0.000693 -0.000001 0.000066 19 20 21 22 23 24 1 C -0.019690 0.000095 -0.000515 0.002447 -0.000093 0.000061 2 C -0.000691 -0.000028 0.000584 -0.002957 0.000344 -0.001257 3 O 0.257679 0.000273 -0.001444 0.000341 -0.000010 0.000004 4 O 0.000000 0.000004 0.000000 0.000001 0.000001 0.000000 5 C -0.000000 0.000249 0.000028 -0.000092 0.000021 -0.000000 6 N 0.000001 0.000007 0.000001 0.000006 -0.000003 0.000000 7 C 0.000006 -0.000050 -0.000030 -0.000077 0.000022 -0.000001 8 O 0.000010 0.000000 -0.000000 0.000000 -0.000000 0.000000 9 N 0.004080 0.001725 -0.001100 0.001701 0.000226 -0.000033 10 C -0.000275 -0.056643 -0.035813 -0.064491 -0.002328 -0.000245 11 C -0.000002 -0.001510 0.002257 -0.005964 -0.001061 -0.000012 12 H -0.002637 0.000005 -0.000061 0.000012 -0.000000 -0.000000 13 H 0.000045 0.000000 -0.000017 -0.000052 -0.000001 -0.000002 14 H 0.001777 0.000000 -0.000006 0.000079 -0.000004 0.000027 15 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 16 C 0.000746 0.424207 0.396934 0.207968 -0.032374 0.004516 17 Cl 0.000000 -0.011287 0.001302 0.000688 -0.001048 0.000160 18 H -0.000210 0.000046 -0.000219 0.002486 -0.000417 -0.001624 19 H 0.290863 -0.000009 0.000230 -0.000107 0.000001 -0.000001 20 H -0.000009 0.470764 -0.016970 -0.051013 -0.000984 -0.000058 21 H 0.000230 -0.016970 0.424196 -0.038639 0.002623 -0.000224 22 N -0.000107 -0.051013 -0.038639 7.547798 0.201489 -0.061102 23 C 0.000001 -0.000984 0.002623 0.201489 4.974639 0.335699 24 C -0.000001 -0.000058 -0.000224 -0.061102 0.335699 5.220465 25 C -0.000001 -0.000216 0.000244 -0.104083 -0.061606 0.309822 26 C 0.000180 0.000674 -0.000107 0.276114 -0.056529 -0.096225 27 H 0.000000 -0.000652 -0.000055 -0.036928 0.407437 -0.028864 28 H -0.000000 0.002048 -0.000061 -0.058190 0.406377 -0.043311 29 H 0.000001 0.000002 0.000006 -0.004589 -0.039873 0.400021 30 H 0.000000 0.000008 0.000002 0.004620 -0.033268 0.394550 31 H 0.000000 -0.000001 -0.000008 0.003088 0.004805 -0.028589 32 H 0.000000 0.000028 -0.000006 0.001269 -0.002713 -0.047411 33 N 0.001077 0.000257 0.006056 -0.112572 0.003951 0.000066 34 H -0.001025 0.000121 0.004217 -0.009132 0.000053 -0.000414 25 26 27 28 29 30 1 C -0.000025 -0.000334 -0.000019 0.000003 -0.000001 0.000000 2 C 0.000247 -0.001135 0.000043 -0.000009 -0.000773 0.000001 3 O 0.000002 0.000962 0.000001 -0.000000 -0.000006 -0.000000 4 O 0.000000 -0.000000 -0.000017 0.000000 -0.000000 0.000000 5 C -0.000000 -0.000000 -0.000142 0.000001 0.000001 0.000000 6 N -0.000000 -0.000000 -0.000022 0.000000 -0.000000 0.000000 7 C 0.000000 0.000001 0.000026 -0.000000 -0.000000 -0.000000 8 O -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 9 N 0.000007 0.000066 -0.000090 -0.000002 0.000025 0.000000 10 C -0.000067 0.001667 0.003315 -0.000194 0.000343 -0.000012 11 C -0.000008 -0.000125 0.001451 0.000015 0.000024 -0.000001 12 H 0.000000 -0.000002 -0.000000 0.000000 -0.000001 0.000000 13 H 0.000000 0.000084 0.000003 -0.000000 0.000154 -0.000000 14 H -0.000008 -0.000006 -0.000001 0.000000 0.000046 -0.000000 15 H -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 16 C 0.003394 -0.024824 -0.002078 -0.000099 -0.000523 -0.000069 17 Cl 0.000009 -0.000137 -0.005037 -0.000086 -0.000006 0.000000 18 H -0.000515 -0.000031 -0.000039 0.000021 0.001173 0.000065 19 H -0.000001 0.000180 0.000000 -0.000000 0.000001 0.000000 20 H -0.000216 0.000674 -0.000652 0.002048 0.000002 0.000008 21 H 0.000244 -0.000107 -0.000055 -0.000061 0.000006 0.000002 22 N -0.104083 0.276114 -0.036928 -0.058190 -0.004589 0.004620 23 C -0.061606 -0.056529 0.407437 0.406377 -0.039873 -0.033268 24 C 0.309822 -0.096225 -0.028864 -0.043311 0.400021 0.394550 25 C 5.211728 0.356725 0.004713 -0.008969 -0.044690 -0.034342 26 C 0.356725 4.364170 0.002208 -0.000045 -0.002941 0.006608 27 H 0.004713 0.002208 0.490819 -0.029538 -0.001994 -0.001820 28 H -0.008969 -0.000045 -0.029538 0.551107 0.003702 0.002058 29 H -0.044690 -0.002941 -0.001994 0.003702 0.527706 -0.018903 30 H -0.034342 0.006608 -0.001820 0.002058 -0.018903 0.503893 31 H 0.391129 -0.025863 -0.000029 -0.000148 -0.001778 -0.001539 32 H 0.398013 -0.040412 0.000016 0.004046 0.004101 -0.001773 33 N -0.049779 0.687961 -0.000080 -0.000116 -0.000353 -0.000058 34 H 0.006003 -0.056715 -0.000009 0.000005 -0.000022 0.000005 31 32 33 34 1 C -0.000001 0.000000 -0.000268 -0.000026 2 C 0.000012 -0.000004 0.000614 0.000019 3 O 0.000001 -0.000000 -0.004571 0.005687 4 O -0.000000 -0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 6 N -0.000000 -0.000000 -0.000000 0.000000 7 C 0.000000 -0.000000 0.000001 -0.000000 8 O -0.000000 0.000000 -0.000000 -0.000000 9 N -0.000000 -0.000000 0.000062 -0.000009 10 C 0.000005 -0.000006 0.000038 -0.000129 11 C 0.000000 0.000001 -0.000024 -0.000009 12 H 0.000000 -0.000000 -0.000015 0.000026 13 H 0.000000 0.000000 0.000027 -0.000002 14 H -0.000001 0.000000 -0.000090 -0.000013 15 H 0.000000 -0.000000 0.000000 -0.000000 16 C -0.000037 -0.000286 -0.002691 -0.000693 17 Cl 0.000000 -0.000001 -0.000001 -0.000001 18 H 0.000043 0.000013 -0.000397 0.000066 19 H 0.000000 0.000000 0.001077 -0.001025 20 H -0.000001 0.000028 0.000257 0.000121 21 H -0.000008 -0.000006 0.006056 0.004217 22 N 0.003088 0.001269 -0.112572 -0.009132 23 C 0.004805 -0.002713 0.003951 0.000053 24 C -0.028589 -0.047411 0.000066 -0.000414 25 C 0.391129 0.398013 -0.049779 0.006003 26 C -0.025863 -0.040412 0.687961 -0.056715 27 H -0.000029 0.000016 -0.000080 -0.000009 28 H -0.000148 0.004046 -0.000116 0.000005 29 H -0.001778 0.004101 -0.000353 -0.000022 30 H -0.001539 -0.001773 -0.000058 0.000005 31 H 0.455177 -0.015350 0.002076 -0.000138 32 H -0.015350 0.508322 -0.001900 -0.000179 33 N 0.002076 -0.001900 6.926349 0.325764 34 H -0.000138 -0.000179 0.325764 0.383650 Mulliken charges: 1 1 C 0.388760 2 C -0.499485 3 O -0.773551 4 O -0.616044 5 C 0.871403 6 N -0.885770 7 C 1.083363 8 O -0.643380 9 N -0.875354 10 C 0.466747 11 C -0.386988 12 H 0.235063 13 H 0.187505 14 H 0.160403 15 H 0.446800 16 C -0.159629 17 Cl 0.074147 18 H 0.192997 19 H 0.467952 20 H 0.238909 21 H 0.256593 22 N -0.700118 23 C -0.105375 24 C -0.356016 25 C -0.377729 26 C 0.608012 27 H 0.197381 28 H 0.171388 29 H 0.179149 30 H 0.179975 31 H 0.217147 32 H 0.194230 33 N -0.781385 34 H 0.342901 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.623823 2 C 0.041419 3 O -0.305600 4 O -0.616044 5 C 0.871403 6 N -0.438970 7 C 1.083363 8 O -0.643380 9 N -0.875354 10 C 0.466747 11 C -0.386988 16 C 0.335874 17 Cl 0.074147 22 N -0.700118 23 C 0.263394 24 C 0.003109 25 C 0.033648 26 C 0.608012 33 N -0.438483 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147221056 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.63D+01 NSMCal= 5778 NSMKep= 4960 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4960 NTPThr= 100 NPartT= 1 Incr= 49 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= 49. PRISM was handed 2146785688 working-precision words and 4960 shell-pairs IPart= 0 NShTot= 4960 NBatch= 69 AvBLen= 71.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 50. Electronic moments (au): -150.00000000 1.02047095 0.58425060 0.18094828 -2808.46747331 -1721.61878175 -543.92300534 -6.17931905 4.84818161 -2.64764755 -1327.75376365 -926.51298835 -172.00034715 1564.15105810 1406.14748407 -1638.22725503 -1057.56915461 -44.03688254 188.85173215 1254.34875283 -104689.23155845 -39980.34132514 -5567.48430513 1886.96107560 1518.74206759 -2390.00488494 -2898.47232299 -1671.87881757 1360.00214046 -20831.27192764 -10026.03934821 -6058.48877790 2482.26224531 -564.38838778 507.03823631 Electronic spatial extent (au): = 5074.0093 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 150.00000000 0.00000000 0.00000000 -0.00000000 2704.33455471 1631.42737078 457.76425478 -0.00000000 -0.00000000 -0.00000000 1274.10071034 955.01319954 163.83498577 -1471.27248443 -1381.61287455 1676.42216225 1054.72869628 46.81053984 -224.46194176 -1263.78043509 94010.51352037 34413.36191597 3729.87361060 -2551.94268624 -1234.53782104 2720.68951502 2687.74900322 1570.20925998 -1390.92976628 17939.29036326 8134.37210433 4814.10290956 -2474.66030168 577.36525940 -476.14168231 Total moments (au): -0.00000000 1.02047095 0.58425060 0.18094828 -104.13291860 -90.19141097 -86.15875056 -6.17931905 4.84818161 -2.64764755 -53.65305331 28.50021119 -8.16536137 92.87857367 24.53460952 38.19490722 -2.84045834 2.77365730 -35.61020961 -9.43168226 -10678.71803808 -5566.97940917 -1837.61069452 -664.98161063 284.20424655 330.68463008 -210.72331977 -101.66955760 -30.92762581 -2891.98156437 -1891.66724388 -1244.38586834 7.60194362 12.97687162 30.89655401 Traceless Quadrup. (au): -10.63855855 3.30294907 7.33560948 -6.17931905 4.84818161 -2.64764755 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 2.5938 Y= 1.4850 Z= 0.4599 Tot= 3.0240 Quadrupole moment (field-independent basis, Debye-Ang): XX= -140.0623 YY= -121.3105 ZZ= -115.8865 XY= -8.3114 XZ= 6.5210 YZ= -3.5612 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -14.3092 YY= 4.4426 ZZ= 9.8666 XY= -8.3114 XZ= 6.5210 YZ= -3.5612 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -38.1882 YYY= 20.2854 ZZZ= -5.8118 XYY= 66.1074 XXY= 17.4628 XXZ= 27.1857 XZZ= -2.0217 YZZ= 1.9742 YYZ= -25.3460 XYZ= -6.7131 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4022.1173 YYYY= -2096.7914 ZZZZ= -692.1323 XXXY= -250.4640 XXXZ= 107.0449 YYYX= 124.5517 YYYZ= -79.3685 ZZZX= -38.2936 ZZZY= -11.6488 XXYY= -1089.2589 XXZZ= -712.4926 YYZZ= -468.6954 XXYZ= 2.8633 YYXZ= 4.8877 ZZXY= 11.6371 N-N= 1.708105318900D+03 E-N=-6.540744329583D+03 KE= 1.324781915729D+03 Entering OneElI... OneElI was handed 2147270893 working-precision words. Calculate electrostatic properties NBasis = 319 MinDer = 0 MaxDer = 0 NGrid = 34 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.63D+01 NSMCal= 5778 NSMKep= 4471 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 152014 NTPThr= 100 NPartT= 12 Incr= 126 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= 126. PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs PRISM was handed 178783098 working-precision words and 4471 shell-pairs IPart= 0 NShTot= 13634 NBatch= 401 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 12512 NBatch= 368 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 12648 NBatch= 372 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 7 NShTot= 12342 NBatch= 363 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 9 NShTot= 12138 NBatch= 357 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 12036 NBatch= 354 AvBLen= 34.0 IPart= 10 NShTot= 12104 NBatch= 356 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 12274 NBatch= 361 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 12818 NBatch= 377 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 13158 NBatch= 387 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 3 NShTot= 12988 NBatch= 382 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 13362 NBatch= 393 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1513. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000898 0.015787 -0.016685 2 Atom -0.003846 0.024511 -0.020665 3 Atom -0.140280 0.024978 0.115302 4 Atom 0.049302 0.375037 -0.424339 5 Atom 0.220547 0.157289 -0.377836 6 Atom -0.260454 -0.379792 0.640245 7 Atom 0.020722 0.310371 -0.331093 8 Atom 1.201328 -0.884706 -0.316622 9 Atom -0.274794 -0.547854 0.822647 10 Atom 0.299175 -0.048338 -0.250837 11 Atom 0.161771 -0.243940 0.082169 12 Atom 0.018381 -0.152257 0.133876 13 Atom -0.006303 0.138268 -0.131965 14 Atom -0.012416 -0.119121 0.131537 15 Atom -0.277951 0.147218 0.130732 16 Atom -0.184026 0.226988 -0.042962 17 Atom 2.014639 -3.592189 1.577549 18 Atom 0.020207 -0.161195 0.140988 19 Atom -0.010782 -0.172152 0.182935 20 Atom 0.118406 -0.176167 0.057761 21 Atom 0.078855 -0.035716 -0.043139 22 Atom -0.430268 0.419617 0.010651 23 Atom 0.133379 -0.004245 -0.129134 24 Atom -0.016435 0.004023 0.012411 25 Atom -0.001174 0.032374 -0.031201 26 Atom -0.026664 -0.099896 0.126560 27 Atom -0.220492 0.139882 0.080610 28 Atom 0.083187 -0.195385 0.112198 29 Atom 0.081238 -0.199275 0.118037 30 Atom 0.125190 0.032900 -0.158089 31 Atom -0.085451 -0.007115 0.092566 32 Atom 0.083774 -0.201295 0.117521 33 Atom 0.692074 -0.261687 -0.430388 34 Atom 0.007865 0.148732 -0.156597 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.265772 0.293627 -0.052228 2 Atom -0.030861 -0.041185 0.005521 3 Atom -1.181267 1.536870 -0.154340 4 Atom -1.218744 -0.577552 0.724771 5 Atom 0.101145 -0.292482 0.079085 6 Atom -0.149291 0.441066 -0.163511 7 Atom -0.003250 -0.209720 0.141763 8 Atom 0.692225 -0.563974 -0.351770 9 Atom -0.029926 0.600775 -0.237121 10 Atom 0.140932 -0.251796 -0.000868 11 Atom 0.112136 -0.010495 -0.112708 12 Atom 0.168949 -0.021374 0.040351 13 Atom 0.032114 0.197788 -0.049778 14 Atom -0.211470 0.024499 0.040220 15 Atom 0.133770 0.246939 -0.075107 16 Atom 0.164107 -0.091605 -0.031604 17 Atom 0.959915 0.131337 -1.400349 18 Atom 0.201630 -0.038338 0.047977 19 Atom -0.284925 0.045017 0.011021 20 Atom -0.062179 -0.032337 -0.170309 21 Atom -0.096888 0.095339 0.194021 22 Atom -0.423292 -0.420428 0.791529 23 Atom 0.005465 -0.012639 0.164437 24 Atom -0.029223 0.001267 -0.014209 25 Atom 0.029390 -0.009494 0.003408 26 Atom 0.072584 0.129881 -0.376659 27 Atom -0.039846 0.142587 0.024942 28 Atom 0.142671 0.043479 -0.095834 29 Atom 0.148863 0.038715 -0.086682 30 Atom 0.046537 -0.078613 0.184347 31 Atom -0.183896 -0.108731 -0.088508 32 Atom 0.139784 0.036646 -0.098107 33 Atom 0.344178 0.091688 0.110062 34 Atom 0.131680 -0.299631 0.180247 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5041 2.421 0.864 0.808 0.7455 0.6369 -0.1963 6 N(14) Bbb -0.3512 1.687 0.602 0.563 -0.5463 0.7528 0.3672 Bcc 0.8553 -4.108 -1.466 -1.370 0.3817 -0.1665 0.9092 Baa -0.6300 3.026 1.080 1.009 -0.5061 0.7932 0.3388 9 N(14) Bbb -0.4891 2.349 0.838 0.783 0.7669 0.5936 -0.2440 Bcc 1.1191 -5.375 -1.918 -1.793 0.3946 -0.1363 0.9087 Baa -4.0988 -78.635 -28.059 -26.230 -0.1556 0.9582 0.2400 17 Cl(35) Bbb 1.8908 36.275 12.944 12.100 0.3579 -0.1717 0.9178 Bcc 2.2080 42.360 15.115 14.130 0.9207 0.2287 -0.3162 Baa -0.6928 3.327 1.187 1.110 0.7508 -0.1687 0.6386 22 N(14) Bbb -0.5498 2.641 0.942 0.881 0.5698 0.6545 -0.4970 Bcc 1.2426 -5.968 -2.129 -1.991 -0.3341 0.7370 0.5875 Baa -0.4912 2.359 0.842 0.787 0.0920 -0.5393 0.8371 33 N(14) Bbb -0.3239 1.556 0.555 0.519 -0.3136 0.7822 0.5384 Bcc 0.8151 -3.915 -1.397 -1.306 0.9451 0.3120 0.0971 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 08:29:31 2024, MaxMem= 2147483648 cpu: 1.3 elap: 0.2 FitSet: NAtFit= 34 NAtPot= 34 NAtFrz= 0 MDM= 38 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 6 1.50 17 17 1.70 18 1 1.20 19 1 1.20 20 1 1.20 21 1 1.20 22 7 1.50 23 6 1.50 24 6 1.50 25 6 1.50 26 6 1.50 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 7 1.50 34 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density. ********************************************************************** Atomic Center 1 is at 0.046694 2.397781 -0.387044 Atomic Center 2 is at 0.913634 2.542080 0.876469 Atomic Center 3 is at 0.899773 2.243445 -1.514018 Atomic Center 4 is at -3.698837 -1.517633 0.488172 Atomic Center 5 is at -2.835031 -0.659648 0.279926 Atomic Center 6 is at -3.071851 0.599212 0.609242 Atomic Center 7 is at -2.119858 1.577723 0.384338 Atomic Center 8 is at -2.370313 2.745252 0.701094 Atomic Center 9 is at -0.881906 1.263007 -0.197123 Atomic Center 10 is at -0.612226 -0.137580 -0.559160 Atomic Center 11 is at -1.569504 -1.046518 -0.324633 Atomic Center 12 is at -0.537334 3.321350 -0.492190 Atomic Center 13 is at 0.265435 2.696372 1.750202 Atomic Center 14 is at 1.585994 3.403428 0.761235 Atomic Center 15 is at -3.942086 0.845056 1.021461 Atomic Center 16 is at 0.705129 -0.622125 -1.210533 Atomic Center 17 is at -1.332786 -2.714867 -0.730436 Atomic Center 18 is at 1.504312 1.635485 1.018011 Atomic Center 19 is at 1.500334 3.024925 -1.580807 Atomic Center 20 is at 0.526836 -1.582058 -1.699205 Atomic Center 21 is at 1.080495 0.114127 -1.918756 Atomic Center 22 is at 1.734947 -0.833973 -0.206148 Atomic Center 23 is at 1.639955 -1.750181 0.913075 Atomic Center 24 is at 2.615347 -1.030098 1.859232 Atomic Center 25 is at 3.805593 -0.830003 0.919959 Atomic Center 26 is at 3.029522 -0.273593 -0.224720 Atomic Center 27 is at 0.628607 -1.874573 1.321002 Atomic Center 28 is at 2.059408 -2.721407 0.619261 Atomic Center 29 is at 2.194702 -0.046339 2.106672 Atomic Center 30 is at 2.851948 -1.586295 2.776506 Atomic Center 31 is at 4.608052 -0.182553 1.300119 Atomic Center 32 is at 4.203006 -1.815088 0.637241 Atomic Center 33 is at 3.482564 0.575679 -1.058533 Atomic Center 34 is at 2.920866 0.917304 -1.798829 ESP Fit Center 35 is at -1.378081 2.816132 -1.871968 ESP Fit Center 36 is at -0.945253 3.011968 -2.133130 ESP Fit Center 37 is at -1.100139 2.612161 -2.133130 ESP Fit Center 38 is at -1.100139 2.183401 -2.133130 ESP Fit Center 39 is at 1.717269 2.542080 2.816616 ESP Fit Center 40 is at 1.609602 2.943898 2.816616 ESP Fit Center 41 is at 1.315451 1.846111 2.816616 ESP Fit Center 42 is at 1.609602 2.140262 2.816616 ESP Fit Center 43 is at 2.080331 2.542080 2.622555 ESP Fit Center 44 is at 2.001547 2.963540 2.622555 ESP Fit Center 45 is at 1.775833 3.328079 2.622555 ESP Fit Center 46 is at 1.433675 3.586465 2.622555 ESP Fit Center 47 is at 1.021283 1.380359 2.622555 ESP Fit Center 48 is at 2.001547 2.120620 2.622555 ESP Fit Center 49 is at 2.398558 2.542080 2.361393 ESP Fit Center 50 is at 2.338408 2.960431 2.361393 ESP Fit Center 51 is at 2.162831 3.344891 2.361393 ESP Fit Center 52 is at 1.124960 4.011890 2.361393 ESP Fit Center 53 is at 2.659720 2.542080 2.043167 ESP Fit Center 54 is at 2.608982 2.959946 2.043167 ESP Fit Center 55 is at 0.294463 0.909461 2.043167 ESP Fit Center 56 is at 2.853781 2.542080 1.680104 ESP Fit Center 57 is at 0.599753 4.456669 1.680104 ESP Fit Center 58 is at 0.195511 0.739729 1.680104 ESP Fit Center 59 is at 2.973283 2.542080 1.286159 ESP Fit Center 60 is at 0.397377 4.535979 1.286159 ESP Fit Center 61 is at 0.006576 4.391242 1.286159 ESP Fit Center 62 is at 0.109998 4.482227 0.876469 ESP Fit Center 63 is at -0.253064 4.288166 0.876469 ESP Fit Center 64 is at 2.853781 2.542080 0.072834 ESP Fit Center 65 is at 2.659720 2.542080 -0.290228 ESP Fit Center 66 is at 0.090983 3.922915 -2.119691 ESP Fit Center 67 is at -0.262456 3.700834 -2.119691 ESP Fit Center 68 is at 0.177051 3.779307 -2.494018 ESP Fit Center 69 is at -0.182197 3.551322 -2.494018 ESP Fit Center 70 is at -0.473460 3.241157 -2.494018 ESP Fit Center 71 is at -0.678439 2.868303 -2.494018 ESP Fit Center 72 is at -0.784252 2.456187 -2.494018 ESP Fit Center 73 is at -0.784252 2.030703 -2.494018 ESP Fit Center 74 is at -0.678439 1.618587 -2.494018 ESP Fit Center 75 is at -0.473460 1.245733 -2.494018 ESP Fit Center 76 is at 2.356337 2.243445 -2.825514 ESP Fit Center 77 is at 0.294694 3.568382 -2.825514 ESP Fit Center 78 is at -0.054074 3.344243 -2.825514 ESP Fit Center 79 is at -0.325567 3.030923 -2.825514 ESP Fit Center 80 is at -0.497790 2.653806 -2.825514 ESP Fit Center 81 is at -0.556791 2.243445 -2.825514 ESP Fit Center 82 is at -0.497790 1.833084 -2.825514 ESP Fit Center 83 is at -0.325567 1.455967 -2.825514 ESP Fit Center 84 is at -0.054074 1.142647 -2.825514 ESP Fit Center 85 is at 2.051832 2.243445 -3.099691 ESP Fit Center 86 is at 0.584497 3.351525 -3.099691 ESP Fit Center 87 is at 0.205502 3.162808 -3.099691 ESP Fit Center 88 is at -0.079727 2.849926 -3.099691 ESP Fit Center 89 is at -0.232670 2.455135 -3.099691 ESP Fit Center 90 is at -0.232670 2.031755 -3.099691 ESP Fit Center 91 is at -0.079727 1.636964 -3.099691 ESP Fit Center 92 is at 0.205502 1.324082 -3.099691 ESP Fit Center 93 is at 1.751155 1.467308 -3.099691 ESP Fit Center 94 is at 1.974036 1.827273 -3.099691 ESP Fit Center 95 is at 1.696977 2.243445 -3.304567 ESP Fit Center 96 is at 1.590172 2.642047 -3.304567 ESP Fit Center 97 is at 1.298375 2.933844 -3.304567 ESP Fit Center 98 is at 0.899773 3.040649 -3.304567 ESP Fit Center 99 is at 0.501171 2.933844 -3.304567 ESP Fit Center 100 is at 0.209374 2.642047 -3.304567 ESP Fit Center 101 is at 0.102569 2.243445 -3.304567 ESP Fit Center 102 is at 0.209374 1.844843 -3.304567 ESP Fit Center 103 is at 0.501171 1.553046 -3.304567 ESP Fit Center 104 is at 0.899773 1.446241 -3.304567 ESP Fit Center 105 is at 1.298375 1.553046 -3.304567 ESP Fit Center 106 is at 1.590172 1.844843 -3.304567 ESP Fit Center 107 is at 1.307280 2.243445 -3.431187 ESP Fit Center 108 is at 1.103526 2.596356 -3.431187 ESP Fit Center 109 is at 0.696019 2.596356 -3.431187 ESP Fit Center 110 is at 0.492266 2.243445 -3.431187 ESP Fit Center 111 is at 0.696019 1.890534 -3.431187 ESP Fit Center 112 is at 1.103526 1.890534 -3.431187 ESP Fit Center 113 is at 0.899773 2.243445 -3.474018 ESP Fit Center 114 is at -3.698837 -1.517633 2.448172 ESP Fit Center 115 is at -3.291331 -1.517633 2.405341 ESP Fit Center 116 is at -3.495084 -1.164722 2.405341 ESP Fit Center 117 is at -3.902591 -1.164722 2.405341 ESP Fit Center 118 is at -4.106344 -1.517633 2.405341 ESP Fit Center 119 is at -3.902591 -1.870545 2.405341 ESP Fit Center 120 is at -3.495084 -1.870545 2.405341 ESP Fit Center 121 is at -2.901634 -1.517633 2.278721 ESP Fit Center 122 is at -3.698837 -0.720429 2.278721 ESP Fit Center 123 is at -4.097439 -0.827235 2.278721 ESP Fit Center 124 is at -4.389236 -1.119031 2.278721 ESP Fit Center 125 is at -4.496041 -1.517633 2.278721 ESP Fit Center 126 is at -4.389236 -1.916235 2.278721 ESP Fit Center 127 is at -4.097439 -2.208032 2.278721 ESP Fit Center 128 is at -3.698837 -2.314837 2.278721 ESP Fit Center 129 is at -3.300236 -2.208032 2.278721 ESP Fit Center 130 is at -3.008439 -1.916235 2.278721 ESP Fit Center 131 is at -4.393108 -0.598270 2.073845 ESP Fit Center 132 is at -4.678338 -0.911152 2.073845 ESP Fit Center 133 is at -4.831281 -1.305943 2.073845 ESP Fit Center 134 is at -4.831281 -1.729324 2.073845 ESP Fit Center 135 is at -4.678338 -2.124114 2.073845 ESP Fit Center 136 is at -4.393108 -2.436996 2.073845 ESP Fit Center 137 is at -4.014113 -2.625713 2.073845 ESP Fit Center 138 is at -3.592539 -2.664778 2.073845 ESP Fit Center 139 is at -3.185321 -2.548914 2.073845 ESP Fit Center 140 is at -2.847456 -2.293770 2.073845 ESP Fit Center 141 is at -2.624574 -1.933805 2.073845 ESP Fit Center 142 is at -4.924177 -0.730155 1.799668 ESP Fit Center 143 is at -5.096400 -1.107272 1.799668 ESP Fit Center 144 is at -5.155401 -1.517633 1.799668 ESP Fit Center 145 is at -5.096400 -1.927995 1.799668 ESP Fit Center 146 is at -4.924177 -2.305111 1.799668 ESP Fit Center 147 is at -4.652684 -2.618431 1.799668 ESP Fit Center 148 is at -4.303916 -2.842570 1.799668 ESP Fit Center 149 is at -3.906128 -2.959371 1.799668 ESP Fit Center 150 is at -3.491547 -2.959371 1.799668 ESP Fit Center 151 is at -3.093759 -2.842570 1.799668 ESP Fit Center 152 is at -2.744991 -2.618431 1.799668 ESP Fit Center 153 is at -2.473498 -2.305111 1.799668 ESP Fit Center 154 is at -5.072071 -0.519921 1.468172 ESP Fit Center 155 is at -5.277049 -0.892775 1.468172 ESP Fit Center 156 is at -5.382863 -1.304891 1.468172 ESP Fit Center 157 is at -5.382863 -1.730375 1.468172 ESP Fit Center 158 is at -5.277049 -2.142492 1.468172 ESP Fit Center 159 is at -5.072071 -2.515346 1.468172 ESP Fit Center 160 is at -4.780807 -2.825510 1.468172 ESP Fit Center 161 is at -4.421559 -3.053496 1.468172 ESP Fit Center 162 is at -4.016900 -3.184977 1.468172 ESP Fit Center 163 is at -3.592256 -3.211694 1.468172 ESP Fit Center 164 is at -3.174309 -3.131966 1.468172 ESP Fit Center 165 is at -2.789320 -2.950804 1.468172 ESP Fit Center 166 is at -2.461479 -2.679590 1.468172 ESP Fit Center 167 is at -2.211386 -2.335367 1.468172 ESP Fit Center 168 is at -5.156227 -0.355404 1.093845 ESP Fit Center 169 is at -5.378307 -0.708843 1.093845 ESP Fit Center 170 is at -5.516172 -1.102839 1.093845 ESP Fit Center 171 is at -5.562908 -1.517633 1.093845 ESP Fit Center 172 is at -5.516172 -1.932428 1.093845 ESP Fit Center 173 is at -5.378307 -2.326423 1.093845 ESP Fit Center 174 is at -5.156227 -2.679862 1.093845 ESP Fit Center 175 is at -4.861067 -2.975023 1.093845 ESP Fit Center 176 is at -4.507627 -3.197103 1.093845 ESP Fit Center 177 is at -4.113632 -3.334968 1.093845 ESP Fit Center 178 is at -3.698837 -3.381704 1.093845 ESP Fit Center 179 is at -3.284043 -3.334968 1.093845 ESP Fit Center 180 is at -2.890047 -3.197103 1.093845 ESP Fit Center 181 is at -5.369077 -0.512683 0.693048 ESP Fit Center 182 is at -5.546063 -0.895231 0.693048 ESP Fit Center 183 is at -5.636674 -1.306881 0.693048 ESP Fit Center 184 is at -5.636674 -1.728386 0.693048 ESP Fit Center 185 is at -5.546063 -2.140036 0.693048 ESP Fit Center 186 is at -5.369077 -2.522583 0.693048 ESP Fit Center 187 is at -5.113994 -2.858140 0.693048 ESP Fit Center 188 is at -4.792739 -3.131017 0.693048 ESP Fit Center 189 is at -4.420334 -3.328453 0.693048 ESP Fit Center 190 is at -4.014193 -3.441218 0.693048 ESP Fit Center 191 is at -3.593307 -3.464037 0.693048 ESP Fit Center 192 is at -3.177354 -3.395846 0.693048 ESP Fit Center 193 is at -5.113994 -0.177126 0.283296 ESP Fit Center 194 is at -5.369077 -0.512683 0.283296 ESP Fit Center 195 is at -5.546063 -0.895231 0.283296 ESP Fit Center 196 is at -5.636674 -1.306881 0.283296 ESP Fit Center 197 is at -5.636674 -1.728386 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4.263833 2.185018 ESP Fit Center 663 is at 0.265435 4.319127 2.185018 ESP Fit Center 664 is at -0.154565 4.263833 2.185018 ESP Fit Center 665 is at -0.545943 4.101719 2.185018 ESP Fit Center 666 is at -0.882026 3.843833 2.185018 ESP Fit Center 667 is at -1.139912 3.507750 2.185018 ESP Fit Center 668 is at -0.882026 1.548911 2.185018 ESP Fit Center 669 is at -0.545943 1.291025 2.185018 ESP Fit Center 670 is at -0.154565 1.128911 2.185018 ESP Fit Center 671 is at 0.370923 4.373057 1.750202 ESP Fit Center 672 is at -0.049366 4.346615 1.750202 ESP Fit Center 673 is at -0.449874 4.216481 1.750202 ESP Fit Center 674 is at -0.805437 3.990834 1.750202 ESP Fit Center 675 is at -0.545943 4.101719 1.315386 ESP Fit Center 676 is at 1.803402 3.779990 2.383990 ESP Fit Center 677 is at 2.425994 3.403428 2.216158 ESP Fit Center 678 is at 2.313455 3.823428 2.216158 ESP Fit Center 679 is at 2.005994 4.130889 2.216158 ESP Fit Center 680 is at 1.585994 4.243428 2.216158 ESP Fit Center 681 is at 2.773933 3.403428 1.949174 ESP Fit Center 682 is at 2.693714 3.832561 1.949174 ESP Fit Center 683 is at 2.463892 4.203738 1.949174 ESP Fit Center 684 is at 2.115504 4.466828 1.949174 ESP Fit Center 685 is at 1.695603 4.586300 1.949174 ESP Fit Center 686 is at 1.260899 4.546019 1.949174 ESP Fit Center 687 is at 0.870101 4.351424 1.949174 ESP Fit Center 688 is at 2.693714 2.974295 1.949174 ESP Fit Center 689 is at 3.040917 3.403428 1.601235 ESP Fit Center 690 is at 2.976279 3.832274 1.601235 ESP Fit Center 691 is at 2.788107 4.223015 1.601235 ESP Fit Center 692 is at 2.493123 4.540932 1.601235 ESP Fit Center 693 is at 2.117537 4.757777 1.601235 ESP Fit Center 694 is at 1.694720 4.854283 1.601235 ESP Fit Center 695 is at 1.262243 4.821873 1.601235 ESP Fit Center 696 is at 0.858533 4.663428 1.601235 ESP Fit Center 697 is at 2.976279 2.974582 1.601235 ESP Fit Center 698 is at 3.208749 3.403428 1.196051 ESP Fit Center 699 is at 3.153455 3.823428 1.196051 ESP Fit Center 700 is at 2.991341 4.214806 1.196051 ESP Fit Center 701 is at 2.733455 4.550889 1.196051 ESP Fit Center 702 is at 2.397372 4.808775 1.196051 ESP Fit Center 703 is at 2.005994 4.970889 1.196051 ESP Fit Center 704 is at 1.585994 5.026183 1.196051 ESP Fit Center 705 is at 1.165994 4.970889 1.196051 ESP Fit Center 706 is at 0.774616 4.808775 1.196051 ESP Fit Center 707 is at 2.991341 2.592050 1.196051 ESP Fit Center 708 is at 3.153455 2.983428 1.196051 ESP Fit Center 709 is at 3.265994 3.403428 0.761235 ESP Fit Center 710 is at 3.213214 3.821227 0.761235 ESP Fit Center 711 is at 3.058189 4.212774 0.761235 ESP Fit Center 712 is at 2.810661 4.553467 0.761235 ESP Fit Center 713 is at 2.486183 4.821899 0.761235 ESP Fit Center 714 is at 2.105143 5.001203 0.761235 ESP Fit Center 715 is at 1.691482 5.080113 0.761235 ESP Fit Center 716 is at 1.271193 5.053671 0.761235 ESP Fit Center 717 is at 0.870685 4.923538 0.761235 ESP Fit Center 718 is at 0.515122 4.697890 0.761235 ESP Fit Center 719 is at 3.058189 2.594082 0.761235 ESP 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ESP Fit Center 758 is at -4.362086 1.572518 2.476384 ESP Fit Center 759 is at -4.669548 1.265056 2.476384 ESP Fit Center 760 is at -4.782086 0.845056 2.476384 ESP Fit Center 761 is at -4.669548 0.425056 2.476384 ESP Fit Center 762 is at -4.362086 0.117595 2.476384 ESP Fit Center 763 is at -3.942086 0.005056 2.476384 ESP Fit Center 764 is at -3.832477 2.027928 2.209401 ESP Fit Center 765 is at -4.267181 1.987647 2.209401 ESP Fit Center 766 is at -4.657980 1.793052 2.209401 ESP Fit Center 767 is at -4.952093 1.470426 2.209401 ESP Fit Center 768 is at -5.109799 1.063339 2.209401 ESP Fit Center 769 is at -5.109799 0.626773 2.209401 ESP Fit Center 770 is at -4.952093 0.219687 2.209401 ESP Fit Center 771 is at -4.657980 -0.102940 2.209401 ESP Fit Center 772 is at -4.267181 -0.297534 2.209401 ESP Fit Center 773 is at -4.265837 2.263501 1.861461 ESP Fit Center 774 is at -4.669548 2.105056 1.861461 ESP Fit Center 775 is at -5.008620 1.834655 1.861461 ESP Fit Center 776 is at -5.252926 1.476323 1.861461 ESP Fit Center 777 is at -5.380759 1.061901 1.861461 ESP Fit Center 778 is at -5.380759 0.628211 1.861461 ESP Fit Center 779 is at -5.252926 0.213789 1.861461 ESP Fit Center 780 is at -5.008620 -0.144543 1.861461 ESP Fit Center 781 is at -4.669548 -0.414944 1.861461 ESP Fit Center 782 is at -4.362086 2.412518 1.456277 ESP Fit Center 783 is at -4.753464 2.250404 1.456277 ESP Fit Center 784 is at -5.089548 1.992518 1.456277 ESP Fit Center 785 is at -5.347434 1.656434 1.456277 ESP Fit Center 786 is at -5.509548 1.265056 1.456277 ESP Fit Center 787 is at -5.564842 0.845056 1.456277 ESP Fit Center 788 is at -5.509548 0.425056 1.456277 ESP Fit Center 789 is at -5.347434 0.033678 1.456277 ESP Fit Center 790 is at -5.089548 -0.302405 1.456277 ESP Fit Center 791 is at -4.657396 2.365166 1.021461 ESP Fit Center 792 is at -5.012959 2.139518 1.021461 ESP Fit Center 793 is at -5.301235 1.832535 1.021461 ESP Fit Center 794 is at -5.504111 1.463505 1.021461 ESP Fit Center 795 is at -5.608839 1.055616 1.021461 ESP Fit Center 796 is at -5.608839 0.634496 1.021461 ESP Fit Center 797 is at -5.504111 0.226607 1.021461 ESP Fit Center 798 is at -5.301235 -0.142423 1.021461 ESP Fit Center 799 is at -4.362086 2.412518 0.586645 ESP Fit Center 800 is at -4.753464 2.250404 0.586645 ESP Fit Center 801 is at -5.089548 1.992518 0.586645 ESP Fit Center 802 is at -5.347434 1.656434 0.586645 ESP Fit Center 803 is at -5.509548 1.265056 0.586645 ESP Fit Center 804 is at -5.564842 0.845056 0.586645 ESP Fit Center 805 is at -5.509548 0.425056 0.586645 ESP Fit Center 806 is at -5.347434 0.033678 0.586645 ESP Fit Center 807 is at -4.669548 2.105056 0.181461 ESP Fit Center 808 is at -5.008620 1.834655 0.181461 ESP Fit Center 809 is at -5.252926 1.476323 0.181461 ESP Fit Center 810 is at -5.380759 1.061901 0.181461 ESP Fit Center 811 is at -5.380759 0.628211 0.181461 ESP Fit Center 812 is at -5.252926 0.213789 0.181461 ESP Fit Center 813 is at -4.657980 1.793052 -0.166478 ESP Fit Center 814 is at 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Fit Center 925 is at -0.142786 -4.776007 -0.730436 ESP Fit Center 926 is at 0.197049 -4.538053 -0.730436 ESP Fit Center 927 is at 0.490400 -4.244701 -0.730436 ESP Fit Center 928 is at 0.728355 -3.904867 -0.730436 ESP Fit Center 929 is at 0.903683 -3.528875 -0.730436 ESP Fit Center 930 is at 1.011057 -3.128149 -0.730436 ESP Fit Center 931 is at -3.667193 -2.924967 -1.143719 ESP Fit Center 932 is at -3.592163 -3.338415 -1.143719 ESP Fit Center 933 is at -3.444515 -3.731822 -1.143719 ESP Fit Center 934 is at -3.228994 -4.092543 -1.143719 ESP Fit Center 935 is at -2.952528 -4.408984 -1.143719 ESP Fit Center 936 is at -2.624002 -4.670975 -1.143719 ESP Fit Center 937 is at -2.253975 -4.870095 -1.143719 ESP Fit Center 938 is at -1.854340 -4.999944 -1.143719 ESP Fit Center 939 is at -1.437942 -5.056349 -1.143719 ESP Fit Center 940 is at -1.018164 -5.037497 -1.143719 ESP Fit Center 941 is at -0.608499 -4.943993 -1.143719 ESP Fit Center 942 is at -0.222112 -4.778844 -1.143719 ESP Fit Center 943 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Fit Center 998 is at 0.063856 -3.886788 -2.260271 ESP Fit Center 999 is at 0.296473 -3.533111 -2.260271 ESP Fit Center 1000 is at -1.021532 -1.217030 -2.553622 ESP Fit Center 1001 is at -1.437185 -1.188599 -2.553622 ESP Fit Center 1002 is at -1.845096 -1.273364 -2.553622 ESP Fit Center 1003 is at -2.215011 -1.465038 -2.553622 ESP Fit Center 1004 is at -2.519496 -1.749407 -2.553622 ESP Fit Center 1005 is at -2.735967 -2.105379 -2.553622 ESP Fit Center 1006 is at -2.848371 -2.506554 -2.553622 ESP Fit Center 1007 is at -2.848371 -2.923179 -2.553622 ESP Fit Center 1008 is at -2.735967 -3.324355 -2.553622 ESP Fit Center 1009 is at -2.519496 -3.680327 -2.553622 ESP Fit Center 1010 is at -2.215011 -3.964696 -2.553622 ESP Fit Center 1011 is at -1.845096 -4.156370 -2.553622 ESP Fit Center 1012 is at -1.437185 -4.241135 -2.553622 ESP Fit Center 1013 is at -1.021532 -4.212703 -2.553622 ESP Fit Center 1014 is at -0.628962 -4.073184 -2.553622 ESP Fit Center 1015 is at -0.288592 -3.832925 -2.553622 ESP Fit Center 1016 is at -0.025666 -3.509744 -2.553622 ESP Fit Center 1017 is at 0.140318 -3.127611 -2.553622 ESP Fit Center 1018 is at -0.142786 -2.714867 -2.791577 ESP Fit Center 1019 is at -1.126144 -1.542946 -2.791577 ESP Fit Center 1020 is at -1.539427 -1.542946 -2.791577 ESP Fit Center 1021 is at -1.927786 -1.684297 -2.791577 ESP Fit Center 1022 is at -2.244379 -1.949950 -2.791577 ESP Fit Center 1023 is at -2.451020 -2.307863 -2.791577 ESP Fit Center 1024 is at -2.522786 -2.714867 -2.791577 ESP Fit Center 1025 is at -2.451020 -3.121871 -2.791577 ESP Fit Center 1026 is at -2.244379 -3.479784 -2.791577 ESP Fit Center 1027 is at -1.927786 -3.745437 -2.791577 ESP Fit Center 1028 is at -1.539427 -3.886788 -2.791577 ESP Fit Center 1029 is at -1.126144 -3.886788 -2.791577 ESP Fit Center 1030 is at -0.737786 -3.745437 -2.791577 ESP Fit Center 1031 is at -0.421193 -3.479784 -2.791577 ESP Fit Center 1032 is at -0.214552 -3.121871 -2.791577 ESP Fit Center 1033 is at -0.518778 -2.714867 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-1.580807 ESP Fit Center 1089 is at 2.400523 4.443396 -1.580807 ESP Fit Center 1090 is at 2.019483 4.622700 -1.580807 ESP Fit Center 1091 is at 1.605822 4.701610 -1.580807 ESP Fit Center 1092 is at 1.185533 4.675167 -1.580807 ESP Fit Center 1093 is at 0.785025 4.545034 -1.580807 ESP Fit Center 1094 is at 0.429462 4.319387 -1.580807 ESP Fit Center 1095 is at 3.127554 2.607126 -1.580807 ESP Fit Center 1096 is at 3.123089 3.024925 -2.015623 ESP Fit Center 1097 is at 3.067795 3.444925 -2.015623 ESP Fit Center 1098 is at 2.905681 3.836302 -2.015623 ESP Fit Center 1099 is at 2.647795 4.172386 -2.015623 ESP Fit Center 1100 is at 2.311712 4.430272 -2.015623 ESP Fit Center 1101 is at 1.920334 4.592386 -2.015623 ESP Fit Center 1102 is at 1.500334 4.647680 -2.015623 ESP Fit Center 1103 is at 1.080334 4.592386 -2.015623 ESP Fit Center 1104 is at 0.688956 4.430272 -2.015623 ESP Fit Center 1105 is at 0.352873 4.172386 -2.015623 ESP Fit Center 1106 is at 3.067795 2.604925 -2.015623 ESP Fit Center 1107 is at 2.955257 3.024925 -2.420807 ESP Fit Center 1108 is at 2.890619 3.453771 -2.420807 ESP Fit Center 1109 is at 2.702448 3.844512 -2.420807 ESP Fit Center 1110 is at 2.407463 4.162429 -2.420807 ESP Fit Center 1111 is at 2.031877 4.379274 -2.420807 ESP Fit Center 1112 is at 1.609060 4.475779 -2.420807 ESP Fit Center 1113 is at 1.176583 4.443369 -2.420807 ESP Fit Center 1114 is at 0.772873 4.284925 -2.420807 ESP Fit Center 1115 is at 0.433800 4.014523 -2.420807 ESP Fit Center 1116 is at 2.890619 2.596079 -2.420807 ESP Fit Center 1117 is at 2.688273 3.024925 -2.768746 ESP Fit Center 1118 is at 2.608054 3.454058 -2.768746 ESP Fit Center 1119 is at 2.378232 3.825234 -2.768746 ESP Fit Center 1120 is at 2.029844 4.088324 -2.768746 ESP Fit Center 1121 is at 1.609943 4.207797 -2.768746 ESP Fit Center 1122 is at 1.175239 4.167515 -2.768746 ESP Fit Center 1123 is at 0.784441 3.972921 -2.768746 ESP Fit Center 1124 is at 2.608054 2.595792 -2.768746 ESP Fit Center 1125 is at 2.340334 3.024925 -3.035730 ESP Fit Center 1126 is at 2.227795 3.444925 -3.035730 ESP Fit Center 1127 is at 1.920334 3.752386 -3.035730 ESP Fit Center 1128 is at 1.500334 3.864925 -3.035730 ESP Fit Center 1129 is at 1.080334 3.752386 -3.035730 ESP Fit Center 1130 is at 2.227795 2.604925 -3.035730 ESP Fit Center 1131 is at 1.935150 3.024925 -3.203562 ESP Fit Center 1132 is at 1.717742 3.401486 -3.203562 ESP Fit Center 1133 is at 1.282926 3.401486 -3.203562 ESP Fit Center 1134 is at 1.500334 3.024925 -3.260807 ESP Fit Center 1135 is at 1.058379 -2.936408 -0.859205 ESP Fit Center 1136 is at 0.946836 -3.149520 -1.264389 ESP Fit Center 1137 is at 1.338214 -2.987406 -1.264389 ESP Fit Center 1138 is at 1.674298 -2.729520 -1.264389 ESP Fit Center 1139 is at 1.045985 -3.179833 -1.699205 ESP Fit Center 1140 is at 1.427025 -3.000529 -1.699205 ESP Fit Center 1141 is at 1.751504 -2.732098 -1.699205 ESP Fit Center 1142 is at 1.999032 -2.391405 -1.699205 ESP Fit Center 1143 is at 0.526836 -3.204814 -2.134021 ESP Fit Center 1144 is at 0.946836 -3.149520 -2.134021 ESP Fit Center 1145 is at 1.338214 -2.987406 -2.134021 ESP Fit Center 1146 is at 1.674298 -2.729520 -2.134021 ESP Fit Center 1147 is at 1.932184 -2.393436 -2.134021 ESP Fit Center 1148 is at 2.094298 -2.002058 -2.134021 ESP Fit Center 1149 is at 0.203086 -3.000503 -2.539205 ESP Fit Center 1150 is at 0.635563 -3.032913 -2.539205 ESP Fit Center 1151 is at 1.058379 -2.936408 -2.539205 ESP Fit Center 1152 is at 1.433966 -2.719563 -2.539205 ESP Fit Center 1153 is at 1.728950 -2.401646 -2.539205 ESP Fit Center 1154 is at 1.917121 -2.010904 -2.539205 ESP Fit Center 1155 is at 1.714776 -1.582058 -2.887145 ESP Fit Center 1156 is at -0.640876 -1.363775 -2.887145 ESP Fit Center 1157 is at -0.640876 -1.800342 -2.887145 ESP Fit Center 1158 is at -0.189057 -2.530055 -2.887145 ESP Fit Center 1159 is at 0.201741 -2.724649 -2.887145 ESP Fit Center 1160 is at 0.636446 -2.764930 -2.887145 ESP Fit Center 1161 is at 1.056347 -2.645458 -2.887145 ESP Fit Center 1162 is at 1.404734 -2.382368 -2.887145 ESP Fit Center 1163 is at 1.634557 -2.011192 -2.887145 ESP Fit Center 1164 is at 1.366836 -1.582058 -3.154128 ESP Fit Center 1165 is at -0.200625 -1.162058 -3.154128 ESP Fit Center 1166 is at -0.313164 -1.582058 -3.154128 ESP Fit Center 1167 is at -0.200625 -2.002058 -3.154128 ESP Fit Center 1168 is at 0.106836 -2.309520 -3.154128 ESP Fit Center 1169 is at 0.526836 -2.422058 -3.154128 ESP Fit Center 1170 is at 0.946836 -2.309520 -3.154128 ESP Fit Center 1171 is at 1.254298 -2.002058 -3.154128 ESP Fit Center 1172 is at 0.961652 -1.582058 -3.321961 ESP Fit Center 1173 is at 0.744244 -1.205497 -3.321961 ESP Fit Center 1174 is at 0.309428 -1.205497 -3.321961 ESP Fit Center 1175 is at 0.092020 -1.582058 -3.321961 ESP Fit Center 1176 is at 0.309428 -1.958620 -3.321961 ESP Fit Center 1177 is at 0.744244 -1.958620 -3.321961 ESP Fit Center 1178 is at 0.526836 -1.582058 -3.379205 ESP Fit Center 1179 is at -0.324852 0.925504 -2.353572 ESP Fit Center 1180 is at -0.230345 0.745394 -2.758756 ESP Fit Center 1181 is at -0.358177 0.330972 -2.758756 ESP Fit Center 1182 is at 2.282609 -0.705460 -2.758756 ESP Fit Center 1183 is at 1.610005 1.177526 -3.106695 ESP Fit Center 1184 is at 0.364602 1.062123 -3.106695 ESP Fit Center 1185 is at 0.070489 0.739496 -3.106695 ESP Fit Center 1186 is at -0.087217 0.332410 -3.106695 ESP Fit Center 1187 is at -0.087217 -0.104157 -3.106695 ESP Fit Center 1188 is at 1.610005 -0.949273 -3.106695 ESP Fit Center 1189 is at 1.958393 -0.686183 -3.106695 ESP Fit Center 1190 is at 2.188216 -0.315006 -3.106695 ESP Fit Center 1191 is at 1.920495 0.114127 -3.373679 ESP Fit Center 1192 is at 1.807957 0.534127 -3.373679 ESP Fit Center 1193 is at 1.500495 0.841588 -3.373679 ESP Fit Center 1194 is at 1.080495 0.954127 -3.373679 ESP Fit Center 1195 is at 0.660495 0.841588 -3.373679 ESP Fit Center 1196 is at 0.353034 0.534127 -3.373679 ESP Fit Center 1197 is at 0.240495 0.114127 -3.373679 ESP Fit Center 1198 is at 0.353034 -0.305873 -3.373679 ESP Fit Center 1199 is at 0.660495 -0.613335 -3.373679 ESP Fit Center 1200 is at 1.080495 -0.725873 -3.373679 ESP Fit Center 1201 is at 1.500495 -0.613335 -3.373679 ESP Fit Center 1202 is at 1.807957 -0.305873 -3.373679 ESP Fit Center 1203 is at 1.515311 0.114127 -3.541511 ESP Fit Center 1204 is at 1.297903 0.490688 -3.541511 ESP Fit Center 1205 is at 0.863087 0.490688 -3.541511 ESP Fit Center 1206 is at 0.645679 0.114127 -3.541511 ESP Fit Center 1207 is at 0.863087 -0.262435 -3.541511 ESP Fit Center 1208 is at 1.297903 -0.262435 -3.541511 ESP Fit Center 1209 is at 1.080495 0.114127 -3.598756 ESP Fit Center 1210 is at 0.485749 -0.031163 1.278776 ESP Fit Center 1211 is at 2.643728 -2.548117 -1.009784 ESP Fit Center 1212 is at 2.990972 -2.312680 -1.009784 ESP Fit Center 1213 is at 1.945415 -2.567329 -1.372846 ESP Fit Center 1214 is at 2.354118 -2.466592 -1.372846 ESP Fit Center 1215 is at 2.726837 -2.270974 -1.372846 ESP Fit Center 1216 is at 2.351807 -2.184708 -1.691073 ESP Fit Center 1217 is at 2.707366 -1.956204 -1.691073 ESP Fit Center 1218 is at 2.254989 -1.878358 -1.952235 ESP Fit Center 1219 is at 2.597147 -1.619973 -1.952235 ESP Fit Center 1220 is at 1.238137 -2.446150 2.853222 ESP Fit Center 1221 is at 1.320673 -2.872341 2.659161 ESP Fit Center 1222 is at 1.747604 -2.911902 2.659161 ESP Fit Center 1223 is at 1.428628 -3.219991 2.397999 ESP Fit Center 1224 is at 1.851281 -3.219991 2.397999 ESP Fit Center 1225 is at 1.020784 -3.382800 2.079772 ESP Fit Center 1226 is at 1.429487 -3.483537 2.079772 ESP Fit Center 1227 is at 0.551169 -0.144343 1.716710 ESP Fit Center 1228 is at 0.921832 -3.552533 1.716710 ESP Fit Center 1229 is at 0.379231 -0.121461 1.322764 ESP Fit Center 1230 is at 0.732897 -3.599344 1.322764 ESP Fit Center 1231 is at 2.615347 -0.226463 3.799379 ESP Fit Center 1232 is at 2.213529 -0.334129 3.799379 ESP Fit Center 1233 is at 1.919378 -0.628280 3.799379 ESP Fit Center 1234 is at 3.477547 -0.244099 3.605318 ESP Fit Center 1235 is at 3.135389 0.014287 3.605318 ESP Fit Center 1236 is at 1.468515 -0.815718 3.605318 ESP Fit Center 1237 is at 3.864545 -0.227287 3.344156 ESP Fit Center 1238 is at 3.587765 0.092133 3.344156 ESP Fit Center 1239 is at 1.190573 -0.611746 3.344156 ESP Fit Center 1240 is at 1.130423 -1.030098 3.344156 ESP Fit Center 1241 is at 1.190573 -1.448449 3.344156 ESP Fit Center 1242 is at 4.310695 -0.612232 3.025929 ESP Fit Center 1243 is at 4.161429 -0.218651 3.025929 ESP Fit Center 1244 is at 3.922311 0.127772 3.025929 ESP Fit Center 1245 is at 3.607237 0.406903 3.025929 ESP Fit Center 1246 is at 0.869261 -1.030098 3.025929 ESP Fit Center 1247 is at 0.919999 -1.447964 3.025929 ESP Fit Center 1248 is at 1.069264 -1.841545 3.025929 ESP Fit Center 1249 is at 0.686573 -0.820331 2.662867 ESP Fit Center 1250 is at 3.418982 -2.970245 1.859232 ESP Fit Center 1251 is at 4.609228 -0.830003 2.860106 ESP Fit Center 1252 is at 4.501562 -1.231821 2.860106 ESP Fit Center 1253 is at 4.667793 -1.616002 2.666045 ESP Fit Center 1254 is at 4.893506 -1.251463 2.666045 ESP Fit Center 1255 is at 4.422453 -2.180738 2.404883 ESP Fit Center 1256 is at 4.778012 -1.952234 2.404883 ESP Fit Center 1257 is at 5.054791 -1.632814 2.404883 ESP Fit Center 1258 is at 3.595126 0.903352 2.086656 ESP Fit Center 1259 is at 5.112557 -1.987873 2.086656 ESP Fit Center 1260 is at 5.351676 -1.641450 2.086656 ESP Fit Center 1261 is at 3.491712 1.084585 1.723594 ESP Fit Center 1262 is at 5.566423 -1.644650 1.723594 ESP Fit Center 1263 is at 3.289337 1.163896 1.329649 ESP Fit Center 1264 is at 5.865242 -1.239693 0.919959 ESP Fit Center 1265 is at 5.823081 -1.244608 0.510269 ESP Fit Center 1266 is at 5.745740 -0.830003 0.116324 ESP Fit Center 1267 is at 5.700381 -1.247077 0.116324 ESP Fit Center 1268 is at 5.551679 -0.830003 -0.246739 ESP Fit Center 1269 is at 5.500941 -0.412137 -0.246739 ESP Fit Center 1270 is at 5.351676 -0.018557 -0.246739 ESP Fit Center 1271 is at 5.290517 -0.830003 -0.564965 ESP Fit Center 1272 is at 4.893506 -1.251463 -0.826127 ESP Fit Center 1273 is at 3.240849 1.196217 1.260204 ESP Fit Center 1274 is at 3.648693 1.359026 0.941977 ESP Fit Center 1275 is at 3.239989 1.459763 0.941977 ESP Fit Center 1276 is at 3.134559 -2.210894 -1.028355 ESP Fit Center 1277 is at 3.548566 -2.143021 -1.028355 ESP Fit Center 1278 is at 3.938303 -1.987736 -1.028355 ESP Fit Center 1279 is at 4.574060 -1.447720 -1.028355 ESP Fit Center 1280 is at 4.790352 -1.088239 -1.028355 ESP Fit Center 1281 is at 3.239989 -2.006948 -1.391418 ESP Fit Center 1282 is at 3.648693 -1.906212 -1.391418 ESP Fit Center 1283 is at 4.021412 -1.710593 -1.391418 ESP Fit Center 1284 is at 4.336486 -1.431462 -1.391418 ESP Fit Center 1285 is at 3.240849 -1.743402 -1.709644 ESP Fit Center 1286 is at 3.646382 -1.624327 -1.709644 ESP Fit Center 1287 is at 4.001941 -1.395823 -1.709644 ESP Fit Center 1288 is at 3.137171 -1.435313 -1.970806 ESP Fit Center 1289 is at 3.549564 -1.317977 -1.970806 ESP Fit Center 1290 is at 0.628607 -1.874573 3.001002 ESP Fit Center 1291 is at 0.846015 -1.498011 2.943757 ESP Fit Center 1292 is at 0.411199 -1.498011 2.943757 ESP Fit Center 1293 is at 0.193791 -1.874573 2.943757 ESP Fit Center 1294 is at 0.411199 -2.251135 2.943757 ESP Fit Center 1295 is at 0.846015 -2.251135 2.943757 ESP Fit Center 1296 is at 0.628607 -1.034573 2.775925 ESP Fit Center 1297 is at 0.208607 -1.147112 2.775925 ESP Fit Center 1298 is at -0.098854 -1.454573 2.775925 ESP Fit Center 1299 is at -0.211393 -1.874573 2.775925 ESP Fit Center 1300 is at -0.098854 -2.294573 2.775925 ESP Fit Center 1301 is at 0.208607 -2.602035 2.775925 ESP Fit Center 1302 is at 0.628607 -2.714573 2.775925 ESP Fit Center 1303 is at 1.048607 -2.602035 2.775925 ESP Fit Center 1304 is at 0.303512 -0.731983 2.508941 ESP Fit Center 1305 is at -0.087287 -0.926577 2.508941 ESP Fit Center 1306 is at -0.381400 -1.249204 2.508941 ESP Fit Center 1307 is at -0.539106 -1.656290 2.508941 ESP Fit Center 1308 is at -0.539106 -2.092856 2.508941 ESP Fit Center 1309 is at -0.381400 -2.499943 2.508941 ESP Fit Center 1310 is at -0.087287 -2.822569 2.508941 ESP Fit Center 1311 is at 0.303512 -3.017164 2.508941 ESP Fit Center 1312 is at 0.738216 -3.057445 2.508941 ESP Fit Center 1313 is at 0.304856 -0.456128 2.161002 ESP Fit Center 1314 is at -0.098854 -0.614573 2.161002 ESP Fit Center 1315 is at -0.437927 -0.884974 2.161002 ESP Fit Center 1316 is at -0.682233 -1.243306 2.161002 ESP Fit Center 1317 is at -0.810065 -1.657728 2.161002 ESP Fit Center 1318 is at -0.810065 -2.091418 2.161002 ESP Fit Center 1319 is at -0.682233 -2.505840 2.161002 ESP Fit Center 1320 is at -0.437927 -2.864172 2.161002 ESP Fit Center 1321 is at -0.098854 -3.134573 2.161002 ESP Fit Center 1322 is at 0.304856 -3.293018 2.161002 ESP Fit Center 1323 is at 0.737333 -3.325428 2.161002 ESP Fit Center 1324 is at 0.208607 -0.307112 1.755818 ESP Fit Center 1325 is at -0.182771 -0.469226 1.755818 ESP Fit Center 1326 is at -0.518854 -0.727112 1.755818 ESP Fit Center 1327 is at -0.776740 -1.063196 1.755818 ESP Fit Center 1328 is at -0.938854 -1.454573 1.755818 ESP Fit Center 1329 is at -0.994148 -1.874573 1.755818 ESP Fit Center 1330 is at -0.938854 -2.294573 1.755818 ESP Fit Center 1331 is at -0.776740 -2.685951 1.755818 ESP Fit Center 1332 is at -0.518854 -3.022035 1.755818 ESP Fit Center 1333 is at -0.182771 -3.279921 1.755818 ESP Fit Center 1334 is at 0.208607 -3.442035 1.755818 ESP Fit Center 1335 is at 0.628607 -3.497329 1.755818 ESP Fit Center 1336 is at -0.086702 -3.394683 1.321002 ESP Fit Center 1337 is at 0.313806 -3.524816 1.321002 ESP Fit Center 1338 is at 2.059408 -3.561407 2.074184 ESP Fit Center 1339 is at 2.479408 -3.448868 2.074184 ESP Fit Center 1340 is at 2.786869 -3.141407 2.074184 ESP Fit Center 1341 is at 1.343514 -3.669403 1.807200 ESP Fit Center 1342 is at 1.734313 -3.863997 1.807200 ESP Fit Center 1343 is at 2.169017 -3.904278 1.807200 ESP Fit Center 1344 is at 2.588918 -3.784806 1.807200 ESP Fit Center 1345 is at 2.937305 -3.521716 1.807200 ESP Fit Center 1346 is at 3.167128 -3.150540 1.807200 ESP Fit Center 1347 is at 0.992874 -3.711005 1.459261 ESP Fit Center 1348 is at 1.331946 -3.981407 1.459261 ESP Fit Center 1349 is at 1.735657 -4.139851 1.459261 ESP Fit Center 1350 is at 2.168134 -4.172261 1.459261 ESP Fit Center 1351 is at 2.590951 -4.075756 1.459261 ESP Fit Center 1352 is at 2.966537 -3.858911 1.459261 ESP Fit Center 1353 is at 3.261521 -3.540994 1.459261 ESP Fit Center 1354 is at 3.449692 -3.150253 1.459261 ESP Fit Center 1355 is at 0.911946 -3.868868 1.054077 ESP Fit Center 1356 is at 1.248030 -4.126754 1.054077 ESP Fit Center 1357 is at 1.639408 -4.288868 1.054077 ESP Fit Center 1358 is at 2.059408 -4.344162 1.054077 ESP Fit Center 1359 is at 2.479408 -4.288868 1.054077 ESP Fit Center 1360 is at 2.870785 -4.126754 1.054077 ESP Fit Center 1361 is at 3.206869 -3.868868 1.054077 ESP Fit Center 1362 is at 3.464755 -3.532784 1.054077 ESP Fit Center 1363 is at 0.700259 -3.708886 0.619261 ESP Fit Center 1364 is at 0.988535 -4.015869 0.619261 ESP Fit Center 1365 is at 1.344098 -4.241516 0.619261 ESP Fit Center 1366 is at 1.744607 -4.371649 0.619261 ESP Fit Center 1367 is at 2.164896 -4.398091 0.619261 ESP Fit Center 1368 is at 2.578556 -4.319182 0.619261 ESP Fit Center 1369 is at 2.959597 -4.139877 0.619261 ESP Fit Center 1370 is at 3.284075 -3.871446 0.619261 ESP Fit Center 1371 is at 3.531603 -3.530753 0.619261 ESP Fit Center 1372 is at 0.911946 -3.868868 0.184445 ESP Fit Center 1373 is at 1.248030 -4.126754 0.184445 ESP Fit Center 1374 is at 1.639408 -4.288868 0.184445 ESP Fit Center 1375 is at 2.059408 -4.344162 0.184445 ESP Fit Center 1376 is at 2.479408 -4.288868 0.184445 ESP Fit Center 1377 is at 2.870785 -4.126754 0.184445 ESP Fit Center 1378 is at 3.206869 -3.868868 0.184445 ESP Fit Center 1379 is at 3.464755 -3.532784 0.184445 ESP Fit Center 1380 is at 0.992874 -3.711005 -0.220739 ESP Fit Center 1381 is at 1.331946 -3.981407 -0.220739 ESP Fit Center 1382 is at 1.735657 -4.139851 -0.220739 ESP Fit Center 1383 is at 2.168134 -4.172261 -0.220739 ESP Fit Center 1384 is at 2.590951 -4.075756 -0.220739 ESP Fit Center 1385 is at 2.966537 -3.858911 -0.220739 ESP Fit Center 1386 is at 3.261521 -3.540994 -0.220739 ESP Fit Center 1387 is at 3.449692 -3.150253 -0.220739 ESP Fit Center 1388 is at 3.247347 -2.721407 -0.568678 ESP Fit Center 1389 is at 1.049401 -3.346776 -0.568678 ESP Fit Center 1390 is at 1.343514 -3.669403 -0.568678 ESP Fit Center 1391 is at 1.734313 -3.863997 -0.568678 ESP Fit Center 1392 is at 2.169017 -3.904278 -0.568678 ESP Fit Center 1393 is at 2.588918 -3.784806 -0.568678 ESP Fit Center 1394 is at 2.937305 -3.521716 -0.568678 ESP Fit Center 1395 is at 3.167128 -3.150540 -0.568678 ESP Fit Center 1396 is at 2.899408 -2.721407 -0.835662 ESP Fit Center 1397 is at 1.331946 -3.141407 -0.835662 ESP Fit Center 1398 is at 1.639408 -3.448868 -0.835662 ESP Fit Center 1399 is at 2.059408 -3.561407 -0.835662 ESP Fit Center 1400 is at 2.479408 -3.448868 -0.835662 ESP Fit Center 1401 is at 2.786869 -3.141407 -0.835662 ESP Fit Center 1402 is at 2.494224 -2.721407 -1.003494 ESP Fit Center 1403 is at 1.842000 -3.097968 -1.003494 ESP Fit Center 1404 is at 2.276816 -3.097968 -1.003494 ESP Fit Center 1405 is at 2.194702 -0.046339 3.786672 ESP Fit Center 1406 is at 2.629518 -0.046339 3.729428 ESP Fit Center 1407 is at 2.412110 0.330222 3.729428 ESP Fit Center 1408 is at 1.977294 0.330222 3.729428 ESP Fit Center 1409 is at 1.759886 -0.046339 3.729428 ESP Fit Center 1410 is at 2.922164 0.373661 3.561595 ESP Fit Center 1411 is at 2.614702 0.681122 3.561595 ESP Fit Center 1412 is at 2.194702 0.793661 3.561595 ESP Fit Center 1413 is at 1.774702 0.681122 3.561595 ESP Fit Center 1414 is at 1.467241 0.373661 3.561595 ESP Fit Center 1415 is at 1.354702 -0.046339 3.561595 ESP Fit Center 1416 is at 1.467241 -0.466339 3.561595 ESP Fit Center 1417 is at 3.302423 0.382794 3.294612 ESP Fit Center 1418 is at 3.072600 0.753970 3.294612 ESP Fit Center 1419 is at 2.724212 1.017060 3.294612 ESP Fit Center 1420 is at 2.304312 1.136532 3.294612 ESP Fit Center 1421 is at 1.869607 1.096251 3.294612 ESP Fit Center 1422 is at 1.478809 0.901657 3.294612 ESP Fit Center 1423 is at 1.184696 0.579030 3.294612 ESP Fit Center 1424 is at 1.026990 0.171944 3.294612 ESP Fit Center 1425 is at 1.026990 -0.264623 3.294612 ESP Fit Center 1426 is at 3.396816 0.773248 2.946672 ESP Fit Center 1427 is at 3.101832 1.091165 2.946672 ESP Fit Center 1428 is at 2.726245 1.308010 2.946672 ESP Fit Center 1429 is at 2.303429 1.404515 2.946672 ESP Fit Center 1430 is at 1.870952 1.372105 2.946672 ESP Fit Center 1431 is at 1.467241 1.213661 2.946672 ESP Fit Center 1432 is at 1.128169 0.943259 2.946672 ESP Fit Center 1433 is at 0.883862 0.584928 2.946672 ESP Fit Center 1434 is at 0.756030 0.170505 2.946672 ESP Fit Center 1435 is at 0.756030 -0.263184 2.946672 ESP Fit Center 1436 is at 3.600050 0.765038 2.541488 ESP Fit Center 1437 is at 3.342164 1.101122 2.541488 ESP Fit Center 1438 is at 3.006080 1.359008 2.541488 ESP Fit Center 1439 is at 2.614702 1.521122 2.541488 ESP Fit Center 1440 is at 0.789355 0.765038 2.541488 ESP Fit Center 1441 is at 0.627241 0.373661 2.541488 ESP Fit Center 1442 is at 0.571947 -0.046339 2.541488 ESP Fit Center 1443 is at 0.627241 -0.466339 2.541488 ESP Fit Center 1444 is at 3.419370 1.103700 2.106672 ESP Fit Center 1445 is at 3.094891 1.372131 2.106672 ESP Fit Center 1446 is at 0.632678 0.572110 2.106672 ESP Fit Center 1447 is at 0.527950 0.164220 2.106672 ESP Fit Center 1448 is at 0.527950 -0.256899 2.106672 ESP Fit Center 1449 is at 3.342164 1.101122 1.671856 ESP Fit Center 1450 is at 0.571947 -0.046339 1.671856 ESP Fit Center 1451 is at 2.851948 -1.586295 4.456506 ESP Fit Center 1452 is at 3.286764 -1.586295 4.399262 ESP Fit Center 1453 is at 3.069356 -1.209733 4.399262 ESP Fit Center 1454 is at 2.634540 -1.209733 4.399262 ESP Fit Center 1455 is at 2.417132 -1.586295 4.399262 ESP Fit Center 1456 is at 2.634540 -1.962857 4.399262 ESP Fit Center 1457 is at 3.069356 -1.962857 4.399262 ESP Fit Center 1458 is at 3.691948 -1.586295 4.231429 ESP Fit Center 1459 is at 3.579409 -1.166295 4.231429 ESP Fit Center 1460 is at 3.271948 -0.858834 4.231429 ESP Fit Center 1461 is at 2.851948 -0.746295 4.231429 ESP Fit Center 1462 is at 2.431948 -0.858834 4.231429 ESP Fit Center 1463 is at 2.124486 -1.166295 4.231429 ESP Fit Center 1464 is at 2.011948 -1.586295 4.231429 ESP Fit Center 1465 is at 2.124486 -2.006295 4.231429 ESP Fit Center 1466 is at 2.431948 -2.313757 4.231429 ESP Fit Center 1467 is at 2.851948 -2.426295 4.231429 ESP Fit Center 1468 is at 3.271948 -2.313757 4.231429 ESP Fit Center 1469 is at 3.579409 -2.006295 4.231429 ESP Fit Center 1470 is at 4.039887 -1.586295 3.964446 ESP Fit Center 1471 is at 3.959668 -1.157162 3.964446 ESP Fit Center 1472 is at 3.729846 -0.785986 3.964446 ESP Fit Center 1473 is at 3.381458 -0.522895 3.964446 ESP Fit Center 1474 is at 2.961557 -0.403423 3.964446 ESP Fit Center 1475 is at 2.526853 -0.443705 3.964446 ESP Fit Center 1476 is at 2.136054 -0.638299 3.964446 ESP Fit Center 1477 is at 1.841941 -0.960926 3.964446 ESP Fit Center 1478 is at 1.684235 -1.368012 3.964446 ESP Fit Center 1479 is at 1.684235 -1.804578 3.964446 ESP Fit Center 1480 is at 1.841941 -2.211665 3.964446 ESP Fit Center 1481 is at 2.136054 -2.534291 3.964446 ESP Fit Center 1482 is at 2.526853 -2.728886 3.964446 ESP Fit Center 1483 is at 2.961557 -2.769167 3.964446 ESP Fit Center 1484 is at 3.381458 -2.649695 3.964446 ESP Fit Center 1485 is at 3.729846 -2.386605 3.964446 ESP Fit Center 1486 is at 3.959668 -2.015428 3.964446 ESP Fit Center 1487 is at 4.306870 -1.586295 3.616506 ESP Fit Center 1488 is at 4.242232 -1.157449 3.616506 ESP Fit Center 1489 is at 4.054061 -0.766708 3.616506 ESP Fit Center 1490 is at 3.759077 -0.448791 3.616506 ESP Fit Center 1491 is at 1.413275 -1.369450 3.616506 ESP Fit Center 1492 is at 1.413275 -1.803140 3.616506 ESP Fit Center 1493 is at 1.541108 -2.217562 3.616506 ESP Fit Center 1494 is at 1.785414 -2.575894 3.616506 ESP Fit Center 1495 is at 2.124486 -2.846295 3.616506 ESP Fit Center 1496 is at 2.528197 -3.004740 3.616506 ESP Fit Center 1497 is at 2.960674 -3.037150 3.616506 ESP Fit Center 1498 is at 3.383491 -2.940645 3.616506 ESP Fit Center 1499 is at 3.759077 -2.723800 3.616506 ESP Fit Center 1500 is at 4.054061 -2.405882 3.616506 ESP Fit Center 1501 is at 4.242232 -2.015141 3.616506 ESP Fit Center 1502 is at 4.474703 -1.586295 3.211322 ESP Fit Center 1503 is at 4.419409 -1.166295 3.211322 ESP Fit Center 1504 is at 4.257295 -0.774917 3.211322 ESP Fit Center 1505 is at 1.284486 -2.006295 3.211322 ESP Fit Center 1506 is at 1.446600 -2.397673 3.211322 ESP Fit Center 1507 is at 1.704486 -2.733757 3.211322 ESP Fit Center 1508 is at 2.040570 -2.991643 3.211322 ESP Fit Center 1509 is at 2.431948 -3.153757 3.211322 ESP Fit Center 1510 is at 2.851948 -3.209051 3.211322 ESP Fit Center 1511 is at 3.271948 -3.153757 3.211322 ESP Fit Center 1512 is at 3.663325 -2.991643 3.211322 ESP Fit Center 1513 is at 3.999409 -2.733757 3.211322 ESP Fit Center 1514 is at 4.257295 -2.397673 3.211322 ESP Fit Center 1515 is at 4.419409 -2.006295 3.211322 ESP Fit Center 1516 is at 4.531948 -1.586295 2.776506 ESP Fit Center 1517 is at 1.781075 -2.880757 2.776506 ESP Fit Center 1518 is at 2.136639 -3.106405 2.776506 ESP Fit Center 1519 is at 2.537147 -3.236538 2.776506 ESP Fit Center 1520 is at 2.957436 -3.262980 2.776506 ESP Fit Center 1521 is at 3.371096 -3.184070 2.776506 ESP Fit Center 1522 is at 3.752137 -3.004766 2.776506 ESP Fit Center 1523 is at 4.076615 -2.736334 2.776506 ESP Fit Center 1524 is at 4.324143 -2.395641 2.776506 ESP Fit Center 1525 is at 4.479167 -2.004094 2.776506 ESP Fit Center 1526 is at 2.431948 -3.153757 2.341690 ESP Fit Center 1527 is at 2.851948 -3.209051 2.341690 ESP Fit Center 1528 is at 3.271948 -3.153757 2.341690 ESP Fit Center 1529 is at 3.663325 -2.991643 2.341690 ESP Fit Center 1530 is at 3.999409 -2.733757 2.341690 ESP Fit Center 1531 is at 4.257295 -2.397673 2.341690 ESP Fit Center 1532 is at 4.608052 -0.182553 2.980119 ESP Fit Center 1533 is at 5.042868 -0.182553 2.922875 ESP Fit Center 1534 is at 4.825460 0.194008 2.922875 ESP Fit Center 1535 is at 4.390644 0.194008 2.922875 ESP Fit Center 1536 is at 4.390644 -0.559115 2.922875 ESP Fit Center 1537 is at 4.825460 -0.559115 2.922875 ESP Fit Center 1538 is at 5.448052 -0.182553 2.755042 ESP Fit Center 1539 is at 5.335514 0.237447 2.755042 ESP Fit Center 1540 is at 5.028052 0.544908 2.755042 ESP Fit Center 1541 is at 4.608052 0.657447 2.755042 ESP Fit Center 1542 is at 4.188052 0.544908 2.755042 ESP Fit Center 1543 is at 5.028052 -0.910015 2.755042 ESP Fit Center 1544 is at 5.335514 -0.602553 2.755042 ESP Fit Center 1545 is at 5.795992 -0.182553 2.488059 ESP Fit Center 1546 is at 5.715773 0.246580 2.488059 ESP Fit Center 1547 is at 5.485950 0.617756 2.488059 ESP Fit Center 1548 is at 5.137563 0.880846 2.488059 ESP Fit Center 1549 is at 4.717662 1.000318 2.488059 ESP Fit Center 1550 is at 4.282957 0.960037 2.488059 ESP Fit Center 1551 is at 3.892159 0.765443 2.488059 ESP Fit Center 1552 is at 5.485950 -0.982863 2.488059 ESP Fit Center 1553 is at 5.715773 -0.611687 2.488059 ESP Fit Center 1554 is at 6.062975 -0.182553 2.140119 ESP Fit Center 1555 is at 5.998337 0.246293 2.140119 ESP Fit Center 1556 is at 5.810166 0.637034 2.140119 ESP Fit Center 1557 is at 5.515182 0.954951 2.140119 ESP Fit Center 1558 is at 5.139595 1.171796 2.140119 ESP Fit Center 1559 is at 4.716779 1.268301 2.140119 ESP Fit Center 1560 is at 4.284302 1.235891 2.140119 ESP Fit Center 1561 is at 3.880591 1.077447 2.140119 ESP Fit Center 1562 is at 5.515182 -1.320058 2.140119 ESP Fit Center 1563 is at 5.810166 -1.002141 2.140119 ESP Fit Center 1564 is at 5.998337 -0.611399 2.140119 ESP Fit Center 1565 is at 6.230808 -0.182553 1.734935 ESP Fit Center 1566 is at 6.175514 0.237447 1.734935 ESP Fit Center 1567 is at 6.013400 0.628824 1.734935 ESP Fit Center 1568 is at 5.755514 0.964908 1.734935 ESP Fit Center 1569 is at 5.419430 1.222794 1.734935 ESP Fit Center 1570 is at 5.028052 1.384908 1.734935 ESP Fit Center 1571 is at 4.608052 1.440202 1.734935 ESP Fit Center 1572 is at 4.188052 1.384908 1.734935 ESP Fit Center 1573 is at 3.796675 1.222794 1.734935 ESP Fit Center 1574 is at 5.755514 -1.330015 1.734935 ESP Fit Center 1575 is at 6.013400 -0.993931 1.734935 ESP Fit Center 1576 is at 6.175514 -0.602553 1.734935 ESP Fit Center 1577 is at 6.288052 -0.182553 1.300119 ESP Fit Center 1578 is at 6.235272 0.235246 1.300119 ESP Fit Center 1579 is at 6.080248 0.626793 1.300119 ESP Fit Center 1580 is at 5.832720 0.967486 1.300119 ESP Fit Center 1581 is at 5.508241 1.235918 1.300119 ESP Fit Center 1582 is at 5.127201 1.415222 1.300119 ESP Fit Center 1583 is at 4.713541 1.494132 1.300119 ESP Fit Center 1584 is at 4.293252 1.467689 1.300119 ESP Fit Center 1585 is at 3.892743 1.337556 1.300119 ESP Fit Center 1586 is at 5.832720 -1.332593 1.300119 ESP Fit Center 1587 is at 6.080248 -0.991900 1.300119 ESP Fit Center 1588 is at 6.235272 -0.600352 1.300119 ESP Fit Center 1589 is at 6.230808 -0.182553 0.865303 ESP Fit Center 1590 is at 6.175514 0.237447 0.865303 ESP Fit Center 1591 is at 6.013400 0.628824 0.865303 ESP Fit Center 1592 is at 5.755514 0.964908 0.865303 ESP Fit Center 1593 is at 5.419430 1.222794 0.865303 ESP Fit Center 1594 is at 5.028052 1.384908 0.865303 ESP Fit Center 1595 is at 4.608052 1.440202 0.865303 ESP Fit Center 1596 is at 4.188052 1.384908 0.865303 ESP Fit Center 1597 is at 6.013400 -0.993931 0.865303 ESP Fit Center 1598 is at 6.175514 -0.602553 0.865303 ESP Fit Center 1599 is at 6.062975 -0.182553 0.460119 ESP Fit Center 1600 is at 5.998337 0.246293 0.460119 ESP Fit Center 1601 is at 5.810166 0.637034 0.460119 ESP Fit Center 1602 is at 5.515182 0.954951 0.460119 ESP Fit Center 1603 is at 5.139595 1.171796 0.460119 ESP Fit Center 1604 is at 5.998337 -0.611399 0.460119 ESP Fit Center 1605 is at 5.795992 -0.182553 0.112180 ESP Fit Center 1606 is at 5.715773 0.246580 0.112180 ESP Fit Center 1607 is at 5.485950 0.617756 0.112180 ESP Fit Center 1608 is at 4.203006 -2.655088 2.092164 ESP Fit Center 1609 is at 4.623006 -2.542550 2.092164 ESP Fit Center 1610 is at 4.930467 -2.235088 2.092164 ESP Fit Center 1611 is at 3.877911 -2.957679 1.825180 ESP Fit Center 1612 is at 4.312615 -2.997960 1.825180 ESP Fit Center 1613 is at 4.732516 -2.878488 1.825180 ESP Fit Center 1614 is at 5.080904 -2.615398 1.825180 ESP Fit Center 1615 is at 5.310726 -2.244222 1.825180 ESP Fit Center 1616 is at 5.657928 -1.815088 1.477241 ESP Fit Center 1617 is at 3.475544 -3.075088 1.477241 ESP Fit Center 1618 is at 3.879255 -3.233533 1.477241 ESP Fit Center 1619 is at 4.311732 -3.265943 1.477241 ESP Fit Center 1620 is at 4.734549 -3.169438 1.477241 ESP Fit Center 1621 is at 5.110135 -2.952593 1.477241 ESP Fit Center 1622 is at 5.405119 -2.634676 1.477241 ESP Fit Center 1623 is at 5.593290 -2.243934 1.477241 ESP Fit Center 1624 is at 5.825761 -1.815088 1.072057 ESP Fit Center 1625 is at 3.783006 -3.382550 1.072057 ESP Fit Center 1626 is at 4.203006 -3.437844 1.072057 ESP Fit Center 1627 is at 4.623006 -3.382550 1.072057 ESP Fit Center 1628 is at 5.014383 -3.220436 1.072057 ESP Fit Center 1629 is at 5.350467 -2.962550 1.072057 ESP Fit Center 1630 is at 5.608353 -2.626466 1.072057 ESP Fit Center 1631 is at 5.770467 -2.235088 1.072057 ESP Fit Center 1632 is at 5.883006 -1.815088 0.637241 ESP Fit Center 1633 is at 5.830225 -1.397289 0.637241 ESP Fit Center 1634 is at 3.888205 -3.465331 0.637241 ESP Fit Center 1635 is at 4.308494 -3.491773 0.637241 ESP Fit Center 1636 is at 4.722154 -3.412863 0.637241 ESP Fit Center 1637 is at 5.103195 -3.233559 0.637241 ESP Fit Center 1638 is at 5.427673 -2.965128 0.637241 ESP Fit Center 1639 is at 5.675201 -2.624435 0.637241 ESP Fit Center 1640 is at 5.830225 -2.232887 0.637241 ESP Fit Center 1641 is at 5.825761 -1.815088 0.202425 ESP Fit Center 1642 is at 5.770467 -1.395088 0.202425 ESP Fit Center 1643 is at 3.783006 -3.382550 0.202425 ESP Fit Center 1644 is at 4.203006 -3.437844 0.202425 ESP Fit Center 1645 is at 4.623006 -3.382550 0.202425 ESP Fit Center 1646 is at 5.014383 -3.220436 0.202425 ESP Fit Center 1647 is at 5.350467 -2.962550 0.202425 ESP Fit Center 1648 is at 5.608353 -2.626466 0.202425 ESP Fit Center 1649 is at 5.770467 -2.235088 0.202425 ESP Fit Center 1650 is at 5.657928 -1.815088 -0.202759 ESP Fit Center 1651 is at 5.593290 -1.386242 -0.202759 ESP Fit Center 1652 is at 3.879255 -3.233533 -0.202759 ESP Fit Center 1653 is at 4.311732 -3.265943 -0.202759 ESP Fit Center 1654 is at 4.734549 -3.169438 -0.202759 ESP Fit Center 1655 is at 5.110135 -2.952593 -0.202759 ESP Fit Center 1656 is at 5.405119 -2.634676 -0.202759 ESP Fit Center 1657 is at 5.593290 -2.243934 -0.202759 ESP Fit Center 1658 is at 5.390945 -1.815088 -0.550698 ESP Fit Center 1659 is at 5.310726 -1.385955 -0.550698 ESP Fit Center 1660 is at 3.487112 -2.763085 -0.550698 ESP Fit Center 1661 is at 3.877911 -2.957679 -0.550698 ESP Fit Center 1662 is at 4.312615 -2.997960 -0.550698 ESP Fit Center 1663 is at 4.732516 -2.878488 -0.550698 ESP Fit Center 1664 is at 5.080904 -2.615398 -0.550698 ESP Fit Center 1665 is at 5.310726 -2.244222 -0.550698 ESP Fit Center 1666 is at 5.043006 -1.815088 -0.817682 ESP Fit Center 1667 is at 4.930467 -1.395088 -0.817682 ESP Fit Center 1668 is at 3.783006 -2.542550 -0.817682 ESP Fit Center 1669 is at 4.203006 -2.655088 -0.817682 ESP Fit Center 1670 is at 4.623006 -2.542550 -0.817682 ESP Fit Center 1671 is at 4.930467 -2.235088 -0.817682 ESP Fit Center 1672 is at 4.637822 -1.815088 -0.985514 ESP Fit Center 1673 is at 3.985598 -2.191650 -0.985514 ESP Fit Center 1674 is at 4.420414 -2.191650 -0.985514 ESP Fit Center 1675 is at 4.203006 -1.815088 -1.042759 ESP Fit Center 1676 is at 4.344764 1.361678 0.687553 ESP Fit Center 1677 is at 4.002606 1.620064 0.687553 ESP Fit Center 1678 is at 3.590214 1.737399 0.687553 ESP Fit Center 1679 is at 3.163283 1.697838 0.687553 ESP Fit Center 1680 is at 4.731762 1.378489 0.426391 ESP Fit Center 1681 is at 4.454983 1.697910 0.426391 ESP Fit Center 1682 is at 4.099424 1.926413 0.426391 ESP Fit Center 1683 is at 3.693891 2.045489 0.426391 ESP Fit Center 1684 is at 3.271238 2.045489 0.426391 ESP Fit Center 1685 is at 5.177913 0.993545 0.108164 ESP Fit Center 1686 is at 5.028647 1.387126 0.108164 ESP Fit Center 1687 is at 4.789529 1.733548 0.108164 ESP Fit Center 1688 is at 4.474454 2.012680 0.108164 ESP Fit Center 1689 is at 4.101735 2.208298 0.108164 ESP Fit Center 1690 is at 3.693032 2.309034 0.108164 ESP Fit Center 1691 is at 3.272097 2.309034 0.108164 ESP Fit Center 1692 is at 2.863394 2.208298 0.108164 ESP Fit Center 1693 is at 5.422711 0.575679 -0.254898 ESP Fit Center 1694 is at 5.377352 0.992753 -0.254898 ESP Fit Center 1695 is at 5.243394 1.390325 -0.254898 ESP Fit Center 1696 is at 5.027102 1.749806 -0.254898 ESP Fit Center 1697 is at 4.738589 2.054385 -0.254898 ESP Fit Center 1698 is at 4.391346 2.289822 -0.254898 ESP Fit Center 1699 is at 4.001609 2.445107 -0.254898 ESP Fit Center 1700 is at 3.587602 2.512980 -0.254898 ESP Fit Center 1701 is at 3.168684 2.490267 -0.254898 ESP Fit Center 1702 is at 2.764442 2.378030 -0.254898 ESP Fit Center 1703 is at 5.377352 0.158605 -0.254898 ESP Fit Center 1704 is at 5.542214 0.575679 -0.648844 ESP Fit Center 1705 is at 5.500052 0.990283 -0.648844 ESP Fit Center 1706 is at 5.375295 1.387913 -0.648844 ESP Fit Center 1707 is at 5.173049 1.752291 -0.648844 ESP Fit Center 1708 is at 4.901595 2.068498 -0.648844 ESP Fit Center 1709 is at 4.572045 2.323588 -0.648844 ESP Fit Center 1710 is at 4.197891 2.507119 -0.648844 ESP Fit Center 1711 is at 3.794453 2.611577 -0.648844 ESP Fit Center 1712 is at 3.378245 2.632684 -0.648844 ESP Fit Center 1713 is at 2.966308 2.569578 -0.648844 ESP Fit Center 1714 is at 5.375295 -0.236556 -0.648844 ESP Fit Center 1715 is at 5.500052 0.161075 -0.648844 ESP Fit Center 1716 is at 5.582564 0.575679 -1.058533 ESP Fit Center 1717 is at 5.542214 0.985368 -1.058533 ESP Fit Center 1718 is at 5.422711 1.379314 -1.058533 ESP Fit Center 1719 is at 5.228651 1.742376 -1.058533 ESP Fit Center 1720 is at 4.967489 2.060603 -1.058533 ESP Fit Center 1721 is at 4.649262 2.321765 -1.058533 ESP Fit Center 1722 is at 4.286200 2.515826 -1.058533 ESP Fit Center 1723 is at 3.892254 2.635328 -1.058533 ESP Fit Center 1724 is at 3.482564 2.675679 -1.058533 ESP Fit Center 1725 is at 3.072875 2.635328 -1.058533 ESP Fit Center 1726 is at 4.967489 -0.909245 -1.058533 ESP Fit Center 1727 is at 5.228651 -0.591019 -1.058533 ESP Fit Center 1728 is at 5.422711 -0.227956 -1.058533 ESP Fit Center 1729 is at 5.542214 0.165989 -1.058533 ESP Fit Center 1730 is at 5.542214 0.575679 -1.468223 ESP Fit Center 1731 is at 5.500052 0.990283 -1.468223 ESP Fit Center 1732 is at 5.375295 1.387913 -1.468223 ESP Fit Center 1733 is at 5.173049 1.752291 -1.468223 ESP Fit Center 1734 is at 4.901595 2.068498 -1.468223 ESP Fit Center 1735 is at 4.572045 2.323588 -1.468223 ESP Fit Center 1736 is at 4.197891 2.507119 -1.468223 ESP Fit Center 1737 is at 3.794453 2.611577 -1.468223 ESP Fit Center 1738 is at 3.378245 2.632684 -1.468223 ESP Fit Center 1739 is at 4.572045 -1.172231 -1.468223 ESP Fit Center 1740 is at 4.901595 -0.917140 -1.468223 ESP Fit Center 1741 is at 5.173049 -0.600933 -1.468223 ESP Fit Center 1742 is at 5.375295 -0.236556 -1.468223 ESP Fit Center 1743 is at 5.500052 0.161075 -1.468223 ESP Fit Center 1744 is at 5.422711 0.575679 -1.862169 ESP Fit Center 1745 is at 5.377352 0.992753 -1.862169 ESP Fit Center 1746 is at 5.243394 1.390325 -1.862169 ESP Fit Center 1747 is at 5.027102 1.749806 -1.862169 ESP Fit Center 1748 is at 4.738589 2.054385 -1.862169 ESP Fit Center 1749 is at 4.391346 2.289822 -1.862169 ESP Fit Center 1750 is at 4.001609 2.445107 -1.862169 ESP Fit Center 1751 is at 3.587602 2.512980 -1.862169 ESP Fit Center 1752 is at 4.001609 -1.293750 -1.862169 ESP Fit Center 1753 is at 4.391346 -1.138464 -1.862169 ESP Fit Center 1754 is at 4.738589 -0.903028 -1.862169 ESP Fit Center 1755 is at 5.027102 -0.598448 -1.862169 ESP Fit Center 1756 is at 5.243394 -0.238968 -1.862169 ESP Fit Center 1757 is at 5.377352 0.158605 -1.862169 ESP Fit Center 1758 is at 5.228651 0.575679 -2.225231 ESP Fit Center 1759 is at 5.177913 0.993545 -2.225231 ESP Fit Center 1760 is at 5.028647 1.387126 -2.225231 ESP Fit Center 1761 is at 4.789529 1.733548 -2.225231 ESP Fit Center 1762 is at 4.474454 2.012680 -2.225231 ESP Fit Center 1763 is at 4.101735 2.208298 -2.225231 ESP Fit Center 1764 is at 2.863394 -1.056940 -2.225231 ESP Fit Center 1765 is at 3.272097 -1.157676 -2.225231 ESP Fit Center 1766 is at 3.693032 -1.157676 -2.225231 ESP Fit Center 1767 is at 4.101735 -1.056940 -2.225231 ESP Fit Center 1768 is at 4.474454 -0.861322 -2.225231 ESP Fit Center 1769 is at 4.789529 -0.582190 -2.225231 ESP Fit Center 1770 is at 5.028647 -0.235768 -2.225231 ESP Fit Center 1771 is at 5.177913 0.157813 -2.225231 ESP Fit Center 1772 is at 4.967489 0.575679 -2.543458 ESP Fit Center 1773 is at 4.907339 0.994030 -2.543458 ESP Fit Center 1774 is at 4.731762 1.378489 -2.543458 ESP Fit Center 1775 is at 4.454983 1.697910 -2.543458 ESP Fit Center 1776 is at 4.099424 1.926413 -2.543458 ESP Fit Center 1777 is at 2.510146 -0.546552 -2.543458 ESP Fit Center 1778 is at 2.865705 -0.775056 -2.543458 ESP Fit Center 1779 is at 3.271238 -0.894131 -2.543458 ESP Fit Center 1780 is at 3.693891 -0.894131 -2.543458 ESP Fit Center 1781 is at 4.099424 -0.775056 -2.543458 ESP Fit Center 1782 is at 4.454983 -0.546552 -2.543458 ESP Fit Center 1783 is at 4.731762 -0.227132 -2.543458 ESP Fit Center 1784 is at 4.907339 0.157327 -2.543458 ESP Fit Center 1785 is at 4.649262 0.575679 -2.804620 ESP Fit Center 1786 is at 4.570477 0.997139 -2.804620 ESP Fit Center 1787 is at 4.344764 1.361678 -2.804620 ESP Fit Center 1788 is at 3.163283 -0.546481 -2.804620 ESP Fit Center 1789 is at 3.590214 -0.586042 -2.804620 ESP Fit Center 1790 is at 4.002606 -0.468706 -2.804620 ESP Fit Center 1791 is at 4.344764 -0.210320 -2.804620 ESP Fit Center 1792 is at 4.570477 0.154219 -2.804620 ESP Fit Center 1793 is at 4.286200 0.575679 -2.998680 ESP Fit Center 1794 is at 4.178533 0.977496 -2.998680 ESP Fit Center 1795 is at 3.482564 -0.227956 -2.998680 ESP Fit Center 1796 is at 3.884382 -0.120290 -2.998680 ESP Fit Center 1797 is at 4.178533 0.173861 -2.998680 ESP Fit Center 1798 is at 3.732244 2.322651 -2.233645 ESP Fit Center 1799 is at 3.340866 2.484765 -2.233645 ESP Fit Center 1800 is at 3.827996 2.054808 -2.638829 ESP Fit Center 1801 is at 3.452409 2.271653 -2.638829 ESP Fit Center 1802 is at 3.029593 2.368158 -2.638829 ESP Fit Center 1803 is at 2.597115 -0.501141 -2.638829 ESP Fit Center 1804 is at 4.028587 1.346437 -2.986769 ESP Fit Center 1805 is at 3.798764 1.717614 -2.986769 ESP Fit Center 1806 is at 3.450376 1.980704 -2.986769 ESP Fit Center 1807 is at 3.030475 2.100176 -2.986769 ESP Fit Center 1808 is at 2.595771 2.059895 -2.986769 ESP Fit Center 1809 is at 2.204973 1.865300 -2.986769 ESP Fit Center 1810 is at 2.595771 -0.225287 -2.986769 ESP Fit Center 1811 is at 3.030475 -0.265568 -2.986769 ESP Fit Center 1812 is at 3.760866 0.917304 -3.253752 ESP Fit Center 1813 is at 3.648327 1.337304 -3.253752 ESP Fit Center 1814 is at 3.340866 1.644765 -3.253752 ESP Fit Center 1815 is at 2.920866 1.757304 -3.253752 ESP Fit Center 1816 is at 2.500866 1.644765 -3.253752 ESP Fit Center 1817 is at 2.193405 1.337304 -3.253752 ESP Fit Center 1818 is at 2.080866 0.917304 -3.253752 ESP Fit Center 1819 is at 2.193405 0.497304 -3.253752 ESP Fit Center 1820 is at 2.500866 0.189843 -3.253752 ESP Fit Center 1821 is at 2.920866 0.077304 -3.253752 ESP Fit Center 1822 is at 3.340866 0.189843 -3.253752 ESP Fit Center 1823 is at 3.648327 0.497304 -3.253752 ESP Fit Center 1824 is at 3.355682 0.917304 -3.421585 ESP Fit Center 1825 is at 3.138274 1.293866 -3.421585 ESP Fit Center 1826 is at 2.703458 1.293866 -3.421585 ESP Fit Center 1827 is at 2.486050 0.917304 -3.421585 ESP Fit Center 1828 is at 2.703458 0.540742 -3.421585 ESP Fit Center 1829 is at 3.138274 0.540742 -3.421585 ESP Fit Center 1830 is at 2.920866 0.917304 -3.478829 ESP Fit Center 1831 is at -1.368279 3.012390 -2.225550 ESP Fit Center 1832 is at -1.481628 2.607844 -2.225550 ESP Fit Center 1833 is at -1.080938 2.808205 -2.465505 ESP Fit Center 1834 is at -1.153306 2.397781 -2.465505 ESP Fit Center 1835 is at 1.734482 2.542080 3.131731 ESP Fit Center 1836 is at 1.624509 2.952504 3.131731 ESP Fit Center 1837 is at 1.324058 1.831204 3.131731 ESP Fit Center 1838 is at 1.624509 2.131656 3.131731 ESP Fit Center 1839 is at 2.113634 2.542080 2.954930 ESP Fit Center 1840 is at 2.041265 2.952504 2.954930 ESP Fit Center 1841 is at 1.832887 3.313425 2.954930 ESP Fit Center 1842 is at 1.513634 3.581310 2.954930 ESP Fit Center 1843 is at 1.122011 1.360311 2.954930 ESP Fit Center 1844 is at 1.832887 1.770735 2.954930 ESP Fit Center 1845 is at 2.041265 2.131656 2.954930 ESP Fit Center 1846 is at 2.456324 2.542080 2.714976 ESP Fit Center 1847 is at 2.399117 2.958293 2.714976 ESP Fit Center 1848 is at 2.231738 3.343637 2.714976 ESP Fit Center 1849 is at 1.966602 3.669534 2.714976 ESP Fit Center 1850 is at 1.623371 3.911812 2.714976 ESP Fit Center 1851 is at 1.227503 4.052503 2.714976 ESP Fit Center 1852 is at 2.399117 2.125867 2.714976 ESP Fit Center 1853 is at 2.752140 2.542080 2.419159 ESP Fit Center 1854 is at 2.702583 2.966069 2.419159 ESP Fit Center 1855 is at 2.556583 3.367200 2.419159 ESP Fit Center 1856 is at 1.232887 4.352656 2.419159 ESP Fit Center 1857 is at 0.386344 0.780810 2.419159 ESP Fit Center 1858 is at 2.992095 2.542080 2.076469 ESP Fit Center 1859 is at 2.949548 2.960471 2.076469 ESP Fit Center 1860 is at 0.808361 4.617873 2.076469 ESP Fit Center 1861 is at -0.001708 0.676028 2.076469 ESP Fit Center 1862 is at 3.168896 2.542080 1.697318 ESP Fit Center 1863 is at 0.592676 4.774387 1.697318 ESP Fit Center 1864 is at 0.176010 4.673305 1.697318 ESP Fit Center 1865 is at 3.277172 2.542080 1.293225 ESP Fit Center 1866 is at 0.387697 4.846360 1.293225 ESP Fit Center 1867 is at -0.015296 4.715419 1.293225 ESP Fit Center 1868 is at -0.388433 4.514626 1.293225 ESP Fit Center 1869 is at 3.313634 2.542080 0.876469 ESP Fit Center 1870 is at 0.092785 4.797342 0.876469 ESP Fit Center 1871 is at 3.277172 2.542080 0.459714 ESP Fit Center 1872 is at 0.075285 4.233934 -2.127023 ESP Fit Center 1873 is at -0.102810 3.979969 -2.512472 ESP Fit Center 1874 is at -0.441945 3.733574 -2.512472 ESP Fit Center 1875 is at -0.722440 3.422052 -2.512472 ESP Fit Center 1876 is at -0.932037 3.059019 -2.512472 ESP Fit Center 1877 is at -1.061575 2.660342 -2.512472 ESP Fit Center 1878 is at -1.105393 2.243445 -2.512472 ESP Fit Center 1879 is at 0.387095 3.955907 -2.863919 ESP Fit Center 1880 is at 0.005994 3.791516 -2.863919 ESP Fit Center 1881 is at -0.326924 3.543668 -2.863919 ESP Fit Center 1882 is at -0.593711 3.225724 -2.863919 ESP Fit Center 1883 is at -0.779983 2.854826 -2.863919 ESP Fit Center 1884 is at -0.875699 2.450968 -2.863919 ESP Fit Center 1885 is at -0.875699 2.035922 -2.863919 ESP Fit Center 1886 is at -0.779983 1.632064 -2.863919 ESP Fit Center 1887 is at -0.593711 1.261165 -2.863919 ESP Fit Center 1888 is at 2.408851 2.243445 -3.169398 ESP Fit Center 1889 is at 0.685009 3.737163 -3.169398 ESP Fit Center 1890 is at 0.272879 3.616151 -3.169398 ESP Fit Center 1891 is at -0.088463 3.383930 -3.169398 ESP Fit Center 1892 is at -0.369744 3.059314 -3.169398 ESP Fit Center 1893 is at -0.548177 2.668601 -3.169398 ESP Fit Center 1894 is at -0.609305 2.243445 -3.169398 ESP Fit Center 1895 is at -0.548177 1.818289 -3.169398 ESP Fit Center 1896 is at -0.369744 1.427576 -3.169398 ESP Fit Center 1897 is at -0.088463 1.102960 -3.169398 ESP Fit Center 1898 is at 2.078981 2.243445 -3.418504 ESP Fit Center 1899 is at 1.999352 2.669424 -3.418504 ESP Fit Center 1900 is at 1.008577 3.417623 -3.418504 ESP Fit Center 1901 is at 0.577067 3.377638 -3.418504 ESP Fit Center 1902 is at 0.189141 3.184473 -3.418504 ESP Fit Center 1903 is at -0.102810 2.864218 -3.418504 ESP Fit Center 1904 is at -0.259357 2.460124 -3.418504 ESP Fit Center 1905 is at -0.259357 2.026766 -3.418504 ESP Fit Center 1906 is at -0.102810 1.622672 -3.418504 ESP Fit Center 1907 is at 0.189141 1.302417 -3.418504 ESP Fit Center 1908 is at 1.771218 1.449018 -3.418504 ESP Fit Center 1909 is at 1.999352 1.817466 -3.418504 ESP Fit Center 1910 is at 1.708954 2.243445 -3.602755 ESP Fit Center 1911 is at 1.600545 2.648036 -3.602755 ESP Fit Center 1912 is at 1.304364 2.944217 -3.602755 ESP Fit Center 1913 is at 0.899773 3.052626 -3.602755 ESP Fit Center 1914 is at 0.495182 2.944217 -3.602755 ESP Fit Center 1915 is at 0.199001 2.648036 -3.602755 ESP Fit Center 1916 is at 0.090592 2.243445 -3.602755 ESP Fit Center 1917 is at 0.199001 1.838854 -3.602755 ESP Fit Center 1918 is at 0.495182 1.542673 -3.602755 ESP Fit Center 1919 is at 0.899773 1.434264 -3.602755 ESP Fit Center 1920 is at 1.304364 1.542673 -3.602755 ESP Fit Center 1921 is at 1.600545 1.838854 -3.602755 ESP Fit Center 1922 is at 1.311372 2.243445 -3.715877 ESP Fit Center 1923 is at 1.105572 2.599900 -3.715877 ESP Fit Center 1924 is at 0.693973 2.599900 -3.715877 ESP Fit Center 1925 is at 0.488174 2.243445 -3.715877 ESP Fit Center 1926 is at 0.693973 1.886990 -3.715877 ESP Fit Center 1927 is at 1.105572 1.886990 -3.715877 ESP Fit Center 1928 is at 0.899773 2.243445 -3.754018 ESP Fit Center 1929 is at -3.698837 -1.517633 2.728172 ESP Fit Center 1930 is at -3.287239 -1.517633 2.690032 ESP Fit Center 1931 is at -3.493038 -1.161178 2.690032 ESP Fit Center 1932 is at -3.904637 -1.161178 2.690032 ESP Fit Center 1933 is at -4.110436 -1.517633 2.690032 ESP Fit Center 1934 is at -3.904637 -1.874088 2.690032 ESP Fit Center 1935 is at -3.493038 -1.874088 2.690032 ESP Fit Center 1936 is at -2.889656 -1.517633 2.576910 ESP Fit Center 1937 is at -3.698837 -0.708452 2.576910 ESP Fit Center 1938 is at -4.103428 -0.816862 2.576910 ESP Fit Center 1939 is at -4.399609 -1.113043 2.576910 ESP Fit Center 1940 is at -4.508019 -1.517633 2.576910 ESP Fit Center 1941 is at -4.399609 -1.922224 2.576910 ESP Fit Center 1942 is at -4.103428 -2.218405 2.576910 ESP Fit Center 1943 is at -3.698837 -2.326815 2.576910 ESP Fit Center 1944 is at -3.294247 -2.218405 2.576910 ESP Fit Center 1945 is at -2.998066 -1.922224 2.576910 ESP Fit Center 1946 is at -4.409469 -0.576605 2.392658 ESP Fit Center 1947 is at -4.701420 -0.896860 2.392658 ESP Fit Center 1948 is at -4.857967 -1.300954 2.392658 ESP Fit Center 1949 is at -4.857967 -1.734312 2.392658 ESP Fit Center 1950 is at -4.701420 -2.138406 2.392658 ESP Fit Center 1951 is at -4.409469 -2.458662 2.392658 ESP Fit Center 1952 is at -4.021543 -2.651826 2.392658 ESP Fit Center 1953 is at -3.590034 -2.691811 2.392658 ESP Fit Center 1954 is at -3.173219 -2.573217 2.392658 ESP Fit Center 1955 is at -2.827392 -2.312061 2.392658 ESP Fit Center 1956 is at -2.599259 -1.943612 2.392658 ESP Fit Center 1957 is at -4.968355 -0.701764 2.143552 ESP Fit Center 1958 is at -5.146787 -1.092477 2.143552 ESP Fit Center 1959 is at -5.207916 -1.517633 2.143552 ESP Fit Center 1960 is at -5.146787 -1.942790 2.143552 ESP Fit Center 1961 is at -4.968355 -2.333503 2.143552 ESP Fit Center 1962 is at -4.687074 -2.658119 2.143552 ESP Fit Center 1963 is at -4.325731 -2.890339 2.143552 ESP Fit Center 1964 is at -3.913602 -3.011351 2.143552 ESP Fit Center 1965 is at -3.484073 -3.011351 2.143552 ESP Fit Center 1966 is at -3.071944 -2.890339 2.143552 ESP Fit Center 1967 is at -2.710601 -2.658119 2.143552 ESP Fit Center 1968 is at -2.429320 -2.333503 2.143552 ESP Fit Center 1969 is at -5.192321 -0.535354 1.838073 ESP Fit Center 1970 is at -5.378593 -0.906252 1.838073 ESP Fit Center 1971 is at -5.474309 -1.310110 1.838073 ESP Fit Center 1972 is at -5.474309 -1.725156 1.838073 ESP Fit Center 1973 is at -5.378593 -2.129014 1.838073 ESP Fit Center 1974 is at -5.192321 -2.499913 1.838073 ESP Fit Center 1975 is at -4.925535 -2.817856 1.838073 ESP Fit Center 1976 is at -4.592617 -3.065704 1.838073 ESP Fit Center 1977 is at -4.211515 -3.230096 1.838073 ESP Fit Center 1978 is at -3.802775 -3.302168 1.838073 ESP Fit Center 1979 is at -3.388431 -3.278035 1.838073 ESP Fit Center 1980 is at -2.990822 -3.158998 1.838073 ESP Fit Center 1981 is at -2.631382 -2.951475 1.838073 ESP Fit Center 1982 is at -2.329488 -2.666654 1.838073 ESP Fit Center 1983 is at -5.530648 -0.702059 1.486626 ESP Fit Center 1984 is at -5.660186 -1.100736 1.486626 ESP Fit Center 1985 is at -5.704003 -1.517633 1.486626 ESP Fit Center 1986 is at -5.660186 -1.934531 1.486626 ESP Fit Center 1987 is at -5.530648 -2.333208 1.486626 ESP Fit Center 1988 is at -5.321051 -2.696240 1.486626 ESP Fit Center 1989 is at -5.040555 -3.007762 1.486626 ESP Fit Center 1990 is at -4.701420 -3.254158 1.486626 ESP Fit Center 1991 is at -4.318468 -3.424659 1.486626 ESP Fit Center 1992 is at -3.908434 -3.511815 1.486626 ESP Fit Center 1993 is at -3.489241 -3.511815 1.486626 ESP Fit Center 1994 is at -3.079207 -3.424659 1.486626 ESP Fit Center 1995 is at -5.490230 -0.320663 1.101177 ESP Fit Center 1996 is at -5.689326 -0.693146 1.101177 ESP Fit Center 1997 is at -5.811929 -1.097313 1.101177 ESP Fit Center 1998 is at -5.853327 -1.517633 1.101177 ESP Fit Center 1999 is at -5.811929 -1.937953 1.101177 ESP Fit Center 2000 is at -5.689326 -2.342121 1.101177 ESP Fit Center 2001 is at -5.490230 -2.714603 1.101177 ESP Fit Center 2002 is at -5.222292 -3.041087 1.101177 ESP Fit Center 2003 is at -4.895808 -3.309026 1.101177 ESP Fit Center 2004 is at -4.523325 -3.508122 1.101177 ESP Fit Center 2005 is at -4.119158 -3.630725 1.101177 ESP Fit Center 2006 is at -3.698837 -3.672123 1.101177 ESP Fit Center 2007 is at -3.278517 -3.630725 1.101177 ESP Fit Center 2008 is at -5.681336 -0.495584 0.694853 ESP Fit Center 2009 is at -5.838933 -0.889244 0.694853 ESP Fit Center 2010 is at -5.919182 -1.305616 0.694853 ESP Fit Center 2011 is at -5.919182 -1.729651 0.694853 ESP Fit Center 2012 is at -5.838933 -2.146022 0.694853 ESP Fit Center 2013 is at -5.681336 -2.539682 0.694853 ESP Fit Center 2014 is at -5.452085 -2.896403 0.694853 ESP Fit Center 2015 is at -5.159468 -3.203291 0.694853 ESP Fit Center 2016 is at -4.814060 -3.449255 0.694853 ESP Fit Center 2017 is at -4.428344 -3.625405 0.694853 ESP Fit Center 2018 is at -4.016263 -3.725375 0.694853 ESP Fit Center 2019 is at -3.592709 -3.745552 0.694853 ESP Fit Center 2020 is at -5.452085 -0.138864 0.281491 ESP Fit Center 2021 is at -5.681336 -0.495584 0.281491 ESP Fit Center 2022 is at -5.838933 -0.889244 0.281491 ESP Fit Center 2023 is at -5.919182 -1.305616 0.281491 ESP Fit Center 2024 is at -5.919182 -1.729651 0.281491 ESP Fit Center 2025 is at -5.838933 -2.146022 0.281491 ESP Fit Center 2026 is at -5.681336 -2.539682 0.281491 ESP Fit Center 2027 is at -5.452085 -2.896403 0.281491 ESP Fit Center 2028 is at -5.159468 -3.203291 0.281491 ESP Fit Center 2029 is at -4.814060 -3.449255 0.281491 ESP Fit Center 2030 is at -4.428344 -3.625405 0.281491 ESP Fit Center 2031 is at -4.016263 -3.725375 0.281491 ESP Fit Center 2032 is at -5.490230 -0.320663 -0.124833 ESP Fit Center 2033 is at -5.689326 -0.693146 -0.124833 ESP Fit Center 2034 is at -5.811929 -1.097313 -0.124833 ESP Fit Center 2035 is at -5.853327 -1.517633 -0.124833 ESP Fit Center 2036 is at -5.811929 -1.937953 -0.124833 ESP Fit Center 2037 is at -5.689326 -2.342121 -0.124833 ESP Fit Center 2038 is at -5.490230 -2.714603 -0.124833 ESP Fit Center 2039 is at -5.222292 -3.041087 -0.124833 ESP Fit Center 2040 is at -4.895808 -3.309026 -0.124833 ESP Fit Center 2041 is at -4.523325 -3.508122 -0.124833 ESP Fit Center 2042 is at -4.119158 -3.630725 -0.124833 ESP Fit Center 2043 is at -5.321051 -0.339026 -0.510282 ESP Fit Center 2044 is at -5.530648 -0.702059 -0.510282 ESP Fit Center 2045 is at -5.660186 -1.100736 -0.510282 ESP Fit Center 2046 is at -5.704003 -1.517633 -0.510282 ESP Fit Center 2047 is at -5.660186 -1.934531 -0.510282 ESP Fit Center 2048 is at -5.530648 -2.333208 -0.510282 ESP Fit Center 2049 is at -5.321051 -2.696240 -0.510282 ESP Fit Center 2050 is at -5.040555 -3.007762 -0.510282 ESP Fit Center 2051 is at -4.701420 -3.254158 -0.510282 ESP Fit Center 2052 is at -4.318468 -3.424659 -0.510282 ESP Fit Center 2053 is at -4.925535 -0.217410 -0.861730 ESP Fit Center 2054 is at -5.192321 -0.535354 -0.861730 ESP Fit Center 2055 is at -5.378593 -0.906252 -0.861730 ESP Fit Center 2056 is at -5.474309 -1.310110 -0.861730 ESP Fit Center 2057 is at -5.474309 -1.725156 -0.861730 ESP Fit Center 2058 is at -5.378593 -2.129014 -0.861730 ESP Fit Center 2059 is at -5.192321 -2.499913 -0.861730 ESP Fit Center 2060 is at -4.925535 -2.817856 -0.861730 ESP Fit Center 2061 is at -4.592617 -3.065704 -0.861730 ESP Fit Center 2062 is at -4.211515 -3.230096 -0.861730 ESP Fit Center 2063 is at -4.968355 -0.701764 -1.167208 ESP Fit Center 2064 is at -5.146787 -1.092477 -1.167208 ESP Fit Center 2065 is at -5.207916 -1.517633 -1.167208 ESP Fit Center 2066 is at -5.146787 -1.942790 -1.167208 ESP Fit Center 2067 is at -4.968355 -2.333503 -1.167208 ESP Fit Center 2068 is at -4.687074 -2.658119 -1.167208 ESP Fit Center 2069 is at -4.325731 -2.890339 -1.167208 ESP Fit Center 2070 is at -4.701420 -0.896860 -1.416314 ESP Fit Center 2071 is at -4.857967 -1.300954 -1.416314 ESP Fit Center 2072 is at -4.857967 -1.734312 -1.416314 ESP Fit Center 2073 is at -4.701420 -2.138406 -1.416314 ESP Fit Center 2074 is at -4.409469 -2.458662 -1.416314 ESP Fit Center 2075 is at -4.021543 -2.651826 -1.416314 ESP Fit Center 2076 is at -4.399609 -1.113043 -1.600566 ESP Fit Center 2077 is at -4.508019 -1.517633 -1.600566 ESP Fit Center 2078 is at -4.399609 -1.922224 -1.600566 ESP Fit Center 2079 is at -4.103428 -2.218405 -1.600566 ESP Fit Center 2080 is at -4.110436 -1.517633 -1.713688 ESP Fit Center 2081 is at -3.904637 -1.874088 -1.713688 ESP Fit Center 2082 is at -2.835031 -0.659648 2.679926 ESP Fit Center 2083 is at -2.418275 -0.659648 2.643465 ESP Fit Center 2084 is at -3.043409 -1.020569 2.643465 ESP Fit Center 2085 is at -2.626653 -1.020569 2.643465 ESP Fit Center 2086 is at -2.014183 -0.659648 2.535189 ESP Fit Center 2087 is at -2.424607 -1.370524 2.535189 ESP Fit Center 2088 is at -2.124156 -1.070072 2.535189 ESP Fit Center 2089 is at -1.635031 -0.659648 2.358387 ESP Fit Center 2090 is at -2.235031 -1.698879 2.358387 ESP Fit Center 2091 is at -1.915778 -1.430993 2.358387 ESP Fit Center 2092 is at -1.707400 -1.070072 2.358387 ESP Fit Center 2093 is at -1.292341 -0.659648 2.118433 ESP Fit Center 2094 is at -1.349548 -0.243435 2.118433 ESP Fit Center 2095 is at -2.125293 -2.029380 2.118433 ESP Fit Center 2096 is at -1.782063 -1.787102 2.118433 ESP Fit Center 2097 is at -1.516927 -1.461205 2.118433 ESP Fit Center 2098 is at -1.349548 -1.075861 2.118433 ESP Fit Center 2099 is at -4.818172 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4.455818 -1.689290 ESP Fit Center 2447 is at -1.800153 4.132914 -1.689290 ESP Fit Center 2448 is at -1.977644 3.744263 -1.689290 ESP Fit Center 2449 is at -2.038450 3.321350 -1.689290 ESP Fit Center 2450 is at -1.977644 2.898436 -1.689290 ESP Fit Center 2451 is at 0.061217 4.358069 -1.993306 ESP Fit Center 2452 is at -0.329459 4.500263 -1.993306 ESP Fit Center 2453 is at -0.745208 4.500263 -1.993306 ESP Fit Center 2454 is at -1.135884 4.358069 -1.993306 ESP Fit Center 2455 is at -1.454366 4.090831 -1.993306 ESP Fit Center 2456 is at -1.662240 3.730782 -1.993306 ESP Fit Center 2457 is at -1.734434 3.321350 -1.993306 ESP Fit Center 2458 is at -1.662240 2.911917 -1.993306 ESP Fit Center 2459 is at -0.537334 4.154406 -2.222050 ESP Fit Center 2460 is at -0.953862 4.042798 -2.222050 ESP Fit Center 2461 is at -1.258782 3.737878 -2.222050 ESP Fit Center 2462 is at -1.370390 3.321350 -2.222050 ESP Fit Center 2463 is at -0.750954 3.691350 -2.364052 ESP Fit Center 2464 is at -0.964574 3.321350 -2.364052 ESP Fit Center 2465 is at 0.265435 2.696372 3.670202 ESP Fit Center 2466 is at 0.692675 2.696372 3.622064 ESP Fit Center 2467 is at 0.479055 3.066373 3.622064 ESP Fit Center 2468 is at 0.051815 3.066373 3.622064 ESP Fit Center 2469 is at -0.161805 2.696372 3.622064 ESP Fit Center 2470 is at 0.051815 2.326371 3.622064 ESP Fit Center 2471 is at 0.479055 2.326371 3.622064 ESP Fit Center 2472 is at 1.098492 2.696372 3.480063 ESP Fit Center 2473 is at 0.986883 3.112900 3.480063 ESP Fit Center 2474 is at 0.681963 3.417820 3.480063 ESP Fit Center 2475 is at 0.265435 3.529429 3.480063 ESP Fit Center 2476 is at -0.151093 3.417820 3.480063 ESP Fit Center 2477 is at -0.456013 3.112900 3.480063 ESP Fit Center 2478 is at -0.567622 2.696372 3.480063 ESP Fit Center 2479 is at -0.456013 2.279844 3.480063 ESP Fit Center 2480 is at -0.151093 1.974924 3.480063 ESP Fit Center 2481 is at 0.265435 1.863315 3.480063 ESP Fit Center 2482 is at 0.681963 1.974924 3.480063 ESP Fit Center 2483 is at 0.986883 2.279844 3.480063 ESP Fit Center 2484 is at 1.462535 2.696372 3.251319 ESP Fit Center 2485 is at 1.390341 3.105804 3.251319 ESP Fit Center 2486 is at 1.182467 3.465853 3.251319 ESP Fit Center 2487 is at 0.863985 3.733091 3.251319 ESP Fit Center 2488 is at 0.473309 3.875286 3.251319 ESP Fit Center 2489 is at 0.057561 3.875286 3.251319 ESP Fit Center 2490 is at -0.333115 3.733091 3.251319 ESP Fit Center 2491 is at -0.651597 3.465853 3.251319 ESP Fit Center 2492 is at -0.859471 3.105804 3.251319 ESP Fit Center 2493 is at -0.931665 2.696372 3.251319 ESP Fit Center 2494 is at -0.859471 2.286939 3.251319 ESP Fit Center 2495 is at -0.651597 1.926891 3.251319 ESP Fit Center 2496 is at -0.333115 1.659653 3.251319 ESP Fit Center 2497 is at 0.057561 1.517458 3.251319 ESP Fit Center 2498 is at 0.473309 1.517458 3.251319 ESP Fit Center 2499 is at 0.863985 1.659653 3.251319 ESP Fit Center 2500 is at 1.182467 1.926891 3.251319 ESP Fit Center 2501 is at 1.390341 2.286939 3.251319 ESP Fit Center 2502 is at 1.248457 3.830840 2.947303 ESP Fit Center 2503 is at 0.889021 4.061835 2.947303 ESP Fit Center 2504 is at 0.479066 4.182209 2.947303 ESP Fit Center 2505 is at 0.051804 4.182209 2.947303 ESP Fit Center 2506 is at -0.358151 4.061835 2.947303 ESP Fit Center 2507 is at -0.717587 3.830840 2.947303 ESP Fit Center 2508 is at -0.997385 3.507937 2.947303 ESP Fit Center 2509 is at -1.174876 3.119285 2.947303 ESP Fit Center 2510 is at -1.235681 2.696372 2.947303 ESP Fit Center 2511 is at -1.174876 2.273459 2.947303 ESP Fit Center 2512 is at -0.997385 1.884807 2.947303 ESP Fit Center 2513 is at -0.717587 1.561904 2.947303 ESP Fit Center 2514 is at -0.358151 1.330908 2.947303 ESP Fit Center 2515 is at 0.051804 1.210535 2.947303 ESP Fit Center 2516 is at 0.479066 1.210535 2.947303 ESP Fit Center 2517 is at 0.878852 4.313819 2.583259 ESP Fit Center 2518 is at 0.473947 4.413620 2.583259 ESP Fit Center 2519 is at 0.056923 4.413620 2.583259 ESP Fit Center 2520 is at -0.347982 4.313819 2.583259 ESP Fit Center 2521 is at -0.717238 4.120019 2.583259 ESP Fit Center 2522 is at -1.029384 3.843481 2.583259 ESP Fit Center 2523 is at -1.266280 3.500278 2.583259 ESP Fit Center 2524 is at -1.029384 1.549262 2.583259 ESP Fit Center 2525 is at -0.717238 1.272725 2.583259 ESP Fit Center 2526 is at -0.347982 1.078925 2.583259 ESP Fit Center 2527 is at 0.056923 0.979124 2.583259 ESP Fit Center 2528 is at 0.265435 4.568234 2.177443 ESP Fit Center 2529 is at -0.151093 4.521302 2.177443 ESP Fit Center 2530 is at -0.546735 4.382861 2.177443 ESP Fit Center 2531 is at -0.901652 4.159852 2.177443 ESP Fit Center 2532 is at -0.546735 1.009883 2.177443 ESP Fit Center 2533 is at -0.045186 4.591079 1.750202 ESP Fit Center 2534 is at -0.445230 4.480007 1.750202 ESP Fit Center 2535 is at -0.812044 4.285535 1.750202 ESP Fit Center 2536 is at 2.307442 3.819956 2.491095 ESP Fit Center 2537 is at 2.002522 4.124876 2.491095 ESP Fit Center 2538 is at 1.585994 4.236485 2.491095 ESP Fit Center 2539 is at 2.783094 3.403428 2.262351 ESP Fit Center 2540 is at 2.710900 3.812861 2.262351 ESP Fit Center 2541 is at 2.503026 4.172909 2.262351 ESP Fit Center 2542 is at 2.184544 4.440147 2.262351 ESP Fit Center 2543 is at 1.793868 4.582342 2.262351 ESP Fit Center 2544 is at 1.378120 4.582342 2.262351 ESP Fit Center 2545 is at 3.087110 3.403428 1.958335 ESP Fit Center 2546 is at 3.026305 3.826341 1.958335 ESP Fit Center 2547 is at 2.848813 4.214993 1.958335 ESP Fit Center 2548 is at 2.569016 4.537896 1.958335 ESP Fit Center 2549 is at 2.209580 4.768892 1.958335 ESP Fit Center 2550 is at 1.799625 4.889265 1.958335 ESP Fit Center 2551 is at 1.372363 4.889265 1.958335 ESP Fit Center 2552 is at 0.962408 4.768892 1.958335 ESP Fit Center 2553 is at 3.026305 2.980515 1.958335 ESP Fit Center 2554 is at 3.315854 3.403428 1.594292 ESP Fit Center 2555 is at 3.265588 3.817411 1.594292 ESP Fit Center 2556 is at 3.117709 4.207334 1.594292 ESP Fit Center 2557 is at 2.880813 4.550538 1.594292 ESP Fit Center 2558 is at 2.568667 4.827075 1.594292 ESP Fit Center 2559 is at 2.199411 5.020876 1.594292 ESP Fit Center 2560 is at 1.794506 5.120676 1.594292 ESP Fit Center 2561 is at 1.377482 5.120676 1.594292 ESP Fit Center 2562 is at 0.972577 5.020876 1.594292 ESP Fit Center 2563 is at 0.603321 4.827075 1.594292 ESP Fit Center 2564 is at 3.265588 2.989445 1.594292 ESP Fit Center 2565 is at 3.457856 3.403428 1.188475 ESP Fit Center 2566 is at 3.410924 3.819956 1.188475 ESP Fit Center 2567 is at 3.272483 4.215598 1.188475 ESP Fit Center 2568 is at 3.049474 4.570515 1.188475 ESP Fit Center 2569 is at 2.753081 4.866908 1.188475 ESP Fit Center 2570 is at 2.398164 5.089917 1.188475 ESP Fit Center 2571 is at 2.002522 5.228358 1.188475 ESP Fit Center 2572 is at 1.585994 5.275290 1.188475 ESP Fit Center 2573 is at 1.169466 5.228358 1.188475 ESP Fit Center 2574 is at 0.773824 5.089917 1.188475 ESP Fit Center 2575 is at 3.410924 2.986900 1.188475 ESP Fit Center 2576 is at 3.505994 3.403428 0.761235 ESP Fit Center 2577 is at 3.461105 3.816171 0.761235 ESP Fit Center 2578 is at 3.328539 4.209615 0.761235 ESP Fit Center 2579 is at 3.114493 4.565363 0.761235 ESP Fit Center 2580 is at 2.828976 4.866779 0.761235 ESP Fit Center 2581 is at 2.485338 5.099771 0.761235 ESP Fit Center 2582 is at 2.099648 5.253444 0.761235 ESP Fit Center 2583 is at 1.689941 5.320612 0.761235 ESP Fit Center 2584 is at 1.275373 5.298135 0.761235 ESP Fit Center 2585 is at 0.875329 5.187063 0.761235 ESP Fit Center 2586 is at 0.508515 4.992591 0.761235 ESP Fit Center 2587 is at 3.328539 2.597241 0.761235 ESP Fit Center 2588 is at 3.461105 2.990685 0.761235 ESP Fit Center 2589 is at 3.457856 3.403428 0.333995 ESP Fit Center 2590 is at 3.410924 3.819956 0.333995 ESP Fit Center 2591 is at 3.272483 4.215598 0.333995 ESP Fit Center 2592 is at 3.049474 4.570515 0.333995 ESP Fit Center 2593 is at 2.753081 4.866908 0.333995 ESP Fit Center 2594 is at 2.398164 5.089917 0.333995 ESP Fit Center 2595 is at 2.002522 5.228358 0.333995 ESP Fit Center 2596 is at 1.585994 5.275290 0.333995 ESP Fit Center 2597 is at 1.169466 5.228358 0.333995 ESP Fit Center 2598 is at 0.773824 5.089917 0.333995 ESP Fit Center 2599 is at 0.418907 4.866908 0.333995 ESP Fit Center 2600 is at 3.272483 2.591258 0.333995 ESP Fit Center 2601 is at 3.410924 2.986900 0.333995 ESP Fit Center 2602 is at 3.315854 3.403428 -0.071822 ESP Fit Center 2603 is at 3.265588 3.817411 -0.071822 ESP Fit Center 2604 is at 3.117709 4.207334 -0.071822 ESP Fit Center 2605 is at 2.880813 4.550538 -0.071822 ESP Fit Center 2606 is at 2.568667 4.827075 -0.071822 ESP Fit Center 2607 is at 2.199411 5.020876 -0.071822 ESP Fit Center 2608 is at 1.794506 5.120676 -0.071822 ESP Fit Center 2609 is at 1.377482 5.120676 -0.071822 ESP Fit Center 2610 is at 0.972577 5.020876 -0.071822 ESP Fit Center 2611 is at 0.603321 4.827075 -0.071822 ESP Fit Center 2612 is at 3.265588 2.989445 -0.071822 ESP Fit Center 2613 is at 3.087110 3.403428 -0.435866 ESP Fit Center 2614 is at 3.026305 3.826341 -0.435866 ESP Fit Center 2615 is at 2.848813 4.214993 -0.435866 ESP Fit Center 2616 is at 2.569016 4.537896 -0.435866 ESP Fit Center 2617 is at 2.209580 4.768892 -0.435866 ESP Fit Center 2618 is at 1.799625 4.889265 -0.435866 ESP Fit Center 2619 is at 1.372363 4.889265 -0.435866 ESP Fit Center 2620 is at 0.962408 4.768892 -0.435866 ESP Fit Center 2621 is at -3.942086 0.845056 2.941461 ESP Fit Center 2622 is at -3.728466 1.215057 2.893323 ESP Fit Center 2623 is at -4.155706 1.215057 2.893323 ESP Fit Center 2624 is at -4.369327 0.845056 2.893323 ESP Fit Center 2625 is at -4.155706 0.475055 2.893323 ESP Fit Center 2626 is at -3.942086 1.678113 2.751321 ESP Fit Center 2627 is at -4.358615 1.566505 2.751321 ESP Fit Center 2628 is at -4.663535 1.261585 2.751321 ESP Fit Center 2629 is at -4.775143 0.845056 2.751321 ESP Fit Center 2630 is at -4.663535 0.428528 2.751321 ESP Fit Center 2631 is at -4.358615 0.123608 2.751321 ESP Fit Center 2632 is at -3.734212 2.023970 2.522578 ESP Fit Center 2633 is at -4.149961 2.023970 2.522578 ESP Fit Center 2634 is at -4.540637 1.881776 2.522578 ESP Fit Center 2635 is at -4.859119 1.614538 2.522578 ESP Fit Center 2636 is at -5.066993 1.254489 2.522578 ESP Fit Center 2637 is at -5.139187 0.845056 2.522578 ESP Fit Center 2638 is at -5.066993 0.435624 2.522578 ESP Fit Center 2639 is at -4.859119 0.075575 2.522578 ESP Fit Center 2640 is at -4.540637 -0.191663 2.522578 ESP Fit Center 2641 is at -4.155718 2.330893 2.218562 ESP Fit Center 2642 is at -4.565673 2.210520 2.218562 ESP Fit Center 2643 is at -4.925109 1.979524 2.218562 ESP Fit Center 2644 is at -5.204906 1.656621 2.218562 ESP Fit Center 2645 is at -5.382397 1.267970 2.218562 ESP Fit Center 2646 is at -5.443203 0.845056 2.218562 ESP Fit Center 2647 is at -5.382397 0.422143 2.218562 ESP Fit Center 2648 is at -5.204906 0.033491 2.218562 ESP Fit Center 2649 is at -4.925109 -0.289412 2.218562 ESP Fit Center 2650 is at -4.555503 2.462504 1.854518 ESP Fit Center 2651 is at -4.924759 2.268703 1.854518 ESP Fit Center 2652 is at -5.236905 1.992166 1.854518 ESP Fit Center 2653 is at -5.473802 1.648962 1.854518 ESP Fit Center 2654 is at -5.621680 1.259039 1.854518 ESP Fit Center 2655 is at -5.671947 0.845056 1.854518 ESP Fit Center 2656 is at -5.621680 0.431074 1.854518 ESP Fit Center 2657 is at -5.473802 0.041150 1.854518 ESP Fit Center 2658 is at -5.236905 -0.302053 1.854518 ESP Fit Center 2659 is at -4.754257 2.531545 1.448701 ESP Fit Center 2660 is at -5.109173 2.308537 1.448701 ESP Fit Center 2661 is at -5.405567 2.012143 1.448701 ESP Fit Center 2662 is at -5.628575 1.657226 1.448701 ESP Fit Center 2663 is at -5.767017 1.261585 1.448701 ESP Fit Center 2664 is at -5.813948 0.845056 1.448701 ESP Fit Center 2665 is at -5.767017 0.428528 1.448701 ESP Fit Center 2666 is at -5.628575 0.032886 1.448701 ESP Fit Center 2667 is at -5.405567 -0.322030 1.448701 ESP Fit Center 2668 is at -4.652752 2.628691 1.021461 ESP Fit Center 2669 is at -5.019566 2.434219 1.021461 ESP Fit Center 2670 is at -5.335998 2.165439 1.021461 ESP Fit Center 2671 is at -5.587252 1.834920 1.021461 ESP Fit Center 2672 is at -5.761580 1.458115 1.021461 ESP Fit Center 2673 is at -5.850831 1.052645 1.021461 ESP Fit Center 2674 is at -5.850831 0.637468 1.021461 ESP Fit Center 2675 is at -5.761580 0.231997 1.021461 ESP Fit Center 2676 is at -5.587252 -0.144807 1.021461 ESP Fit Center 2677 is at -4.754257 2.531545 0.594221 ESP Fit Center 2678 is at -5.109173 2.308537 0.594221 ESP Fit Center 2679 is at -5.405567 2.012143 0.594221 ESP Fit Center 2680 is at -5.628575 1.657226 0.594221 ESP Fit Center 2681 is at -5.767017 1.261585 0.594221 ESP Fit Center 2682 is at -5.813948 0.845056 0.594221 ESP Fit Center 2683 is at -5.767017 0.428528 0.594221 ESP Fit Center 2684 is at -5.628575 0.032886 0.594221 ESP Fit Center 2685 is at -4.555503 2.462504 0.188404 ESP Fit Center 2686 is at -4.924759 2.268703 0.188404 ESP Fit Center 2687 is at -5.236905 1.992166 0.188404 ESP Fit Center 2688 is at -5.473802 1.648962 0.188404 ESP Fit Center 2689 is at -5.621680 1.259039 0.188404 ESP Fit Center 2690 is at -5.671947 0.845056 0.188404 ESP Fit Center 2691 is at -5.621680 0.431074 0.188404 ESP Fit Center 2692 is at -5.473802 0.041150 0.188404 ESP Fit Center 2693 is at -4.925109 1.979524 -0.175639 ESP Fit Center 2694 is at -5.204906 1.656621 -0.175639 ESP Fit Center 2695 is at -5.382397 1.267970 -0.175639 ESP Fit Center 2696 is at -5.443203 0.845056 -0.175639 ESP Fit Center 2697 is at -5.382397 0.422143 -0.175639 ESP Fit Center 2698 is at 2.411054 -1.809484 -2.410533 ESP Fit Center 2699 is at 2.615147 -1.441778 -2.410533 ESP Fit Center 2700 is at 2.348078 -1.447245 -2.753223 ESP Fit Center 2701 is at 2.494078 -1.046114 -2.753223 ESP Fit Center 2702 is at -0.491553 0.351448 -3.049040 ESP Fit Center 2703 is at -0.709844 -0.007515 -3.049040 ESP Fit Center 2704 is at -0.823193 -0.412062 -3.049040 ESP Fit Center 2705 is at -0.823193 -0.832188 -3.049040 ESP Fit Center 2706 is at 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-2.173312 -2.714867 1.856438 ESP Fit Center 2725 is at -2.060703 -3.135130 1.856438 ESP Fit Center 2726 is at -1.753049 -3.442784 1.856438 ESP Fit Center 2727 is at -1.332786 -3.555393 1.856438 ESP Fit Center 2728 is at -0.912523 -3.442784 1.856438 ESP Fit Center 2729 is at -2.493169 -3.137212 1.693102 ESP Fit Center 2730 is at -2.278739 -3.508616 1.693102 ESP Fit Center 2731 is at -1.950213 -3.784282 1.693102 ESP Fit Center 2732 is at -1.547216 -3.930961 1.693102 ESP Fit Center 2733 is at -1.118356 -3.930961 1.693102 ESP Fit Center 2734 is at -0.715359 -3.784282 1.693102 ESP Fit Center 2735 is at -0.386833 -3.508616 1.693102 ESP Fit Center 2736 is at -2.717366 -3.514255 1.470090 ESP Fit Center 2737 is at -2.463291 -3.845372 1.470090 ESP Fit Center 2738 is at -2.132174 -4.099447 1.470090 ESP Fit Center 2739 is at -1.746579 -4.259166 1.470090 ESP Fit Center 2740 is at -1.332786 -4.313643 1.470090 ESP Fit Center 2741 is at -0.918992 -4.259166 1.470090 ESP Fit Center 2742 is at -0.533398 -4.099447 1.470090 ESP Fit Center 2743 is at -0.202281 -3.845372 1.470090 ESP Fit Center 2744 is at -3.065647 -3.549369 1.192894 ESP Fit Center 2745 is at -2.836506 -3.914044 1.192894 ESP Fit Center 2746 is at -2.531963 -4.218587 1.192894 ESP Fit Center 2747 is at -2.167288 -4.447728 1.192894 ESP Fit Center 2748 is at -1.760767 -4.589975 1.192894 ESP Fit Center 2749 is at -1.332786 -4.638197 1.192894 ESP Fit Center 2750 is at -0.904805 -4.589975 1.192894 ESP Fit Center 2751 is at -0.498284 -4.447728 1.192894 ESP Fit Center 2752 is at -0.133609 -4.218587 1.192894 ESP Fit Center 2753 is at 0.170935 -3.914044 1.192894 ESP Fit Center 2754 is at -3.288692 -3.723206 0.868340 ESP Fit Center 2755 is at -3.062516 -4.075142 0.868340 ESP Fit Center 2756 is at -2.773824 -4.377914 0.868340 ESP Fit Center 2757 is at -2.433049 -4.620578 0.868340 ESP Fit Center 2758 is at -2.052507 -4.794366 0.868340 ESP Fit Center 2759 is at -1.645953 -4.892995 0.868340 ESP Fit Center 2760 is at -1.228081 -4.912901 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Fit Center 2779 is at -3.374193 -4.303758 0.110090 ESP Fit Center 2780 is at -3.084828 -4.618092 0.110090 ESP Fit Center 2781 is at -2.747672 -4.880511 0.110090 ESP Fit Center 2782 is at -2.371921 -5.083857 0.110090 ESP Fit Center 2783 is at -1.967826 -5.222583 0.110090 ESP Fit Center 2784 is at -1.546408 -5.292905 0.110090 ESP Fit Center 2785 is at -1.119163 -5.292905 0.110090 ESP Fit Center 2786 is at -0.697746 -5.222583 0.110090 ESP Fit Center 2787 is at -0.293650 -5.083857 0.110090 ESP Fit Center 2788 is at 0.082100 -4.880511 0.110090 ESP Fit Center 2789 is at 0.419256 -4.618092 0.110090 ESP Fit Center 2790 is at 0.708621 -4.303758 0.110090 ESP Fit Center 2791 is at -3.726486 -3.934518 -0.304934 ESP Fit Center 2792 is at -3.506220 -4.293959 -0.304934 ESP Fit Center 2793 is at -3.232437 -4.614518 -0.304934 ESP Fit Center 2794 is at -2.911878 -4.888301 -0.304934 ESP Fit Center 2795 is at -2.552437 -5.108567 -0.304934 ESP Fit Center 2796 is at -2.162964 -5.269892 -0.304934 ESP Fit 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Fit Center 2815 is at -0.413380 -5.274768 -0.730436 ESP Fit Center 2816 is at -0.033388 -5.104420 -0.730436 ESP Fit Center 2817 is at 0.316147 -4.878063 -0.730436 ESP Fit Center 2818 is at 0.627033 -4.601003 -0.730436 ESP Fit Center 2819 is at 0.891982 -4.279734 -0.730436 ESP Fit Center 2820 is at 1.104785 -3.921785 -0.730436 ESP Fit Center 2821 is at -3.986223 -3.135130 -1.155938 ESP Fit Center 2822 is at -3.887811 -3.545045 -1.155938 ESP Fit Center 2823 is at -3.726486 -3.934518 -1.155938 ESP Fit Center 2824 is at -3.506220 -4.293959 -1.155938 ESP Fit Center 2825 is at -3.232437 -4.614518 -1.155938 ESP Fit Center 2826 is at -2.911878 -4.888301 -1.155938 ESP Fit Center 2827 is at -2.552437 -5.108567 -1.155938 ESP Fit Center 2828 is at -2.162964 -5.269892 -1.155938 ESP Fit Center 2829 is at -1.753049 -5.368304 -1.155938 ESP Fit Center 2830 is at -1.332786 -5.401379 -1.155938 ESP Fit Center 2831 is at -0.912523 -5.368304 -1.155938 ESP Fit Center 2832 is at -0.502608 -5.269892 -1.155938 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is at -2.836506 -3.914044 -2.653767 ESP Fit Center 2905 is at -2.531963 -4.218587 -2.653767 ESP Fit Center 2906 is at -2.167288 -4.447728 -2.653767 ESP Fit Center 2907 is at -1.760767 -4.589975 -2.653767 ESP Fit Center 2908 is at -1.332786 -4.638197 -2.653767 ESP Fit Center 2909 is at -0.904805 -4.589975 -2.653767 ESP Fit Center 2910 is at -0.498284 -4.447728 -2.653767 ESP Fit Center 2911 is at -0.133609 -4.218587 -2.653767 ESP Fit Center 2912 is at 0.170935 -3.914044 -2.653767 ESP Fit Center 2913 is at 0.400075 -3.549369 -2.653767 ESP Fit Center 2914 is at -0.918992 -1.170568 -2.930962 ESP Fit Center 2915 is at -1.332786 -1.116091 -2.930962 ESP Fit Center 2916 is at -1.746579 -1.170568 -2.930962 ESP Fit Center 2917 is at -2.132174 -1.330286 -2.930962 ESP Fit Center 2918 is at -2.463291 -1.584362 -2.930962 ESP Fit Center 2919 is at -2.717366 -1.915479 -2.930962 ESP Fit Center 2920 is at -2.877085 -2.301073 -2.930962 ESP Fit Center 2921 is at -2.931562 -2.714867 -2.930962 ESP Fit Center 2922 is at -2.877085 -3.128660 -2.930962 ESP Fit Center 2923 is at -2.717366 -3.514255 -2.930962 ESP Fit Center 2924 is at -2.463291 -3.845372 -2.930962 ESP Fit Center 2925 is at -2.132174 -4.099447 -2.930962 ESP Fit Center 2926 is at -1.746579 -4.259166 -2.930962 ESP Fit Center 2927 is at -1.332786 -4.313643 -2.930962 ESP Fit Center 2928 is at -0.918992 -4.259166 -2.930962 ESP Fit Center 2929 is at -0.533398 -4.099447 -2.930962 ESP Fit Center 2930 is at -0.202281 -3.845372 -2.930962 ESP Fit Center 2931 is at 0.051795 -3.514255 -2.930962 ESP Fit Center 2932 is at 0.211513 -3.128660 -2.930962 ESP Fit Center 2933 is at -0.097932 -2.714867 -3.153974 ESP Fit Center 2934 is at -1.118356 -1.498773 -3.153974 ESP Fit Center 2935 is at -1.547216 -1.498773 -3.153974 ESP Fit Center 2936 is at -1.950213 -1.645452 -3.153974 ESP Fit Center 2937 is at -2.278739 -1.921118 -3.153974 ESP Fit Center 2938 is at -2.493169 -2.292522 -3.153974 ESP Fit Center 2939 is at -2.567640 -2.714867 -3.153974 ESP Fit Center 2940 is at -2.493169 -3.137212 -3.153974 ESP Fit Center 2941 is at -2.278739 -3.508616 -3.153974 ESP Fit Center 2942 is at -1.950213 -3.784282 -3.153974 ESP Fit Center 2943 is at -1.547216 -3.930961 -3.153974 ESP Fit Center 2944 is at -1.118356 -3.930961 -3.153974 ESP Fit Center 2945 is at -0.715359 -3.784282 -3.153974 ESP Fit Center 2946 is at -0.386833 -3.508616 -3.153974 ESP Fit Center 2947 is at -0.172402 -3.137212 -3.153974 ESP Fit Center 2948 is at -0.492260 -2.714867 -3.317310 ESP Fit Center 2949 is at -0.604869 -2.294604 -3.317310 ESP Fit Center 2950 is at -0.912523 -1.986950 -3.317310 ESP Fit Center 2951 is at -1.332786 -1.874341 -3.317310 ESP Fit Center 2952 is at -1.753049 -1.986950 -3.317310 ESP Fit Center 2953 is at -2.060703 -2.294604 -3.317310 ESP Fit Center 2954 is at -2.173312 -2.714867 -3.317310 ESP Fit Center 2955 is at -2.060703 -3.135130 -3.317310 ESP Fit Center 2956 is at -1.753049 -3.442784 -3.317310 ESP Fit Center 2957 is at -1.332786 -3.555393 -3.317310 ESP Fit Center 2958 is at -0.912523 -3.442784 -3.317310 ESP Fit Center 2959 is at -0.604869 -3.135130 -3.317310 ESP Fit Center 2960 is at -0.907284 -2.714867 -3.416948 ESP Fit Center 2961 is at -1.120035 -2.346371 -3.416948 ESP Fit Center 2962 is at -1.545537 -2.346371 -3.416948 ESP Fit Center 2963 is at -1.758288 -2.714867 -3.416948 ESP Fit Center 2964 is at -1.545537 -3.083362 -3.416948 ESP Fit Center 2965 is at -1.120035 -3.083362 -3.416948 ESP Fit Center 2966 is at -1.332786 -2.714867 -3.450436 ESP Fit Center 2967 is at 2.629218 2.044917 2.519128 ESP Fit Center 2968 is at 2.944623 2.058398 2.215112 ESP Fit Center 2969 is at 3.234172 1.635485 1.851068 ESP Fit Center 2970 is at 3.183905 2.049467 1.851068 ESP Fit Center 2971 is at 3.376173 1.635485 1.445252 ESP Fit Center 2972 is at 3.329242 2.052013 1.445252 ESP Fit Center 2973 is at 3.379423 2.048228 1.018011 ESP Fit Center 2974 is at 3.230194 3.024925 -0.747750 ESP Fit Center 2975 is at 3.179928 3.438907 -0.747750 ESP Fit Center 2976 is at 3.032049 3.828831 -0.747750 ESP Fit Center 2977 is at 2.795153 4.172034 -0.747750 ESP Fit Center 2978 is at 2.483007 4.448572 -0.747750 ESP Fit Center 2979 is at 2.113751 4.642372 -0.747750 ESP Fit Center 2980 is at 1.708846 4.742172 -0.747750 ESP Fit Center 2981 is at 1.291822 4.742172 -0.747750 ESP Fit Center 2982 is at 0.886917 4.642372 -0.747750 ESP Fit Center 2983 is at 3.372196 3.024925 -1.153567 ESP Fit Center 2984 is at 3.325264 3.441453 -1.153567 ESP Fit Center 2985 is at 3.186823 3.837095 -1.153567 ESP Fit Center 2986 is at 2.963814 4.192011 -1.153567 ESP Fit Center 2987 is at 2.667421 4.488405 -1.153567 ESP Fit Center 2988 is at 2.312504 4.711414 -1.153567 ESP Fit Center 2989 is at 1.916862 4.849855 -1.153567 ESP Fit Center 2990 is at 1.500334 4.896786 -1.153567 ESP Fit Center 2991 is at 1.083806 4.849855 -1.153567 ESP Fit Center 2992 is at 0.688164 4.711414 -1.153567 ESP Fit Center 2993 is at 3.420334 3.024925 -1.580807 ESP Fit Center 2994 is at 3.375445 3.437668 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3013 is at 0.688164 4.711414 -2.008047 ESP Fit Center 3014 is at 0.333247 4.488405 -2.008047 ESP Fit Center 3015 is at 3.230194 3.024925 -2.413864 ESP Fit Center 3016 is at 3.179928 3.438907 -2.413864 ESP Fit Center 3017 is at 3.032049 3.828831 -2.413864 ESP Fit Center 3018 is at 2.795153 4.172034 -2.413864 ESP Fit Center 3019 is at 2.483007 4.448572 -2.413864 ESP Fit Center 3020 is at 2.113751 4.642372 -2.413864 ESP Fit Center 3021 is at 1.708846 4.742172 -2.413864 ESP Fit Center 3022 is at 1.291822 4.742172 -2.413864 ESP Fit Center 3023 is at 0.886917 4.642372 -2.413864 ESP Fit Center 3024 is at 0.517661 4.448572 -2.413864 ESP Fit Center 3025 is at 3.001450 3.024925 -2.777907 ESP Fit Center 3026 is at 2.940645 3.447838 -2.777907 ESP Fit Center 3027 is at 2.763153 3.836490 -2.777907 ESP Fit Center 3028 is at 2.483356 4.159393 -2.777907 ESP Fit Center 3029 is at 2.123920 4.390388 -2.777907 ESP Fit Center 3030 is at 1.713965 4.510762 -2.777907 ESP Fit Center 3031 is at 1.286703 4.510762 -2.777907 ESP Fit Center 3032 is at 0.876748 4.390388 -2.777907 ESP Fit Center 3033 is at 0.517312 4.159393 -2.777907 ESP Fit Center 3034 is at 2.940645 2.602011 -2.777907 ESP Fit Center 3035 is at 2.697434 3.024925 -3.081924 ESP Fit Center 3036 is at 2.625240 3.434357 -3.081924 ESP Fit Center 3037 is at 2.417366 3.794406 -3.081924 ESP Fit Center 3038 is at 2.098884 4.061644 -3.081924 ESP Fit Center 3039 is at 1.708208 4.203838 -3.081924 ESP Fit Center 3040 is at 1.292460 4.203838 -3.081924 ESP Fit Center 3041 is at 0.901784 4.061644 -3.081924 ESP Fit Center 3042 is at 2.625240 2.615492 -3.081924 ESP Fit Center 3043 is at 2.333391 3.024925 -3.310667 ESP Fit Center 3044 is at 2.221782 3.441453 -3.310667 ESP Fit Center 3045 is at 1.916862 3.746373 -3.310667 ESP Fit Center 3046 is at 1.500334 3.857982 -3.310667 ESP Fit Center 3047 is at 1.083806 3.746373 -3.310667 ESP Fit Center 3048 is at 2.221782 2.608396 -3.310667 ESP Fit Center 3049 is at 1.927574 3.024925 -3.452669 ESP Fit Center 3050 is at 1.713954 3.394926 -3.452669 ESP Fit Center 3051 is at 1.286714 3.394926 -3.452669 ESP Fit Center 3052 is at 1.339007 -3.268548 -1.271965 ESP Fit Center 3053 is at 1.693923 -3.045539 -1.271965 ESP Fit Center 3054 is at 1.426181 -3.278402 -1.699205 ESP Fit Center 3055 is at 1.769818 -3.045410 -1.699205 ESP Fit Center 3056 is at 2.055335 -2.743993 -1.699205 ESP Fit Center 3057 is at 0.943365 -3.406989 -2.126445 ESP Fit Center 3058 is at 1.339007 -3.268548 -2.126445 ESP Fit Center 3059 is at 1.693923 -3.045539 -2.126445 ESP Fit Center 3060 is at 1.990317 -2.749145 -2.126445 ESP Fit Center 3061 is at 2.213325 -2.394229 -2.126445 ESP Fit Center 3062 is at 0.735348 -3.299306 -2.532262 ESP Fit Center 3063 is at 1.140253 -3.199506 -2.532262 ESP Fit Center 3064 is at 1.509509 -3.005706 -2.532262 ESP Fit Center 3065 is at 1.821655 -2.729168 -2.532262 ESP Fit Center 3066 is at 2.058552 -2.385965 -2.532262 ESP Fit Center 3067 is at 2.206430 -1.996041 -2.532262 ESP Fit Center 3068 is at 0.313205 -3.067896 -2.896306 ESP Fit Center 3069 is at 0.740468 -3.067896 -2.896306 ESP Fit Center 3070 is at 1.150423 -2.947522 -2.896306 ESP Fit Center 3071 is at 1.509859 -2.716527 -2.896306 ESP Fit Center 3072 is at 1.789656 -2.393623 -2.896306 ESP Fit Center 3073 is at 1.967147 -2.004972 -2.896306 ESP Fit Center 3074 is at 1.723937 -1.582058 -3.200322 ESP Fit Center 3075 is at -0.598070 -1.172626 -3.200322 ESP Fit Center 3076 is at -0.670264 -1.582058 -3.200322 ESP Fit Center 3077 is at -0.071714 -2.618778 -3.200322 ESP Fit Center 3078 is at 0.318962 -2.760972 -3.200322 ESP Fit Center 3079 is at 0.734711 -2.760972 -3.200322 ESP Fit Center 3080 is at 1.125387 -2.618778 -3.200322 ESP Fit Center 3081 is at 1.443869 -2.351540 -3.200322 ESP Fit Center 3082 is at 1.651743 -1.991491 -3.200322 ESP Fit Center 3083 is at 1.359893 -1.582058 -3.429065 ESP Fit Center 3084 is at -0.194612 -1.165530 -3.429065 ESP Fit Center 3085 is at -0.306220 -1.582058 -3.429065 ESP Fit Center 3086 is at -0.194612 -1.998587 -3.429065 ESP Fit Center 3087 is at 0.110308 -2.303507 -3.429065 ESP Fit Center 3088 is at 0.526836 -2.415115 -3.429065 ESP Fit Center 3089 is at 0.943365 -2.303507 -3.429065 ESP Fit Center 3090 is at 1.248285 -1.998587 -3.429065 ESP Fit Center 3091 is at 0.954077 -1.582058 -3.571067 ESP Fit Center 3092 is at 0.740456 -1.212058 -3.571067 ESP Fit Center 3093 is at 0.313216 -1.212058 -3.571067 ESP Fit Center 3094 is at 0.099596 -1.582058 -3.571067 ESP Fit Center 3095 is at 0.313216 -1.952059 -3.571067 ESP Fit Center 3096 is at 0.740456 -1.952059 -3.571067 ESP Fit Center 3097 is at 0.526836 -1.582058 -3.619205 ESP Fit Center 3098 is at -0.451220 0.918033 -2.751813 ESP Fit Center 3099 is at -0.182324 0.925692 -3.115856 ESP Fit Center 3100 is at -0.359815 0.537040 -3.115856 ESP Fit Center 3101 is at 2.343315 -0.697438 -3.115856 ESP Fit Center 3102 is at 2.277596 0.114127 -3.419873 ESP Fit Center 3103 is at 1.679045 1.150846 -3.419873 ESP Fit Center 3104 is at 0.163463 0.883608 -3.419873 ESP Fit Center 3105 is at -0.044411 0.523559 -3.419873 ESP Fit Center 3106 is at -0.116605 0.114127 -3.419873 ESP Fit Center 3107 is at 1.679045 -0.922593 -3.419873 ESP Fit Center 3108 is at 1.997527 -0.655355 -3.419873 ESP Fit Center 3109 is at 2.205402 -0.295306 -3.419873 ESP Fit Center 3110 is at 1.913552 0.114127 -3.648616 ESP Fit Center 3111 is at 1.801944 0.530655 -3.648616 ESP Fit Center 3112 is at 1.497024 0.835575 -3.648616 ESP Fit Center 3113 is at 1.080495 0.947184 -3.648616 ESP Fit Center 3114 is at 0.663967 0.835575 -3.648616 ESP Fit Center 3115 is at 0.359047 0.530655 -3.648616 ESP Fit Center 3116 is at 0.247438 0.114127 -3.648616 ESP Fit Center 3117 is at 0.359047 -0.302402 -3.648616 ESP Fit Center 3118 is at 0.663967 -0.607322 -3.648616 ESP Fit Center 3119 is at 1.080495 -0.718930 -3.648616 ESP Fit Center 3120 is at 1.497024 -0.607322 -3.648616 ESP Fit Center 3121 is at 1.801944 -0.302402 -3.648616 ESP Fit Center 3122 is at 1.507735 0.114127 -3.790618 ESP Fit Center 3123 is at 1.294115 0.484128 -3.790618 ESP Fit Center 3124 is at 0.866875 0.484128 -3.790618 ESP Fit Center 3125 is at 0.653255 0.114127 -3.790618 ESP Fit Center 3126 is at 0.866875 -0.255874 -3.790618 ESP Fit Center 3127 is at 1.294115 -0.255874 -3.790618 ESP Fit Center 3128 is at 1.080495 0.114127 -3.838756 ESP Fit Center 3129 is at 2.049684 -2.888466 -1.406148 ESP Fit Center 3130 is at 2.456807 -2.783055 -1.406148 ESP Fit Center 3131 is at 2.834378 -2.597847 -1.406148 ESP Fit Center 3132 is at 2.463142 -2.522120 -1.748839 ESP Fit Center 3133 is at 2.832827 -2.308682 -1.748839 ESP Fit Center 3134 is at 2.444685 -2.203705 -2.044655 ESP Fit Center 3135 is at 2.787915 -1.961427 -2.044655 ESP Fit Center 3136 is at 2.654200 -1.605319 -2.284609 ESP Fit Center 3137 is at 1.039955 -2.789412 2.991536 ESP Fit Center 3138 is at 1.431577 -2.931951 2.991536 ESP Fit Center 3139 is at 1.123339 -3.203798 2.751581 ESP Fit Center 3140 is at 1.534678 -3.289275 2.751581 ESP Fit Center 3141 is at 1.112665 -3.511451 2.455765 ESP Fit Center 3142 is at 1.533055 -3.585577 2.455765 ESP Fit Center 3143 is at 1.959208 -3.560757 2.455765 ESP Fit Center 3144 is at 2.368150 -3.438328 2.455765 ESP Fit Center 3145 is at 1.118983 -3.762292 2.113075 ESP Fit Center 3146 is at 1.534682 -3.825975 2.113075 ESP Fit Center 3147 is at 0.163072 -0.045768 1.733923 ESP Fit Center 3148 is at 0.902330 -3.881406 1.733923 ESP Fit Center 3149 is at 0.711025 -3.923521 1.329830 ESP Fit Center 3150 is at 2.615347 -0.209249 4.114494 ESP Fit Center 3151 is at 2.204923 -0.319222 4.114494 ESP Fit Center 3152 is at 3.215347 0.009133 3.937693 ESP Fit Center 3153 is at 2.823725 0.151672 3.937693 ESP Fit Center 3154 is at 1.487716 -0.619674 3.937693 ESP Fit Center 3155 is at 1.415347 -1.030098 3.937693 ESP Fit Center 3156 is at 3.933451 -0.228541 3.697739 ESP Fit Center 3157 is at 3.668315 0.097356 3.697739 ESP Fit Center 3158 is at 3.325085 0.339634 3.697739 ESP Fit Center 3159 is at 1.087025 -0.820035 3.697739 ESP Fit Center 3160 is at 1.087025 -1.240161 3.697739 ESP Fit Center 3161 is at 4.404296 -0.606109 3.401922 ESP Fit Center 3162 is at 4.258296 -0.204978 3.401922 ESP Fit Center 3163 is at 4.023725 0.151672 3.401922 ESP Fit Center 3164 is at 3.713227 0.444611 3.401922 ESP Fit Center 3165 is at 0.789272 -0.816660 3.401922 ESP Fit Center 3166 is at 0.789272 -1.243535 3.401922 ESP Fit Center 3167 is at 0.887716 -1.658904 3.401922 ESP Fit Center 3168 is at 1.079297 -2.040374 3.401922 ESP Fit Center 3169 is at 4.047338 0.476356 3.059232 ESP Fit Center 3170 is at 3.714778 0.733776 3.059232 ESP Fit Center 3171 is at 0.547550 -0.819823 3.059232 ESP Fit Center 3172 is at 3.436195 -3.285360 1.859232 ESP Fit Center 3173 is at 4.626442 -0.830003 3.175221 ESP Fit Center 3174 is at 4.933224 -1.240427 2.998420 ESP Fit Center 3175 is at 4.858561 -1.957457 2.758466 ESP Fit Center 3176 is at 5.123698 -1.631560 2.758466 ESP Fit Center 3177 is at 5.291076 -1.246216 2.758466 ESP Fit Center 3178 is at 4.533789 -2.518150 2.462649 ESP Fit Center 3179 is at 4.903473 -2.304712 2.462649 ESP Fit Center 3180 is at 5.213971 -2.011773 2.462649 ESP Fit Center 3181 is at 5.448543 -1.655124 2.462649 ESP Fit Center 3182 is at 5.511518 -2.017362 2.119959 ESP Fit Center 3183 is at 5.715611 -1.649656 2.119959 ESP Fit Center 3184 is at 3.484636 1.402304 1.740807 ESP Fit Center 3185 is at 5.899306 -1.668200 1.740807 ESP Fit Center 3186 is at 3.699553 1.531155 1.336714 ESP Fit Center 3187 is at 6.018420 -1.660491 1.336714 ESP Fit Center 3188 is at 6.169132 -1.246759 0.919959 ESP Fit Center 3189 is at 6.131149 -1.252029 0.503203 ESP Fit Center 3190 is at 6.060856 -0.830003 0.099111 ESP Fit Center 3191 is at 6.020100 -1.256814 0.099111 ESP Fit Center 3192 is at 5.884054 -0.830003 -0.280041 ESP Fit Center 3193 is at 5.841508 -0.411612 -0.280041 ESP Fit Center 3194 is at 5.715611 -0.010350 -0.280041 ESP Fit Center 3195 is at 5.841508 -1.248394 -0.280041 ESP Fit Center 3196 is at 5.644100 -0.830003 -0.622731 ESP Fit Center 3197 is at 5.594543 -1.253992 -0.622731 ESP Fit Center 3198 is at 5.291076 -1.246216 -0.918548 ESP Fit Center 3199 is at 3.344259 -2.328085 -1.424720 ESP Fit Center 3200 is at 3.751382 -2.222674 -1.424720 ESP Fit Center 3201 is at 4.128953 -2.037467 -1.424720 ESP Fit Center 3202 is at 4.461513 -1.780046 -1.424720 ESP Fit Center 3203 is at 4.735447 -1.460951 -1.424720 ESP Fit Center 3204 is at 3.348775 -2.084168 -1.767410 ESP Fit Center 3205 is at 3.757717 -1.961739 -1.767410 ESP Fit Center 3206 is at 4.127402 -1.748301 -1.767410 ESP Fit Center 3207 is at 2.924245 -1.812687 -2.063227 ESP Fit Center 3208 is at 3.343392 -1.784016 -2.063227 ESP Fit Center 3209 is at 3.739260 -1.643325 -2.063227 ESP Fit Center 3210 is at 2.821144 -1.455362 -2.303181 ESP Fit Center 3211 is at 0.628607 -1.874573 3.241002 ESP Fit Center 3212 is at 0.414987 -1.504572 3.192864 ESP Fit Center 3213 is at 0.201367 -1.874573 3.192864 ESP Fit Center 3214 is at 0.414987 -2.244574 3.192864 ESP Fit Center 3215 is at 0.842227 -2.244574 3.192864 ESP Fit Center 3216 is at 0.212079 -1.153125 3.050862 ESP Fit Center 3217 is at -0.092841 -1.458045 3.050862 ESP Fit Center 3218 is at -0.204450 -1.874573 3.050862 ESP Fit Center 3219 is at -0.092841 -2.291102 3.050862 ESP Fit Center 3220 is at 0.212079 -2.596022 3.050862 ESP Fit Center 3221 is at 0.628607 -2.707630 3.050862 ESP Fit Center 3222 is at 0.420733 -0.695659 2.822118 ESP Fit Center 3223 is at 0.030057 -0.837854 2.822118 ESP Fit Center 3224 is at -0.288425 -1.105092 2.822118 ESP Fit Center 3225 is at -0.496300 -1.465141 2.822118 ESP Fit Center 3226 is at -0.568494 -1.874573 2.822118 ESP Fit Center 3227 is at -0.496300 -2.284006 2.822118 ESP Fit Center 3228 is at -0.288425 -2.644055 2.822118 ESP Fit Center 3229 is at 0.030057 -2.911293 2.822118 ESP Fit Center 3230 is at 0.420733 -3.053487 2.822118 ESP Fit Center 3231 is at 0.836481 -3.053487 2.822118 ESP Fit Center 3232 is at 0.005021 -0.509110 2.518102 ESP Fit Center 3233 is at -0.354415 -0.740105 2.518102 ESP Fit Center 3234 is at -0.634213 -1.063008 2.518102 ESP Fit Center 3235 is at -0.811704 -1.451660 2.518102 ESP Fit Center 3236 is at -0.872510 -1.874573 2.518102 ESP Fit Center 3237 is at -0.811704 -2.297487 2.518102 ESP Fit Center 3238 is at -0.634213 -2.686138 2.518102 ESP Fit Center 3239 is at -0.354415 -3.009041 2.518102 ESP Fit Center 3240 is at 0.005021 -3.240037 2.518102 ESP Fit Center 3241 is at 0.414976 -3.360410 2.518102 ESP Fit Center 3242 is at 0.842238 -3.360410 2.518102 ESP Fit Center 3243 is at 0.015190 -0.257126 2.154059 ESP Fit Center 3244 is at -0.354066 -0.450926 2.154059 ESP Fit Center 3245 is at -0.666212 -0.727464 2.154059 ESP Fit Center 3246 is at -0.903108 -1.070667 2.154059 ESP Fit Center 3247 is at -1.050987 -1.460591 2.154059 ESP Fit Center 3248 is at -1.101253 -1.874573 2.154059 ESP Fit Center 3249 is at -1.050987 -2.288556 2.154059 ESP Fit Center 3250 is at -0.903108 -2.678479 2.154059 ESP Fit Center 3251 is at -0.666212 -3.021683 2.154059 ESP Fit Center 3252 is at -0.354066 -3.298220 2.154059 ESP Fit Center 3253 is at 0.015190 -3.492021 2.154059 ESP Fit Center 3254 is at 0.420095 -3.591821 2.154059 ESP Fit Center 3255 is at -0.183563 -3.561062 1.748242 ESP Fit Center 3256 is at 0.212079 -3.699503 1.748242 ESP Fit Center 3257 is at 0.317985 -3.769280 1.321002 ESP Fit Center 3258 is at 1.851533 -3.900320 2.120377 ESP Fit Center 3259 is at 2.267282 -3.900320 2.120377 ESP Fit Center 3260 is at 2.657958 -3.758126 2.120377 ESP Fit Center 3261 is at 2.976440 -3.490888 2.120377 ESP Fit Center 3262 is at 1.435821 -4.086870 1.816361 ESP Fit Center 3263 is at 1.845776 -4.207244 1.816361 ESP Fit Center 3264 is at 2.273039 -4.207244 1.816361 ESP Fit Center 3265 is at 2.682994 -4.086870 1.816361 ESP Fit Center 3266 is at 3.042430 -3.855875 1.816361 ESP Fit Center 3267 is at 3.322227 -3.532971 1.816361 ESP Fit Center 3268 is at 1.076735 -4.145054 1.452318 ESP Fit Center 3269 is at 1.445991 -4.338854 1.452318 ESP Fit Center 3270 is at 1.850896 -4.438654 1.452318 ESP Fit Center 3271 is at 2.267919 -4.438654 1.452318 ESP Fit Center 3272 is at 2.672825 -4.338854 1.452318 ESP Fit Center 3273 is at 3.042080 -4.145054 1.452318 ESP Fit Center 3274 is at 3.354227 -3.868516 1.452318 ESP Fit Center 3275 is at 3.591123 -3.525313 1.452318 ESP Fit Center 3276 is at 0.892321 -4.184887 1.046501 ESP Fit Center 3277 is at 1.247237 -4.407896 1.046501 ESP Fit Center 3278 is at 1.642879 -4.546337 1.046501 ESP Fit Center 3279 is at 2.059408 -4.593268 1.046501 ESP Fit Center 3280 is at 2.475936 -4.546337 1.046501 ESP Fit Center 3281 is at 2.871578 -4.407896 1.046501 ESP Fit Center 3282 is at 3.226494 -4.184887 1.046501 ESP Fit Center 3283 is at 3.522888 -3.888493 1.046501 ESP Fit Center 3284 is at 0.665496 -4.041790 0.619261 ESP Fit Center 3285 is at 0.981928 -4.310569 0.619261 ESP Fit Center 3286 is at 1.348742 -4.505042 0.619261 ESP Fit Center 3287 is at 1.748786 -4.616113 0.619261 ESP Fit Center 3288 is at 2.163354 -4.638591 0.619261 ESP Fit Center 3289 is at 2.573062 -4.571423 0.619261 ESP Fit Center 3290 is at 2.958752 -4.417750 0.619261 ESP Fit Center 3291 is at 3.302389 -4.184758 0.619261 ESP Fit Center 3292 is at 3.587906 -3.883341 0.619261 ESP Fit Center 3293 is at 0.892321 -4.184887 0.192021 ESP Fit Center 3294 is at 1.247237 -4.407896 0.192021 ESP Fit Center 3295 is at 1.642879 -4.546337 0.192021 ESP Fit Center 3296 is at 2.059408 -4.593268 0.192021 ESP Fit Center 3297 is at 2.475936 -4.546337 0.192021 ESP Fit Center 3298 is at 2.871578 -4.407896 0.192021 ESP Fit Center 3299 is at 3.226494 -4.184887 0.192021 ESP Fit Center 3300 is at 3.522888 -3.888493 0.192021 ESP Fit Center 3301 is at 1.076735 -4.145054 -0.213796 ESP Fit Center 3302 is at 1.445991 -4.338854 -0.213796 ESP Fit Center 3303 is at 1.850896 -4.438654 -0.213796 ESP Fit Center 3304 is at 2.267919 -4.438654 -0.213796 ESP Fit Center 3305 is at 2.672825 -4.338854 -0.213796 ESP Fit Center 3306 is at 3.042080 -4.145054 -0.213796 ESP Fit Center 3307 is at 3.354227 -3.868516 -0.213796 ESP Fit Center 3308 is at 3.591123 -3.525313 -0.213796 ESP Fit Center 3309 is at 1.435821 -4.086870 -0.577839 ESP Fit Center 3310 is at 1.845776 -4.207244 -0.577839 ESP Fit Center 3311 is at 2.273039 -4.207244 -0.577839 ESP Fit Center 3312 is at 2.682994 -4.086870 -0.577839 ESP Fit Center 3313 is at 3.042430 -3.855875 -0.577839 ESP Fit Center 3314 is at 3.322227 -3.532971 -0.577839 ESP Fit Center 3315 is at 3.499718 -3.144320 -0.577839 ESP Fit Center 3316 is at 3.256508 -2.721407 -0.881856 ESP Fit Center 3317 is at 1.460857 -3.758126 -0.881856 ESP Fit Center 3318 is at 1.851533 -3.900320 -0.881856 ESP Fit Center 3319 is at 2.267282 -3.900320 -0.881856 ESP Fit Center 3320 is at 2.657958 -3.758126 -0.881856 ESP Fit Center 3321 is at 2.976440 -3.490888 -0.881856 ESP Fit Center 3322 is at 3.184314 -3.130839 -0.881856 ESP Fit Center 3323 is at 1.642879 -3.442855 -1.110599 ESP Fit Center 3324 is at 2.059408 -3.554463 -1.110599 ESP Fit Center 3325 is at 2.475936 -3.442855 -1.110599 ESP Fit Center 3326 is at 2.780856 -3.137935 -1.110599 ESP Fit Center 3327 is at 1.845788 -3.091407 -1.252601 ESP Fit Center 3328 is at 2.273028 -3.091407 -1.252601 ESP Fit Center 3329 is at 2.194702 -0.046339 4.026672 ESP Fit Center 3330 is at 2.408322 0.323661 3.978534 ESP Fit Center 3331 is at 1.981082 0.323661 3.978534 ESP Fit Center 3332 is at 1.767462 -0.046339 3.978534 ESP Fit Center 3333 is at 2.916151 0.370189 3.836532 ESP Fit Center 3334 is at 2.611231 0.675109 3.836532 ESP Fit Center 3335 is at 2.194702 0.786717 3.836532 ESP Fit Center 3336 is at 1.778174 0.675109 3.836532 ESP Fit Center 3337 is at 1.473254 0.370189 3.836532 ESP Fit Center 3338 is at 1.361646 -0.046339 3.836532 ESP Fit Center 3339 is at 3.111734 0.723142 3.607789 ESP Fit Center 3340 is at 2.793253 0.990380 3.607789 ESP Fit Center 3341 is at 2.402577 1.132574 3.607789 ESP Fit Center 3342 is at 1.986828 1.132574 3.607789 ESP Fit Center 3343 is at 1.596152 0.990380 3.607789 ESP Fit Center 3344 is at 1.277670 0.723142 3.607789 ESP Fit Center 3345 is at 1.069796 0.363093 3.607789 ESP Fit Center 3346 is at 0.997602 -0.046339 3.607789 ESP Fit Center 3347 is at 1.069796 -0.455772 3.607789 ESP Fit Center 3348 is at 3.457522 0.765225 3.303773 ESP Fit Center 3349 is at 3.177725 1.088129 3.303773 ESP Fit Center 3350 is at 2.818289 1.319124 3.303773 ESP Fit Center 3351 is at 2.408333 1.439498 3.303773 ESP Fit Center 3352 is at 1.981071 1.439498 3.303773 ESP Fit Center 3353 is at 1.571116 1.319124 3.303773 ESP Fit Center 3354 is at 1.211680 1.088129 3.303773 ESP Fit Center 3355 is at 0.931883 0.765225 3.303773 ESP Fit Center 3356 is at 0.754392 0.376574 3.303773 ESP Fit Center 3357 is at 0.693586 -0.046339 3.303773 ESP Fit Center 3358 is at 0.754392 -0.469253 3.303773 ESP Fit Center 3359 is at 3.489521 1.100770 2.939729 ESP Fit Center 3360 is at 3.177375 1.377308 2.939729 ESP Fit Center 3361 is at 2.808119 1.571108 2.939729 ESP Fit Center 3362 is at 2.403214 1.670908 2.939729 ESP Fit Center 3363 is at 1.986191 1.670908 2.939729 ESP Fit Center 3364 is at 0.899883 1.100770 2.939729 ESP Fit Center 3365 is at 0.662987 0.757567 2.939729 ESP Fit Center 3366 is at 0.515109 0.367643 2.939729 ESP Fit Center 3367 is at 0.464842 -0.046339 2.939729 ESP Fit Center 3368 is at 0.515109 -0.460322 2.939729 ESP Fit Center 3369 is at 3.658183 1.120747 2.533912 ESP Fit Center 3370 is at 3.361789 1.417141 2.533912 ESP Fit Center 3371 is at 3.006873 1.640150 2.533912 ESP Fit Center 3372 is at 0.508213 0.765831 2.533912 ESP Fit Center 3373 is at 0.369772 0.370189 2.533912 ESP Fit Center 3374 is at 0.322841 -0.046339 2.533912 ESP Fit Center 3375 is at 3.437684 1.417012 2.106672 ESP Fit Center 3376 is at 3.094047 1.650004 2.106672 ESP Fit Center 3377 is at 0.285957 0.161249 2.106672 ESP Fit Center 3378 is at 3.361789 1.417141 1.679432 ESP Fit Center 3379 is at 2.851948 -1.586295 4.696506 ESP Fit Center 3380 is at 3.279188 -1.586295 4.648368 ESP Fit Center 3381 is at 3.065568 -1.216294 4.648368 ESP Fit Center 3382 is at 2.638328 -1.216294 4.648368 ESP Fit Center 3383 is at 2.424708 -1.586295 4.648368 ESP Fit Center 3384 is at 2.638328 -1.956296 4.648368 ESP Fit Center 3385 is at 3.065568 -1.956296 4.648368 ESP Fit Center 3386 is at 3.685005 -1.586295 4.506367 ESP Fit Center 3387 is at 3.573396 -1.169767 4.506367 ESP Fit Center 3388 is at 3.268476 -0.864847 4.506367 ESP Fit Center 3389 is at 2.851948 -0.753238 4.506367 ESP Fit Center 3390 is at 2.435419 -0.864847 4.506367 ESP Fit Center 3391 is at 2.130499 -1.169767 4.506367 ESP Fit Center 3392 is at 2.018891 -1.586295 4.506367 ESP Fit Center 3393 is at 2.130499 -2.002824 4.506367 ESP Fit Center 3394 is at 2.435419 -2.307744 4.506367 ESP Fit Center 3395 is at 2.851948 -2.419352 4.506367 ESP Fit Center 3396 is at 3.268476 -2.307744 4.506367 ESP Fit Center 3397 is at 3.573396 -2.002824 4.506367 ESP Fit Center 3398 is at 4.049048 -1.586295 4.277623 ESP Fit Center 3399 is at 3.976854 -1.176863 4.277623 ESP Fit Center 3400 is at 3.768980 -0.816814 4.277623 ESP Fit Center 3401 is at 3.450498 -0.549576 4.277623 ESP Fit Center 3402 is at 3.059822 -0.407381 4.277623 ESP Fit Center 3403 is at 2.644073 -0.407381 4.277623 ESP Fit Center 3404 is at 2.253398 -0.549576 4.277623 ESP Fit Center 3405 is at 1.934916 -0.816814 4.277623 ESP Fit Center 3406 is at 1.727041 -1.176863 4.277623 ESP Fit Center 3407 is at 1.654847 -1.586295 4.277623 ESP Fit Center 3408 is at 1.727041 -1.995728 4.277623 ESP Fit Center 3409 is at 1.934916 -2.355776 4.277623 ESP Fit Center 3410 is at 2.253398 -2.623015 4.277623 ESP Fit Center 3411 is at 2.644073 -2.765209 4.277623 ESP Fit Center 3412 is at 3.059822 -2.765209 4.277623 ESP Fit Center 3413 is at 3.450498 -2.623015 4.277623 ESP Fit Center 3414 is at 3.768980 -2.355776 4.277623 ESP Fit Center 3415 is at 3.976854 -1.995728 4.277623 ESP Fit Center 3416 is at 4.353064 -1.586295 3.973607 ESP Fit Center 3417 is at 4.292258 -1.163382 3.973607 ESP Fit Center 3418 is at 4.114767 -0.774730 3.973607 ESP Fit Center 3419 is at 3.834970 -0.451827 3.973607 ESP Fit Center 3420 is at 3.475534 -0.220832 3.973607 ESP Fit Center 3421 is at 1.411637 -1.163382 3.973607 ESP Fit Center 3422 is at 1.350831 -1.586295 3.973607 ESP Fit Center 3423 is at 1.411637 -2.009209 3.973607 ESP Fit Center 3424 is at 1.589128 -2.397860 3.973607 ESP Fit Center 3425 is at 1.868926 -2.720763 3.973607 ESP Fit Center 3426 is at 2.228361 -2.951759 3.973607 ESP Fit Center 3427 is at 2.638317 -3.072132 3.973607 ESP Fit Center 3428 is at 3.065579 -3.072132 3.973607 ESP Fit Center 3429 is at 3.475534 -2.951759 3.973607 ESP Fit Center 3430 is at 3.834970 -2.720763 3.973607 ESP Fit Center 3431 is at 4.114767 -2.397860 3.973607 ESP Fit Center 3432 is at 4.292258 -2.009209 3.973607 ESP Fit Center 3433 is at 4.581808 -1.586295 3.609563 ESP Fit Center 3434 is at 4.531541 -1.172313 3.609563 ESP Fit Center 3435 is at 4.383663 -0.782389 3.609563 ESP Fit Center 3436 is at 1.172354 -2.000278 3.609563 ESP Fit Center 3437 is at 1.320233 -2.390201 3.609563 ESP Fit Center 3438 is at 1.557129 -2.733405 3.609563 ESP Fit Center 3439 is at 1.869275 -3.009942 3.609563 ESP Fit Center 3440 is at 2.238531 -3.203743 3.609563 ESP Fit Center 3441 is at 2.643436 -3.303543 3.609563 ESP Fit Center 3442 is at 3.060459 -3.303543 3.609563 ESP Fit Center 3443 is at 3.465365 -3.203743 3.609563 ESP Fit Center 3444 is at 3.834620 -3.009942 3.609563 ESP Fit Center 3445 is at 4.146767 -2.733405 3.609563 ESP Fit Center 3446 is at 4.383663 -2.390201 3.609563 ESP Fit Center 3447 is at 4.531541 -2.000278 3.609563 ESP Fit Center 3448 is at 4.723809 -1.586295 3.203747 ESP Fit Center 3449 is at 4.676878 -1.169767 3.203747 ESP Fit Center 3450 is at 1.165459 -2.398465 3.203747 ESP Fit Center 3451 is at 1.388467 -2.753382 3.203747 ESP Fit Center 3452 is at 1.684861 -3.049775 3.203747 ESP Fit Center 3453 is at 2.039777 -3.272784 3.203747 ESP Fit Center 3454 is at 2.435419 -3.411225 3.203747 ESP Fit Center 3455 is at 2.851948 -3.458157 3.203747 ESP Fit Center 3456 is at 3.268476 -3.411225 3.203747 ESP Fit Center 3457 is at 3.664118 -3.272784 3.203747 ESP Fit Center 3458 is at 4.019034 -3.049775 3.203747 ESP Fit Center 3459 is at 4.315428 -2.753382 3.203747 ESP Fit Center 3460 is at 4.538437 -2.398465 3.203747 ESP Fit Center 3461 is at 4.676878 -2.002824 3.203747 ESP Fit Center 3462 is at 2.141283 -3.369930 2.776506 ESP Fit Center 3463 is at 2.541326 -3.481002 2.776506 ESP Fit Center 3464 is at 2.955894 -3.503479 2.776506 ESP Fit Center 3465 is at 3.365602 -3.436311 2.776506 ESP Fit Center 3466 is at 3.751292 -3.282638 2.776506 ESP Fit Center 3467 is at 4.094929 -3.049646 2.776506 ESP Fit Center 3468 is at 4.380446 -2.748230 2.776506 ESP Fit Center 3469 is at 4.594493 -2.392482 2.776506 ESP Fit Center 3470 is at 2.851948 -3.458157 2.349266 ESP Fit Center 3471 is at 3.268476 -3.411225 2.349266 ESP Fit Center 3472 is at 3.664118 -3.272784 2.349266 ESP Fit Center 3473 is at 4.019034 -3.049775 2.349266 ESP Fit Center 3474 is at 4.315428 -2.753382 2.349266 ESP Fit Center 3475 is at 4.608052 -0.182553 3.220119 ESP Fit Center 3476 is at 5.035293 -0.182553 3.171981 ESP Fit Center 3477 is at 4.821673 0.187447 3.171981 ESP Fit Center 3478 is at 4.394432 0.187447 3.171981 ESP Fit Center 3479 is at 4.821673 -0.552554 3.171981 ESP Fit Center 3480 is at 5.441109 -0.182553 3.029979 ESP Fit Center 3481 is at 5.329501 0.233975 3.029979 ESP Fit Center 3482 is at 5.024581 0.538895 3.029979 ESP Fit Center 3483 is at 4.608052 0.650503 3.029979 ESP Fit Center 3484 is at 4.191524 0.538895 3.029979 ESP Fit Center 3485 is at 5.024581 -0.904002 3.029979 ESP Fit Center 3486 is at 5.329501 -0.599082 3.029979 ESP Fit Center 3487 is at 5.805153 -0.182553 2.801236 ESP Fit Center 3488 is at 5.732959 0.226879 2.801236 ESP Fit Center 3489 is at 5.525085 0.586928 2.801236 ESP Fit Center 3490 is at 5.206603 0.854166 2.801236 ESP Fit Center 3491 is at 4.815927 0.996360 2.801236 ESP Fit Center 3492 is at 4.400178 0.996360 2.801236 ESP Fit Center 3493 is at 4.009502 0.854166 2.801236 ESP Fit Center 3494 is at 5.525085 -0.952035 2.801236 ESP Fit Center 3495 is at 5.732959 -0.591986 2.801236 ESP Fit Center 3496 is at 6.109169 -0.182553 2.497220 ESP Fit Center 3497 is at 6.048363 0.240360 2.497220 ESP Fit Center 3498 is at 5.870872 0.629011 2.497220 ESP Fit Center 3499 is at 5.591075 0.951915 2.497220 ESP Fit Center 3500 is at 5.231639 1.182910 2.497220 ESP Fit Center 3501 is at 4.821684 1.303284 2.497220 ESP Fit Center 3502 is at 4.394421 1.303284 2.497220 ESP Fit Center 3503 is at 3.984466 1.182910 2.497220 ESP Fit Center 3504 is at 5.591075 -1.317021 2.497220 ESP Fit Center 3505 is at 5.870872 -0.994118 2.497220 ESP Fit Center 3506 is at 6.048363 -0.605467 2.497220 ESP Fit Center 3507 is at 6.337913 -0.182553 2.133176 ESP Fit Center 3508 is at 6.287646 0.231429 2.133176 ESP Fit Center 3509 is at 6.139768 0.621353 2.133176 ESP Fit Center 3510 is at 5.902871 0.964556 2.133176 ESP Fit Center 3511 is at 5.590725 1.241094 2.133176 ESP Fit Center 3512 is at 5.221469 1.434894 2.133176 ESP Fit Center 3513 is at 4.816564 1.534694 2.133176 ESP Fit Center 3514 is at 4.399541 1.534694 2.133176 ESP Fit Center 3515 is at 3.994636 1.434894 2.133176 ESP Fit Center 3516 is at 3.625380 1.241094 2.133176 ESP Fit Center 3517 is at 5.902871 -1.329663 2.133176 ESP Fit Center 3518 is at 6.139768 -0.986460 2.133176 ESP Fit Center 3519 is at 6.287646 -0.596536 2.133176 ESP Fit Center 3520 is at 6.479914 -0.182553 1.727359 ESP Fit Center 3521 is at 6.432983 0.233975 1.727359 ESP Fit Center 3522 is at 6.294541 0.629617 1.727359 ESP Fit Center 3523 is at 6.071533 0.984533 1.727359 ESP Fit Center 3524 is at 5.775139 1.280927 1.727359 ESP Fit Center 3525 is at 5.420223 1.503936 1.727359 ESP Fit Center 3526 is at 5.024581 1.642377 1.727359 ESP Fit Center 3527 is at 4.608052 1.689308 1.727359 ESP Fit Center 3528 is at 4.191524 1.642377 1.727359 ESP Fit Center 3529 is at 3.795882 1.503936 1.727359 ESP Fit Center 3530 is at 6.071533 -1.349640 1.727359 ESP Fit Center 3531 is at 6.294541 -0.994724 1.727359 ESP Fit Center 3532 is at 6.432983 -0.599082 1.727359 ESP Fit Center 3533 is at 6.528052 -0.182553 1.300119 ESP Fit Center 3534 is at 6.483164 0.230190 1.300119 ESP Fit Center 3535 is at 6.350597 0.623634 1.300119 ESP Fit Center 3536 is at 6.136551 0.979381 1.300119 ESP Fit Center 3537 is at 5.851034 1.280798 1.300119 ESP Fit Center 3538 is at 5.507397 1.513790 1.300119 ESP Fit Center 3539 is at 5.121707 1.667463 1.300119 ESP Fit Center 3540 is at 4.711999 1.734631 1.300119 ESP Fit Center 3541 is at 4.297431 1.712154 1.300119 ESP Fit Center 3542 is at 3.897387 1.601082 1.300119 ESP Fit Center 3543 is at 6.136551 -1.344488 1.300119 ESP Fit Center 3544 is at 6.350597 -0.988740 1.300119 ESP Fit Center 3545 is at 6.483164 -0.595297 1.300119 ESP Fit Center 3546 is at 6.479914 -0.182553 0.872879 ESP Fit Center 3547 is at 6.432983 0.233975 0.872879 ESP Fit Center 3548 is at 6.294541 0.629617 0.872879 ESP Fit Center 3549 is at 6.071533 0.984533 0.872879 ESP Fit Center 3550 is at 5.775139 1.280927 0.872879 ESP Fit Center 3551 is at 5.420223 1.503936 0.872879 ESP Fit Center 3552 is at 5.024581 1.642377 0.872879 ESP Fit Center 3553 is at 4.608052 1.689308 0.872879 ESP Fit Center 3554 is at 6.294541 -0.994724 0.872879 ESP Fit Center 3555 is at 6.432983 -0.599082 0.872879 ESP Fit Center 3556 is at 6.337913 -0.182553 0.467062 ESP Fit Center 3557 is at 6.287646 0.231429 0.467062 ESP Fit Center 3558 is at 6.139768 0.621353 0.467062 ESP Fit Center 3559 is at 5.902871 0.964556 0.467062 ESP Fit Center 3560 is at 5.590725 1.241094 0.467062 ESP Fit Center 3561 is at 5.221469 1.434894 0.467062 ESP Fit Center 3562 is at 6.287646 -0.596536 0.467062 ESP Fit Center 3563 is at 6.109169 -0.182553 0.103019 ESP Fit Center 3564 is at 6.048363 0.240360 0.103019 ESP Fit Center 3565 is at 5.870872 0.629011 0.103019 ESP Fit Center 3566 is at 5.591075 0.951915 0.103019 ESP Fit Center 3567 is at 5.732959 0.226879 -0.200997 ESP Fit Center 3568 is at 3.995131 -2.994002 2.138357 ESP Fit Center 3569 is at 4.410880 -2.994002 2.138357 ESP Fit Center 3570 is at 4.801556 -2.851808 2.138357 ESP Fit Center 3571 is at 5.120038 -2.584570 2.138357 ESP Fit Center 3572 is at 3.989375 -3.300926 1.834341 ESP Fit Center 3573 is at 4.416637 -3.300926 1.834341 ESP Fit Center 3574 is at 4.826592 -3.180552 1.834341 ESP Fit Center 3575 is at 5.186028 -2.949557 1.834341 ESP Fit Center 3576 is at 5.465825 -2.626653 1.834341 ESP Fit Center 3577 is at 5.643316 -2.238002 1.834341 ESP Fit Center 3578 is at 5.932866 -1.815088 1.470298 ESP Fit Center 3579 is at 3.994494 -3.532336 1.470298 ESP Fit Center 3580 is at 4.411517 -3.532336 1.470298 ESP Fit Center 3581 is at 4.816423 -3.432536 1.470298 ESP Fit Center 3582 is at 5.185678 -3.238735 1.470298 ESP Fit Center 3583 is at 5.497825 -2.962198 1.470298 ESP Fit Center 3584 is at 5.734721 -2.618995 1.470298 ESP Fit Center 3585 is at 5.882599 -2.229071 1.470298 ESP Fit Center 3586 is at 6.074867 -1.815088 1.064481 ESP Fit Center 3587 is at 3.786477 -3.640019 1.064481 ESP Fit Center 3588 is at 4.203006 -3.686950 1.064481 ESP Fit Center 3589 is at 4.619534 -3.640019 1.064481 ESP Fit Center 3590 is at 5.015176 -3.501577 1.064481 ESP Fit Center 3591 is at 5.370092 -3.278569 1.064481 ESP Fit Center 3592 is at 5.666486 -2.982175 1.064481 ESP Fit Center 3593 is at 5.889495 -2.627259 1.064481 ESP Fit Center 3594 is at 6.027936 -2.231617 1.064481 ESP Fit Center 3595 is at 6.123006 -1.815088 0.637241 ESP Fit Center 3596 is at 3.892384 -3.709795 0.637241 ESP Fit Center 3597 is at 4.306952 -3.732273 0.637241 ESP Fit Center 3598 is at 4.716660 -3.665104 0.637241 ESP Fit Center 3599 is at 5.102350 -3.511432 0.637241 ESP Fit Center 3600 is at 5.445987 -3.278440 0.637241 ESP Fit Center 3601 is at 5.731504 -2.977023 0.637241 ESP Fit Center 3602 is at 5.945551 -2.621275 0.637241 ESP Fit Center 3603 is at 6.078117 -2.227832 0.637241 ESP Fit Center 3604 is at 6.074867 -1.815088 0.210001 ESP Fit Center 3605 is at 6.027936 -1.398560 0.210001 ESP Fit Center 3606 is at 3.786477 -3.640019 0.210001 ESP Fit Center 3607 is at 4.203006 -3.686950 0.210001 ESP Fit Center 3608 is at 4.619534 -3.640019 0.210001 ESP Fit Center 3609 is at 5.015176 -3.501577 0.210001 ESP Fit Center 3610 is at 5.370092 -3.278569 0.210001 ESP Fit Center 3611 is at 5.666486 -2.982175 0.210001 ESP Fit Center 3612 is at 5.889495 -2.627259 0.210001 ESP Fit Center 3613 is at 6.027936 -2.231617 0.210001 ESP Fit Center 3614 is at 5.932866 -1.815088 -0.195816 ESP Fit Center 3615 is at 5.882599 -1.401106 -0.195816 ESP Fit Center 3616 is at 3.994494 -3.532336 -0.195816 ESP Fit Center 3617 is at 4.411517 -3.532336 -0.195816 ESP Fit Center 3618 is at 4.816423 -3.432536 -0.195816 ESP Fit Center 3619 is at 5.185678 -3.238735 -0.195816 ESP Fit Center 3620 is at 5.497825 -2.962198 -0.195816 ESP Fit Center 3621 is at 5.734721 -2.618995 -0.195816 ESP Fit Center 3622 is at 5.882599 -2.229071 -0.195816 ESP Fit Center 3623 is at 5.704122 -1.815088 -0.559859 ESP Fit Center 3624 is at 5.643316 -1.392175 -0.559859 ESP Fit Center 3625 is at 3.579419 -3.180552 -0.559859 ESP Fit Center 3626 is at 3.989375 -3.300926 -0.559859 ESP Fit Center 3627 is at 4.416637 -3.300926 -0.559859 ESP Fit Center 3628 is at 4.826592 -3.180552 -0.559859 ESP Fit Center 3629 is at 5.186028 -2.949557 -0.559859 ESP Fit Center 3630 is at 5.465825 -2.626653 -0.559859 ESP Fit Center 3631 is at 5.643316 -2.238002 -0.559859 ESP Fit Center 3632 is at 5.400106 -1.815088 -0.863876 ESP Fit Center 3633 is at 5.327912 -1.405656 -0.863876 ESP Fit Center 3634 is at 3.285974 -2.584570 -0.863876 ESP Fit Center 3635 is at 3.604456 -2.851808 -0.863876 ESP Fit Center 3636 is at 3.995131 -2.994002 -0.863876 ESP Fit Center 3637 is at 4.410880 -2.994002 -0.863876 ESP Fit Center 3638 is at 4.801556 -2.851808 -0.863876 ESP Fit Center 3639 is at 5.120038 -2.584570 -0.863876 ESP Fit Center 3640 is at 5.327912 -2.224521 -0.863876 ESP Fit Center 3641 is at 5.036063 -1.815088 -1.092619 ESP Fit Center 3642 is at 3.786477 -2.536537 -1.092619 ESP Fit Center 3643 is at 4.203006 -2.648145 -1.092619 ESP Fit Center 3644 is at 4.619534 -2.536537 -1.092619 ESP Fit Center 3645 is at 4.924454 -2.231617 -1.092619 ESP Fit Center 3646 is at 4.630246 -1.815088 -1.234621 ESP Fit Center 3647 is at 4.416626 -2.185089 -1.234621 ESP Fit Center 3648 is at 3.690942 1.757448 1.019928 ESP Fit Center 3649 is at 4.535533 1.703132 0.779973 ESP Fit Center 3650 is at 4.192302 1.945411 0.779973 ESP Fit Center 3651 is at 3.796434 2.086102 0.779973 ESP Fit Center 3652 is at 3.377288 2.114773 0.779973 ESP Fit Center 3653 is at 4.890942 1.757448 0.484157 ESP Fit Center 3654 is at 4.580444 2.050388 0.484157 ESP Fit Center 3655 is at 4.210760 2.263825 0.484157 ESP Fit Center 3656 is at 3.801818 2.386254 0.484157 ESP Fit Center 3657 is at 3.375665 2.411075 0.484157 ESP Fit Center 3658 is at 5.392582 1.395332 0.141467 ESP Fit Center 3659 is at 5.188489 1.763038 0.141467 ESP Fit Center 3660 is at 4.914555 2.082132 0.141467 ESP Fit Center 3661 is at 4.581995 2.339553 0.141467 ESP Fit Center 3662 is at 4.204425 2.524760 0.141467 ESP Fit Center 3663 is at 3.797301 2.630172 0.141467 ESP Fit Center 3664 is at 3.377292 2.651472 0.141467 ESP Fit Center 3665 is at 5.737827 0.575679 -0.237685 ESP Fit Center 3666 is at 5.697071 1.002490 -0.237685 ESP Fit Center 3667 is at 5.576278 1.413875 -0.237685 ESP Fit Center 3668 is at 5.379812 1.794966 -0.237685 ESP Fit Center 3669 is at 5.114775 2.131988 -0.237685 ESP Fit Center 3670 is at 4.790745 2.412761 -0.237685 ESP Fit Center 3671 is at 4.419434 2.627138 -0.237685 ESP Fit Center 3672 is at 4.014263 2.767369 -0.237685 ESP Fit Center 3673 is at 3.589874 2.828387 -0.237685 ESP Fit Center 3674 is at 3.161607 2.807986 -0.237685 ESP Fit Center 3675 is at 5.846103 0.575679 -0.641778 ESP Fit Center 3676 is at 5.808120 0.997705 -0.641778 ESP Fit Center 3677 is at 5.695392 1.406167 -0.641778 ESP Fit Center 3678 is at 5.511541 1.787936 -0.641778 ESP Fit Center 3679 is at 5.262478 2.130742 -0.641778 ESP Fit Center 3680 is at 4.956207 2.423568 -0.641778 ESP Fit Center 3681 is at 4.602571 2.657000 -0.641778 ESP Fit Center 3682 is at 4.212938 2.823538 -0.641778 ESP Fit Center 3683 is at 3.799830 2.917827 -0.641778 ESP Fit Center 3684 is at 3.376525 2.936837 -0.641778 ESP Fit Center 3685 is at 5.695392 -0.254809 -0.641778 ESP Fit Center 3686 is at 5.808120 0.153653 -0.641778 ESP Fit Center 3687 is at 5.882564 0.575679 -1.058533 ESP Fit Center 3688 is at 5.846103 0.992434 -1.058533 ESP Fit Center 3689 is at 5.737827 1.396527 -1.058533 ESP Fit Center 3690 is at 5.561025 1.775679 -1.058533 ESP Fit Center 3691 is at 5.321071 2.118369 -1.058533 ESP Fit Center 3692 is at 5.025255 2.414185 -1.058533 ESP Fit Center 3693 is at 4.682564 2.654140 -1.058533 ESP Fit Center 3694 is at 4.303413 2.830941 -1.058533 ESP Fit Center 3695 is at 3.899320 2.939217 -1.058533 ESP Fit Center 3696 is at 3.482564 2.975679 -1.058533 ESP Fit Center 3697 is at 5.321071 -0.967011 -1.058533 ESP Fit Center 3698 is at 5.561025 -0.624321 -1.058533 ESP Fit Center 3699 is at 5.737827 -0.245170 -1.058533 ESP Fit Center 3700 is at 5.846103 0.158923 -1.058533 ESP Fit Center 3701 is at 5.846103 0.575679 -1.475289 ESP Fit Center 3702 is at 5.808120 0.997705 -1.475289 ESP Fit Center 3703 is at 5.695392 1.406167 -1.475289 ESP Fit Center 3704 is at 5.511541 1.787936 -1.475289 ESP Fit Center 3705 is at 5.262478 2.130742 -1.475289 ESP Fit Center 3706 is at 4.956207 2.423568 -1.475289 ESP Fit Center 3707 is at 4.602571 2.657000 -1.475289 ESP Fit Center 3708 is at 4.212938 2.823538 -1.475289 ESP Fit Center 3709 is at 3.799830 2.917827 -1.475289 ESP Fit Center 3710 is at 4.956207 -1.272210 -1.475289 ESP Fit Center 3711 is at 5.262478 -0.979385 -1.475289 ESP Fit Center 3712 is at 5.511541 -0.636578 -1.475289 ESP Fit Center 3713 is at 5.695392 -0.254809 -1.475289 ESP Fit Center 3714 is at 5.808120 0.153653 -1.475289 ESP Fit Center 3715 is at 5.737827 0.575679 -1.879382 ESP Fit Center 3716 is at 5.697071 1.002490 -1.879382 ESP Fit Center 3717 is at 5.576278 1.413875 -1.879382 ESP Fit Center 3718 is at 5.379812 1.794966 -1.879382 ESP Fit Center 3719 is at 5.114775 2.131988 -1.879382 ESP Fit Center 3720 is at 4.790745 2.412761 -1.879382 ESP Fit Center 3721 is at 4.419434 2.627138 -1.879382 ESP Fit Center 3722 is at 4.014263 2.767369 -1.879382 ESP Fit Center 3723 is at 3.589874 2.828387 -1.879382 ESP Fit Center 3724 is at 4.419434 -1.475780 -1.879382 ESP Fit Center 3725 is at 4.790745 -1.261404 -1.879382 ESP Fit Center 3726 is at 5.114775 -0.980630 -1.879382 ESP Fit Center 3727 is at 5.379812 -0.643608 -1.879382 ESP Fit Center 3728 is at 5.576278 -0.262518 -1.879382 ESP Fit Center 3729 is at 5.697071 0.148868 -1.879382 ESP Fit Center 3730 is at 5.561025 0.575679 -2.258533 ESP Fit Center 3731 is at 5.518479 0.994070 -2.258533 ESP Fit Center 3732 is at 5.392582 1.395332 -2.258533 ESP Fit Center 3733 is at 5.188489 1.763038 -2.258533 ESP Fit Center 3734 is at 4.914555 2.082132 -2.258533 ESP Fit Center 3735 is at 4.581995 2.339553 -2.258533 ESP Fit Center 3736 is at 4.204425 2.524760 -2.258533 ESP Fit Center 3737 is at 3.797301 2.630172 -2.258533 ESP Fit Center 3738 is at 3.377292 -1.500114 -2.258533 ESP Fit Center 3739 is at 3.797301 -1.478814 -2.258533 ESP Fit Center 3740 is at 4.204425 -1.373402 -2.258533 ESP Fit Center 3741 is at 4.581995 -1.188195 -2.258533 ESP Fit Center 3742 is at 4.914555 -0.930775 -2.258533 ESP Fit Center 3743 is at 5.188489 -0.611680 -2.258533 ESP Fit Center 3744 is at 5.392582 -0.243974 -2.258533 ESP Fit Center 3745 is at 5.518479 0.157288 -2.258533 ESP Fit Center 3746 is at 5.321071 0.575679 -2.601224 ESP Fit Center 3747 is at 5.271514 0.999668 -2.601224 ESP Fit Center 3748 is at 5.125514 1.400799 -2.601224 ESP Fit Center 3749 is at 4.890942 1.757448 -2.601224 ESP Fit Center 3750 is at 4.580444 2.050388 -2.601224 ESP Fit Center 3751 is at 4.210760 2.263825 -2.601224 ESP Fit Center 3752 is at 2.955275 -1.185591 -2.601224 ESP Fit Center 3753 is at 3.375665 -1.259717 -2.601224 ESP Fit Center 3754 is at 3.801818 -1.234897 -2.601224 ESP Fit Center 3755 is at 4.210760 -1.112468 -2.601224 ESP Fit Center 3756 is at 4.580444 -0.899030 -2.601224 ESP Fit Center 3757 is at 4.890942 -0.606090 -2.601224 ESP Fit Center 3758 is at 5.125514 -0.249441 -2.601224 ESP Fit Center 3759 is at 5.271514 0.151690 -2.601224 ESP Fit Center 3760 is at 5.025255 0.575679 -2.897040 ESP Fit Center 3761 is at 4.968048 0.991892 -2.897040 ESP Fit Center 3762 is at 4.800669 1.377236 -2.897040 ESP Fit Center 3763 is at 4.535533 1.703132 -2.897040 ESP Fit Center 3764 is at 4.192302 1.945411 -2.897040 ESP Fit Center 3765 is at 2.592925 -0.684653 -2.897040 ESP Fit Center 3766 is at 2.965949 -0.877938 -2.897040 ESP Fit Center 3767 is at 3.377288 -0.963415 -2.897040 ESP Fit Center 3768 is at 3.796434 -0.934745 -2.897040 ESP Fit Center 3769 is at 4.192302 -0.794053 -2.897040 ESP Fit Center 3770 is at 4.535533 -0.551775 -2.897040 ESP Fit Center 3771 is at 4.800669 -0.225878 -2.897040 ESP Fit Center 3772 is at 4.968048 0.159466 -2.897040 ESP Fit Center 3773 is at 4.682564 0.575679 -3.136994 ESP Fit Center 3774 is at 4.610196 0.986103 -3.136994 ESP Fit Center 3775 is at 4.401818 1.347024 -3.136994 ESP Fit Center 3776 is at 2.882564 -0.463552 -3.136994 ESP Fit Center 3777 is at 3.274187 -0.606090 -3.136994 ESP Fit Center 3778 is at 3.690942 -0.606090 -3.136994 ESP Fit Center 3779 is at 4.082564 -0.463552 -3.136994 ESP Fit Center 3780 is at 4.401818 -0.195666 -3.136994 ESP Fit Center 3781 is at 4.610196 0.165255 -3.136994 ESP Fit Center 3782 is at 4.303413 0.575679 -3.313796 ESP Fit Center 3783 is at 4.193440 0.986103 -3.313796 ESP Fit Center 3784 is at 3.482564 -0.245170 -3.313796 ESP Fit Center 3785 is at 3.892989 -0.135197 -3.313796 ESP Fit Center 3786 is at 4.193440 0.165255 -3.313796 ESP Fit Center 3787 is at 3.899320 0.575679 -3.422072 ESP Fit Center 3788 is at 3.690942 0.214758 -3.422072 ESP Fit Center 3789 is at 3.337394 2.742234 -2.226069 ESP Fit Center 3790 is at 3.903539 2.340951 -2.631886 ESP Fit Center 3791 is at 3.534283 2.534751 -2.631886 ESP Fit Center 3792 is at 3.129378 2.634552 -2.631886 ESP Fit Center 3793 is at 3.903888 2.051772 -2.995930 ESP Fit Center 3794 is at 3.544452 2.282768 -2.995930 ESP Fit Center 3795 is at 3.134497 2.403141 -2.995930 ESP Fit Center 3796 is at 2.707235 2.403141 -2.995930 ESP Fit Center 3797 is at 4.045772 1.326737 -3.299946 ESP Fit Center 3798 is at 3.837898 1.686785 -3.299946 ESP Fit Center 3799 is at 3.519416 1.954023 -3.299946 ESP Fit Center 3800 is at 3.128740 2.096218 -3.299946 ESP Fit Center 3801 is at 2.712992 2.096218 -3.299946 ESP Fit Center 3802 is at 2.322316 1.954023 -3.299946 ESP Fit Center 3803 is at 2.712992 -0.261610 -3.299946 ESP Fit Center 3804 is at 3.128740 -0.261610 -3.299946 ESP Fit Center 3805 is at 3.753923 0.917304 -3.528690 ESP Fit Center 3806 is at 3.642314 1.333832 -3.528690 ESP Fit Center 3807 is at 3.337394 1.638752 -3.528690 ESP Fit Center 3808 is at 2.920866 1.750361 -3.528690 ESP Fit Center 3809 is at 2.504338 1.638752 -3.528690 ESP Fit Center 3810 is at 2.199418 1.333832 -3.528690 ESP Fit Center 3811 is at 2.087809 0.917304 -3.528690 ESP Fit Center 3812 is at 2.199418 0.500776 -3.528690 ESP Fit Center 3813 is at 2.504338 0.195856 -3.528690 ESP Fit Center 3814 is at 2.920866 0.084247 -3.528690 ESP Fit Center 3815 is at 3.337394 0.195856 -3.528690 ESP Fit Center 3816 is at 3.642314 0.500776 -3.528690 ESP Fit Center 3817 is at 3.348106 0.917304 -3.670691 ESP Fit Center 3818 is at 3.134486 1.287305 -3.670691 ESP Fit Center 3819 is at 2.707246 1.287305 -3.670691 ESP Fit Center 3820 is at 2.493626 0.917304 -3.670691 ESP Fit Center 3821 is at 2.707246 0.547303 -3.670691 ESP Fit Center 3822 is at 3.134486 0.547303 -3.670691 ESP Fit Center 3823 is at 2.920866 0.917304 -3.718829 ESP Fit Center 3824 is at -1.814627 2.822615 -2.296232 ESP Fit Center 3825 is at -1.327706 3.191291 -2.571390 ESP Fit Center 3826 is at -1.486250 2.808532 -2.571390 ESP Fit Center 3827 is at -1.540327 2.397781 -2.571390 ESP Fit Center 3828 is at 1.747979 2.542080 3.444322 ESP Fit Center 3829 is at 1.636198 2.959253 3.444322 ESP Fit Center 3830 is at 1.330807 1.819515 3.444322 ESP Fit Center 3831 is at 1.636198 2.124907 3.444322 ESP Fit Center 3832 is at 2.139408 2.542080 3.282187 ESP Fit Center 3833 is at 2.065485 2.961320 3.282187 ESP Fit Center 3834 is at 1.852631 3.329993 3.282187 ESP Fit Center 3835 is at 1.526521 3.603632 3.282187 ESP Fit Center 3836 is at 1.852631 1.754167 3.282187 ESP Fit Center 3837 is at 2.065485 2.122840 3.282187 ESP Fit Center 3838 is at 2.500654 2.542080 3.060815 ESP Fit Center 3839 is at 2.446577 2.952831 3.060815 ESP Fit Center 3840 is at 2.288033 3.335590 3.060815 ESP Fit Center 3841 is at 2.035826 3.664273 3.060815 ESP Fit Center 3842 is at 1.707144 3.916480 3.060815 ESP Fit Center 3843 is at 1.324385 4.075024 3.060815 ESP Fit Center 3844 is at 2.446577 2.131329 3.060815 ESP Fit Center 3845 is at 2.822822 2.542080 2.785657 ESP Fit Center 3846 is at 2.774955 2.966914 2.785657 ESP Fit Center 3847 is at 2.633753 3.370446 2.785657 ESP Fit Center 3848 is at 2.406297 3.732439 2.785657 ESP Fit Center 3849 is at 2.103993 4.034744 2.785657 ESP Fit Center 3850 is at 1.741999 4.262199 2.785657 ESP Fit Center 3851 is at 1.338468 4.403401 2.785657 ESP Fit Center 3852 is at 2.774955 2.117246 2.785657 ESP Fit Center 3853 is at 3.097979 2.542080 2.463489 ESP Fit Center 3854 is at 3.058506 2.955470 2.463489 ESP Fit Center 3855 is at 2.941510 3.353919 2.463489 ESP Fit Center 3856 is at 1.017569 4.723952 2.463489 ESP Fit Center 3857 is at -0.178539 0.650381 2.463489 ESP Fit Center 3858 is at 3.058506 2.128690 2.463489 ESP Fit Center 3859 is at 3.319351 2.542080 2.102244 ESP Fit Center 3860 is at 3.282803 2.959828 2.102244 ESP Fit Center 3861 is at 0.495885 4.911249 2.102244 ESP Fit Center 3862 is at 3.481486 2.542080 1.710815 ESP Fit Center 3863 is at 0.283263 5.031357 1.710815 ESP Fit Center 3864 is at -0.117861 4.893651 1.710815 ESP Fit Center 3865 is at 3.580392 2.542080 1.298842 ESP Fit Center 3866 is at 0.089560 5.078318 1.298842 ESP Fit Center 3867 is at -0.297049 4.918179 1.298842 ESP Fit Center 3868 is at -0.653848 4.699533 1.298842 ESP Fit Center 3869 is at 3.613634 2.542080 0.876469 ESP Fit Center 3870 is at 0.198184 5.145564 0.876469 ESP Fit Center 3871 is at -0.190852 5.005840 0.876469 ESP Fit Center 3872 is at -0.128879 4.309257 -2.526290 ESP Fit Center 3873 is at -0.490956 4.085068 -2.526290 ESP Fit Center 3874 is at -0.029309 4.137507 -2.892327 ESP Fit Center 3875 is at -0.391562 3.911713 -2.892327 ESP Fit Center 3876 is at -0.700948 3.617619 -2.892327 ESP Fit Center 3877 is at -0.944801 3.267267 -2.892327 ESP Fit Center 3878 is at -1.113136 2.874999 -2.892327 ESP Fit Center 3879 is at -1.199063 2.456876 -2.892327 ESP Fit Center 3880 is at -1.199063 2.030014 -2.892327 ESP Fit Center 3881 is at -1.113136 1.611891 -2.892327 ESP Fit Center 3882 is at 0.368033 4.019581 -3.220767 ESP Fit Center 3883 is at -0.027239 3.849077 -3.220767 ESP Fit Center 3884 is at -0.372536 3.592013 -3.220767 ESP Fit Center 3885 is at -0.649242 3.262248 -3.220767 ESP Fit Center 3886 is at -0.842440 2.877559 -3.220767 ESP Fit Center 3887 is at -0.941715 2.458684 -3.220767 ESP Fit Center 3888 is at -0.941715 2.028206 -3.220767 ESP Fit Center 3889 is at -0.842440 1.609331 -3.220767 ESP Fit Center 3890 is at -0.649242 1.224642 -3.220767 ESP Fit Center 3891 is at 2.447589 2.243445 -3.502652 ESP Fit Center 3892 is at 0.794146 3.787653 -3.502652 ESP Fit Center 3893 is at 0.381441 3.701892 -3.502652 ESP Fit Center 3894 is at 0.007178 3.507964 -3.502652 ESP Fit Center 3895 is at -0.300885 3.220253 -3.502652 ESP Fit Center 3896 is at -0.519901 2.860097 -3.502652 ESP Fit Center 3897 is at -0.633627 2.454206 -3.502652 ESP Fit Center 3898 is at -0.633627 2.032684 -3.502652 ESP Fit Center 3899 is at -0.519901 1.626793 -3.502652 ESP Fit Center 3900 is at -0.300885 1.266637 -3.502652 ESP Fit Center 3901 is at 2.099160 2.243445 -3.730291 ESP Fit Center 3902 is at 2.026828 2.653660 -3.730291 ESP Fit Center 3903 is at 1.818557 3.014396 -3.730291 ESP Fit Center 3904 is at 1.499467 3.282145 -3.730291 ESP Fit Center 3905 is at 1.108044 3.424611 -3.730291 ESP Fit Center 3906 is at 0.691501 3.424611 -3.730291 ESP Fit Center 3907 is at 0.300079 3.282145 -3.730291 ESP Fit Center 3908 is at -0.019011 3.014396 -3.730291 ESP Fit Center 3909 is at -0.227283 2.653660 -3.730291 ESP Fit Center 3910 is at -0.299615 2.243445 -3.730291 ESP Fit Center 3911 is at -0.227283 1.833230 -3.730291 ESP Fit Center 3912 is at -0.019011 1.472494 -3.730291 ESP Fit Center 3913 is at 0.300079 1.204745 -3.730291 ESP Fit Center 3914 is at 1.818557 1.472494 -3.730291 ESP Fit Center 3915 is at 2.026828 1.833230 -3.730291 ESP Fit Center 3916 is at 1.718016 2.243445 -3.897477 ESP Fit Center 3917 is at 1.608392 2.652566 -3.897477 ESP Fit Center 3918 is at 1.308894 2.952064 -3.897477 ESP Fit Center 3919 is at 0.899773 3.061688 -3.897477 ESP Fit Center 3920 is at 0.490652 2.952064 -3.897477 ESP Fit Center 3921 is at 0.191154 2.652566 -3.897477 ESP Fit Center 3922 is at 0.081530 2.243445 -3.897477 ESP Fit Center 3923 is at 0.191154 1.834324 -3.897477 ESP Fit Center 3924 is at 0.490652 1.534826 -3.897477 ESP Fit Center 3925 is at 0.899773 1.425202 -3.897477 ESP Fit Center 3926 is at 1.308894 1.534826 -3.897477 ESP Fit Center 3927 is at 1.608392 1.834324 -3.897477 ESP Fit Center 3928 is at 1.314551 2.243445 -3.999648 ESP Fit Center 3929 is at 1.107162 2.602654 -3.999648 ESP Fit Center 3930 is at 0.692384 2.602654 -3.999648 ESP Fit Center 3931 is at 0.484995 2.243445 -3.999648 ESP Fit Center 3932 is at 0.692384 1.884236 -3.999648 ESP Fit Center 3933 is at 1.107162 1.884236 -3.999648 ESP Fit Center 3934 is at 0.899773 2.243445 -4.034018 ESP Fit Center 3935 is at -3.698837 -1.517633 3.008172 ESP Fit Center 3936 is at -3.284059 -1.517633 2.973802 ESP Fit Center 3937 is at -3.491448 -1.158425 2.973802 ESP Fit Center 3938 is at -3.906227 -1.158425 2.973802 ESP Fit Center 3939 is at -4.113616 -1.517633 2.973802 ESP Fit Center 3940 is at -3.906227 -1.876842 2.973802 ESP Fit Center 3941 is at -3.491448 -1.876842 2.973802 ESP Fit Center 3942 is at -2.880595 -1.517633 2.871631 ESP Fit Center 3943 is at -4.107959 -0.809014 2.871631 ESP Fit Center 3944 is at -4.407456 -1.108512 2.871631 ESP Fit Center 3945 is at -4.517080 -1.517633 2.871631 ESP Fit Center 3946 is at -4.407456 -1.926755 2.871631 ESP Fit Center 3947 is at -4.107959 -2.226252 2.871631 ESP Fit Center 3948 is at -3.698837 -2.335876 2.871631 ESP Fit Center 3949 is at -3.289716 -2.226252 2.871631 ESP Fit Center 3950 is at -2.990219 -1.926755 2.871631 ESP Fit Center 3951 is at -4.617622 -0.746682 2.704446 ESP Fit Center 3952 is at -4.825893 -1.107419 2.704446 ESP Fit Center 3953 is at -4.898225 -1.517633 2.704446 ESP Fit Center 3954 is at -4.825893 -1.927848 2.704446 ESP Fit Center 3955 is at -4.617622 -2.288585 2.704446 ESP Fit Center 3956 is at -4.298531 -2.556333 2.704446 ESP Fit Center 3957 is at -3.907109 -2.698799 2.704446 ESP Fit Center 3958 is at -3.490566 -2.698799 2.704446 ESP Fit Center 3959 is at -3.099144 -2.556333 2.704446 ESP Fit Center 3960 is at -2.780053 -2.288585 2.704446 ESP Fit Center 3961 is at -2.571782 -1.927848 2.704446 ESP Fit Center 3962 is at -4.899496 -0.540825 2.476806 ESP Fit Center 3963 is at -5.118512 -0.900982 2.476806 ESP Fit Center 3964 is at -5.232237 -1.306872 2.476806 ESP Fit Center 3965 is at -5.232237 -1.728394 2.476806 ESP Fit Center 3966 is at -5.118512 -2.134285 2.476806 ESP Fit Center 3967 is at -4.899496 -2.494441 2.476806 ESP Fit Center 3968 is at -4.591433 -2.782152 2.476806 ESP Fit Center 3969 is at -4.217170 -2.976080 2.476806 ESP Fit Center 3970 is at -3.804464 -3.061841 2.476806 ESP Fit Center 3971 is at -3.383925 -3.033075 2.476806 ESP Fit Center 3972 is at -2.986741 -2.891916 2.476806 ESP Fit Center 3973 is at -2.642371 -2.648833 2.476806 ESP Fit Center 3974 is at -2.376353 -2.321854 2.476806 ESP Fit Center 3975 is at -5.247852 -0.498830 2.194921 ESP Fit Center 3976 is at -5.441050 -0.883520 2.194921 ESP Fit Center 3977 is at -5.540325 -1.302394 2.194921 ESP Fit Center 3978 is at -5.540325 -1.732872 2.194921 ESP Fit Center 3979 is at -5.441050 -2.151747 2.194921 ESP Fit Center 3980 is at -5.247852 -2.536436 2.194921 ESP Fit Center 3981 is at -4.971146 -2.866202 2.194921 ESP Fit Center 3982 is at -4.625850 -3.123265 2.194921 ESP Fit Center 3983 is at -4.230578 -3.293769 2.194921 ESP Fit Center 3984 is at -3.806639 -3.368521 2.194921 ESP Fit Center 3985 is at -3.376890 -3.343491 2.194921 ESP Fit Center 3986 is at -2.964496 -3.220028 2.194921 ESP Fit Center 3987 is at -2.591691 -3.004789 2.194921 ESP Fit Center 3988 is at -2.278572 -2.709377 2.194921 ESP Fit Center 3989 is at -5.543411 -0.493811 1.866481 ESP Fit Center 3990 is at -5.711746 -0.886079 1.866481 ESP Fit Center 3991 is at -5.797673 -1.304203 1.866481 ESP Fit Center 3992 is at -5.797673 -1.731064 1.866481 ESP Fit Center 3993 is at -5.711746 -2.149188 1.866481 ESP Fit Center 3994 is at -5.543411 -2.541455 1.866481 ESP Fit Center 3995 is at -5.299559 -2.891807 1.866481 ESP Fit Center 3996 is at -4.990173 -3.185901 1.866481 ESP Fit Center 3997 is at -4.627919 -3.411695 1.866481 ESP Fit Center 3998 is at -4.227629 -3.559946 1.866481 ESP Fit Center 3999 is at -3.805690 -3.624585 1.866481 ESP Fit Center 4000 is at -3.379376 -3.602965 1.866481 ESP Fit Center 4001 is at -2.966142 -3.495971 1.866481 ESP Fit Center 4002 is at -5.850749 -0.683978 1.500444 ESP Fit Center 4003 is at -5.967292 -1.093586 1.500444 ESP Fit Center 4004 is at -6.006586 -1.517633 1.500444 ESP Fit Center 4005 is at -5.967292 -1.941681 1.500444 ESP Fit Center 4006 is at -5.850749 -2.351288 1.500444 ESP Fit Center 4007 is at -5.660925 -2.732506 1.500444 ESP Fit Center 4008 is at -5.404284 -3.072354 1.500444 ESP Fit Center 4009 is at -5.089567 -3.359257 1.500444 ESP Fit Center 4010 is at -4.727490 -3.583445 1.500444 ESP Fit Center 4011 is at -4.330383 -3.737285 1.500444 ESP Fit Center 4012 is at -3.911770 -3.815538 1.500444 ESP Fit Center 4013 is at -3.485905 -3.815538 1.500444 ESP Fit Center 4014 is at -5.814441 -0.296189 1.106795 ESP Fit Center 4015 is at -5.994402 -0.682116 1.106795 ESP Fit Center 4016 is at -6.104613 -1.093430 1.106795 ESP Fit Center 4017 is at -6.141726 -1.517633 1.106795 ESP Fit Center 4018 is at -6.104613 -1.941836 1.106795 ESP Fit Center 4019 is at -5.994402 -2.353150 1.106795 ESP Fit Center 4020 is at -5.814441 -2.739078 1.106795 ESP Fit Center 4021 is at -5.570199 -3.087892 1.106795 ESP Fit Center 4022 is at -5.269096 -3.388995 1.106795 ESP Fit Center 4023 is at -4.920282 -3.633237 1.106795 ESP Fit Center 4024 is at -4.534355 -3.813198 1.106795 ESP Fit Center 4025 is at -4.123041 -3.923409 1.106795 ESP Fit Center 4026 is at -3.698837 -3.960522 1.106795 ESP Fit Center 4027 is at -5.987290 -0.483187 0.696272 ESP Fit Center 4028 is at -6.129195 -0.884817 0.696272 ESP Fit Center 4029 is at -6.201183 -1.304652 0.696272 ESP Fit Center 4030 is at -6.201183 -1.730614 0.696272 ESP Fit Center 4031 is at -6.129195 -2.150449 0.696272 ESP Fit Center 4032 is at -5.987290 -2.552079 0.696272 ESP Fit Center 4033 is at -5.779551 -2.923950 0.696272 ESP Fit Center 4034 is at -5.511953 -3.255364 0.696272 ESP Fit Center 4035 is at -5.192195 -3.536786 0.696272 ESP Fit Center 4036 is at -4.829476 -3.760121 0.696272 ESP Fit Center 4037 is at -4.434231 -3.918944 0.696272 ESP Fit Center 4038 is at -4.017829 -4.008685 0.696272 ESP Fit Center 4039 is at -5.779551 -0.111317 0.280072 ESP Fit Center 4040 is at -5.987290 -0.483187 0.280072 ESP Fit Center 4041 is at -6.129195 -0.884817 0.280072 ESP Fit Center 4042 is at -6.201183 -1.304652 0.280072 ESP Fit Center 4043 is at -6.201183 -1.730614 0.280072 ESP Fit Center 4044 is at 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is at -4.872658 2.958233 0.492994 ESP Fit Center 4355 is at -1.946110 5.151028 0.082470 ESP Fit Center 4356 is at -2.370313 5.188141 0.082470 ESP Fit Center 4357 is at -2.794516 5.151028 0.082470 ESP Fit Center 4358 is at -3.205830 5.040817 0.082470 ESP Fit Center 4359 is at -3.591757 4.860856 0.082470 ESP Fit Center 4360 is at -3.940571 4.616614 0.082470 ESP Fit Center 4361 is at -4.241674 4.315511 0.082470 ESP Fit Center 4362 is at -4.485917 3.966697 0.082470 ESP Fit Center 4363 is at -4.665877 3.580770 0.082470 ESP Fit Center 4364 is at -4.776089 3.169456 0.082470 ESP Fit Center 4365 is at -4.813202 2.745252 0.082470 ESP Fit Center 4366 is at -2.157381 5.043157 -0.311179 ESP Fit Center 4367 is at -2.583245 5.043157 -0.311179 ESP Fit Center 4368 is at -3.001858 4.964904 -0.311179 ESP Fit Center 4369 is at -3.398965 4.811064 -0.311179 ESP Fit Center 4370 is at -3.761042 4.586876 -0.311179 ESP Fit Center 4371 is at -4.075760 4.299973 -0.311179 ESP Fit Center 4372 is at -4.332400 3.960126 -0.311179 ESP Fit Center 4373 is at -4.522225 3.578907 -0.311179 ESP Fit Center 4374 is at -4.638768 3.169300 -0.311179 ESP Fit Center 4375 is at -4.678062 2.745252 -0.311179 ESP Fit Center 4376 is at -2.477165 4.852204 -0.677216 ESP Fit Center 4377 is at -2.899104 4.787566 -0.677216 ESP Fit Center 4378 is at -3.299395 4.639314 -0.677216 ESP Fit Center 4379 is at -3.661648 4.413520 -0.677216 ESP Fit Center 4380 is at -3.971034 4.119427 -0.677216 ESP Fit Center 4381 is at -4.214887 3.769074 -0.677216 ESP Fit Center 4382 is at -4.383222 3.376807 -0.677216 ESP Fit Center 4383 is at -4.469148 2.958683 -0.677216 ESP Fit Center 4384 is at -4.469148 2.531822 -0.677216 ESP Fit Center 4385 is at -2.478115 4.596140 -1.005656 ESP Fit Center 4386 is at -2.902053 4.521388 -1.005656 ESP Fit Center 4387 is at -3.297325 4.350885 -1.005656 ESP Fit Center 4388 is at -3.642622 4.093821 -1.005656 ESP Fit Center 4389 is at -3.919328 3.764055 -1.005656 ESP Fit Center 4390 is at -4.112526 3.379366 -1.005656 ESP Fit Center 4391 is at -4.211801 2.960492 -1.005656 ESP Fit Center 4392 is at -2.475940 4.289460 -1.287540 ESP Fit Center 4393 is at -2.888645 4.203699 -1.287540 ESP Fit Center 4394 is at -3.262908 4.009772 -1.287540 ESP Fit Center 4395 is at -3.570971 3.722060 -1.287540 ESP Fit Center 4396 is at -3.789987 3.361904 -1.287540 ESP Fit Center 4397 is at -3.903712 2.956013 -1.287540 ESP Fit Center 4398 is at -2.578584 3.926418 -1.515180 ESP Fit Center 4399 is at -2.970007 3.783952 -1.515180 ESP Fit Center 4400 is at -3.289097 3.516204 -1.515180 ESP Fit Center 4401 is at -3.497368 3.155467 -1.515180 ESP Fit Center 4402 is at -2.370313 3.563495 -1.682366 ESP Fit Center 4403 is at -2.779434 3.453871 -1.682366 ESP Fit Center 4404 is at -3.078932 3.154374 -1.682366 ESP Fit Center 4405 is at -0.464733 0.540442 2.370729 ESP Fit Center 4406 is at -0.669052 0.055855 2.208594 ESP Fit Center 4407 is at -0.269018 0.201455 2.208594 ESP Fit Center 4408 is at -2.072265 2.755670 -2.106312 ESP Fit Center 4409 is at -2.004098 2.385200 -2.381469 ESP Fit Center 4410 is at -2.256305 2.056517 -2.381469 ESP Fit Center 4411 is at -2.414849 1.673758 -2.381469 ESP Fit Center 4412 is at -2.468926 1.263007 -2.381469 ESP Fit Center 4413 is at -2.414849 0.852256 -2.381469 ESP Fit Center 4414 is at -1.494793 2.324559 -2.602841 ESP Fit Center 4415 is at -1.820903 2.050919 -2.602841 ESP Fit Center 4416 is at -2.033757 1.682246 -2.602841 ESP Fit Center 4417 is at -2.107680 1.263007 -2.602841 ESP Fit Center 4418 is at -1.299079 1.985572 -2.764976 ESP Fit Center 4419 is at -1.604470 1.680180 -2.764976 ESP Fit Center 4420 is at -1.716252 1.263007 -2.764976 ESP Fit Center 4421 is at -1.304279 1.263007 -2.863882 ESP Fit Center 4422 is at -0.612226 -0.137580 2.140840 ESP Fit Center 4423 is at -2.332345 0.690786 -2.468349 ESP Fit Center 4424 is at -1.986626 0.655930 -2.743506 ESP Fit Center 4425 is at -2.145170 0.273171 -2.743506 ESP Fit Center 4426 is at -0.825079 1.069572 -2.964878 ESP Fit Center 4427 is at -1.225113 0.923972 -2.964878 ESP Fit Center 4428 is at -1.551224 0.650332 -2.964878 ESP Fit Center 4429 is at -1.764077 0.281659 -2.964878 ESP Fit Center 4430 is at -1.838000 -0.137580 -2.964878 ESP Fit Center 4431 is at -1.029399 0.584985 -3.127013 ESP Fit Center 4432 is at -1.334791 0.279593 -3.127013 ESP Fit Center 4433 is at -1.446572 -0.137580 -3.127013 ESP Fit Center 4434 is at -1.334791 -0.554753 -3.127013 ESP Fit Center 4435 is at -1.034599 -0.137580 -3.225919 ESP Fit Center 4436 is at -2.759864 0.446145 -2.233821 ESP Fit Center 4437 is at -2.691697 0.075674 -2.508979 ESP Fit Center 4438 is at -2.943904 -0.253008 -2.508979 ESP Fit Center 4439 is at -3.102448 -0.635767 -2.508979 ESP Fit Center 4440 is at -2.508502 -0.258606 -2.730351 ESP Fit Center 4441 is at -2.721356 -0.627279 -2.730351 ESP Fit Center 4442 is at -1.986677 -0.323954 -2.892486 ESP Fit Center 4443 is at -2.292069 -0.629346 -2.892486 ESP Fit Center 4444 is at -1.780691 -0.680733 -2.991392 ESP Fit Center 4445 is at -0.641564 4.845140 1.035161 ESP Fit Center 4446 is at -0.225466 5.090039 0.707842 ESP Fit Center 4447 is at -0.641760 5.114285 0.707842 ESP Fit Center 4448 is at -1.052425 5.041874 0.707842 ESP Fit Center 4449 is at 0.079334 5.219259 0.334406 ESP Fit Center 4450 is at -0.328739 5.305997 0.334406 ESP Fit Center 4451 is at -0.745929 5.305997 0.334406 ESP Fit Center 4452 is at -1.154002 5.219259 0.334406 ESP Fit Center 4453 is at 0.273380 5.278585 -0.070795 ESP Fit Center 4454 is at -0.124036 5.399139 -0.070795 ESP Fit Center 4455 is at -0.537334 5.439846 -0.070795 ESP Fit Center 4456 is at -0.950632 5.399139 -0.070795 ESP Fit Center 4457 is at -1.348047 5.278585 -0.070795 ESP Fit Center 4458 is at -1.714307 5.082815 -0.070795 ESP Fit Center 4459 is at 0.715589 5.080834 -0.492190 ESP Fit Center 4460 is at 0.359963 5.286155 -0.492190 ESP Fit Center 4461 is at -0.028094 5.420463 -0.492190 ESP Fit Center 4462 is at -0.434557 5.478903 -0.492190 ESP Fit Center 4463 is at -0.844734 5.459364 -0.492190 ESP Fit Center 4464 is at -1.243800 5.362551 -0.492190 ESP Fit Center 4465 is at -1.617334 5.191964 -0.492190 ESP Fit Center 4466 is at -1.951833 4.953769 -0.492190 ESP Fit Center 4467 is at 0.639640 5.082815 -0.913585 ESP Fit Center 4468 is at 0.273380 5.278585 -0.913585 ESP Fit Center 4469 is at -0.124036 5.399139 -0.913585 ESP Fit Center 4470 is at -0.537334 5.439846 -0.913585 ESP Fit Center 4471 is at -0.950632 5.399139 -0.913585 ESP Fit Center 4472 is at -1.348047 5.278585 -0.913585 ESP Fit Center 4473 is at -1.714307 5.082815 -0.913585 ESP Fit Center 4474 is at -2.035337 4.819353 -0.913585 ESP Fit Center 4475 is at 0.460456 5.049572 -1.318786 ESP Fit Center 4476 is at 0.079334 5.219259 -1.318786 ESP Fit Center 4477 is at -0.328739 5.305997 -1.318786 ESP Fit Center 4478 is at -0.745929 5.305997 -1.318786 ESP Fit Center 4479 is at -1.154002 5.219259 -1.318786 ESP Fit Center 4480 is at -1.535124 5.049572 -1.318786 ESP Fit Center 4481 is at -1.872637 4.804354 -1.318786 ESP Fit Center 4482 is at -2.151792 4.494322 -1.318786 ESP Fit Center 4483 is at 0.174015 4.970442 -1.692222 ESP Fit Center 4484 is at -0.225466 5.090039 -1.692222 ESP Fit Center 4485 is at -0.641760 5.114285 -1.692222 ESP Fit Center 4486 is at -1.052425 5.041874 -1.692222 ESP Fit Center 4487 is at -1.435321 4.876709 -1.692222 ESP Fit Center 4488 is at -1.769806 4.627694 -1.692222 ESP Fit Center 4489 is at -2.037848 4.308254 -1.692222 ESP Fit Center 4490 is at -2.224997 3.935609 -1.692222 ESP Fit Center 4491 is at 0.165347 4.677462 -2.019541 ESP Fit Center 4492 is at -0.226585 4.816754 -2.019541 ESP Fit Center 4493 is at -0.641564 4.845140 -2.019541 ESP Fit Center 4494 is at -1.048812 4.760512 -2.019541 ESP Fit Center 4495 is at -1.418127 4.569149 -2.019541 ESP Fit Center 4496 is at -1.722117 4.285242 -2.019541 ESP Fit Center 4497 is at -1.938237 3.929848 -2.019541 ESP Fit Center 4498 is at -2.050458 3.529324 -2.019541 ESP Fit Center 4499 is at -2.050458 3.113375 -2.019541 ESP Fit Center 4500 is at -0.328950 4.503150 -2.288164 ESP Fit Center 4501 is at -0.745717 4.503150 -2.288164 ESP Fit Center 4502 is at -1.137349 4.360607 -2.288164 ESP Fit Center 4503 is at -1.456611 4.092715 -2.288164 ESP Fit Center 4504 is at -1.664995 3.731785 -2.288164 ESP Fit Center 4505 is at -1.737365 3.321350 -2.288164 ESP Fit Center 4506 is at -0.537334 4.147946 -2.487770 ESP Fit Center 4507 is at -0.950632 4.037203 -2.487770 ESP Fit Center 4508 is at -1.253187 3.734648 -2.487770 ESP Fit Center 4509 is at 0.265435 2.696372 3.910202 ESP Fit Center 4510 is at 0.686830 2.696372 3.868699 ESP Fit Center 4511 is at 0.476133 3.061311 3.868699 ESP Fit Center 4512 is at 0.054737 3.061311 3.868699 ESP Fit Center 4513 is at -0.155960 2.696372 3.868699 ESP Fit Center 4514 is at 0.054737 2.331433 3.868699 ESP Fit Center 4515 is at 0.476133 2.331433 3.868699 ESP Fit Center 4516 is at 1.092031 2.696372 3.745782 ESP Fit Center 4517 is at 0.981288 3.109670 3.745782 ESP Fit Center 4518 is at 0.678733 3.412225 3.745782 ESP Fit Center 4519 is at 0.265435 3.522968 3.745782 ESP Fit Center 4520 is at -0.147863 3.412225 3.745782 ESP Fit Center 4521 is at -0.450418 3.109670 3.745782 ESP Fit Center 4522 is at -0.561161 2.696372 3.745782 ESP Fit Center 4523 is at -0.450418 2.283074 3.745782 ESP Fit Center 4524 is at -0.147863 1.980519 3.745782 ESP Fit Center 4525 is at 0.265435 1.869776 3.745782 ESP Fit Center 4526 is at 0.678733 1.980519 3.745782 ESP Fit Center 4527 is at 0.981288 2.283074 3.745782 ESP Fit Center 4528 is at 1.465467 2.696372 3.546177 ESP Fit Center 4529 is at 1.393096 3.106807 3.546177 ESP Fit Center 4530 is at 1.184713 3.467737 3.546177 ESP Fit Center 4531 is at 0.865451 3.735630 3.546177 ESP Fit Center 4532 is at 0.473818 3.878172 3.546177 ESP Fit Center 4533 is at 0.057052 3.878172 3.546177 ESP Fit Center 4534 is at -0.334581 3.735630 3.546177 ESP Fit Center 4535 is at -0.653843 3.467737 3.546177 ESP Fit Center 4536 is at -0.862226 3.106807 3.546177 ESP Fit Center 4537 is at -0.934597 2.696372 3.546177 ESP Fit Center 4538 is at -0.862226 2.285937 3.546177 ESP Fit Center 4539 is at -0.653843 1.925006 3.546177 ESP Fit Center 4540 is at -0.334581 1.657114 3.546177 ESP Fit Center 4541 is at 0.057052 1.514571 3.546177 ESP Fit Center 4542 is at 0.473818 1.514571 3.546177 ESP Fit Center 4543 is at 0.865451 1.657114 3.546177 ESP Fit Center 4544 is at 1.184713 1.925006 3.546177 ESP Fit Center 4545 is at 1.393096 2.285937 3.546177 ESP Fit Center 4546 is at 1.307933 3.812615 3.277553 ESP Fit Center 4547 is at 0.968116 4.052484 3.277553 ESP Fit Center 4548 is at 0.576184 4.191777 3.277553 ESP Fit Center 4549 is at 0.161205 4.220162 3.277553 ESP Fit Center 4550 is at -0.246044 4.135535 3.277553 ESP Fit Center 4551 is at -0.615358 3.944171 3.277553 ESP Fit Center 4552 is at -0.919348 3.660265 3.277553 ESP Fit Center 4553 is at -1.135468 3.304870 3.277553 ESP Fit Center 4554 is at -1.247690 2.904346 3.277553 ESP Fit Center 4555 is at -1.247690 2.488398 3.277553 ESP Fit Center 4556 is at -1.135468 2.087874 3.277553 ESP Fit Center 4557 is at -0.919348 1.732479 3.277553 ESP Fit Center 4558 is at -0.615358 1.448572 3.277553 ESP Fit Center 4559 is at -0.246044 1.257209 3.277553 ESP Fit Center 4560 is at 0.161205 1.172582 3.277553 ESP Fit Center 4561 is at 0.576184 1.200967 3.277553 ESP Fit Center 4562 is at 0.976784 4.345465 2.950234 ESP Fit Center 4563 is at 0.577303 4.465061 2.950234 ESP Fit Center 4564 is at 0.161008 4.489308 2.950234 ESP Fit Center 4565 is at -0.249656 4.416897 2.950234 ESP Fit Center 4566 is at -0.632552 4.251731 2.950234 ESP Fit Center 4567 is at -0.967037 4.002716 2.950234 ESP Fit Center 4568 is at -1.235080 3.683276 2.950234 ESP Fit Center 4569 is at -1.422229 2.082113 2.950234 ESP Fit Center 4570 is at -1.235080 1.709468 2.950234 ESP Fit Center 4571 is at -0.967037 1.390028 2.950234 ESP Fit Center 4572 is at -0.632552 1.141012 2.950234 ESP Fit Center 4573 is at -0.249656 0.975847 2.950234 ESP Fit Center 4574 is at 0.161008 0.903436 2.950234 ESP Fit Center 4575 is at 0.474030 4.681020 2.576799 ESP Fit Center 4576 is at 0.056840 4.681020 2.576799 ESP Fit Center 4577 is at -0.351233 4.594281 2.576799 ESP Fit Center 4578 is at -0.732355 4.424595 2.576799 ESP Fit Center 4579 is at -1.069869 4.179377 2.576799 ESP Fit Center 4580 is at -0.351233 0.798463 2.576799 ESP Fit Center 4581 is at -0.147863 4.774162 2.171597 ESP Fit Center 4582 is at -0.545278 4.653607 2.171597 ESP Fit Center 4583 is at -0.911538 4.457837 2.171597 ESP Fit Center 4584 is at -0.441032 4.737574 1.750202 ESP Fit Center 4585 is at -0.814565 4.566987 1.750202 ESP Fit Center 4586 is at 2.713655 3.813863 2.557209 ESP Fit Center 4587 is at 2.505272 4.174794 2.557209 ESP Fit Center 4588 is at 2.186010 4.442686 2.557209 ESP Fit Center 4589 is at 1.794377 4.585229 2.557209 ESP Fit Center 4590 is at 3.113345 3.403428 2.288586 ESP Fit Center 4591 is at 3.056706 3.815502 2.288586 ESP Fit Center 4592 is at 2.890992 4.197015 2.288586 ESP Fit Center 4593 is at 2.628492 4.519671 2.288586 ESP Fit Center 4594 is at 2.288675 4.759540 2.288586 ESP Fit Center 4595 is at 1.896743 4.898833 2.288586 ESP Fit Center 4596 is at 1.481764 4.927218 2.288586 ESP Fit Center 4597 is at 1.074515 4.842591 2.288586 ESP Fit Center 4598 is at 3.381968 3.403428 1.961267 ESP Fit Center 4599 is at 3.333558 3.817608 1.961267 ESP Fit Center 4600 is at 3.190935 4.209460 1.961267 ESP Fit Center 4601 is at 2.961790 4.557858 1.961267 ESP Fit Center 4602 is at 2.658475 4.844021 1.961267 ESP Fit Center 4603 is at 2.297343 5.052521 1.961267 ESP Fit Center 4604 is at 1.897862 5.172118 1.961267 ESP Fit Center 4605 is at 1.481567 5.196364 1.961267 ESP Fit Center 4606 is at 1.070903 5.123953 1.961267 ESP Fit Center 4607 is at 3.581574 3.403428 1.587831 ESP Fit Center 4608 is at 3.537966 3.818332 1.587831 ESP Fit Center 4609 is at 3.409047 4.215104 1.587831 ESP Fit Center 4610 is at 3.200452 4.576400 1.587831 ESP Fit Center 4611 is at 2.921297 4.886433 1.587831 ESP Fit Center 4612 is at 2.583784 5.131651 1.587831 ESP Fit Center 4613 is at 2.202662 5.301337 1.587831 ESP Fit Center 4614 is at 1.794589 5.388076 1.587831 ESP Fit Center 4615 is at 1.377399 5.388076 1.587831 ESP Fit Center 4616 is at 0.969326 5.301337 1.587831 ESP Fit Center 4617 is at 0.588204 5.131651 1.587831 ESP Fit Center 4618 is at 3.537966 2.988524 1.587831 ESP Fit Center 4619 is at 3.704490 3.403428 1.182630 ESP Fit Center 4620 is at 3.663784 3.816726 1.182630 ESP Fit Center 4621 is at 3.543229 4.214142 1.182630 ESP Fit Center 4622 is at 3.347459 4.580402 1.182630 ESP Fit Center 4623 is at 3.083997 4.901431 1.182630 ESP Fit Center 4624 is at 2.762967 5.164893 1.182630 ESP Fit Center 4625 is at 2.396707 5.360663 1.182630 ESP Fit Center 4626 is at 1.999292 5.481218 1.182630 ESP Fit Center 4627 is at 1.585994 5.521924 1.182630 ESP Fit Center 4628 is at 1.172696 5.481218 1.182630 ESP Fit Center 4629 is at 0.775281 5.360663 1.182630 ESP Fit Center 4630 is at 3.663784 2.990130 1.182630 ESP Fit Center 4631 is at 3.745994 3.403428 0.761235 ESP Fit Center 4632 is at 3.706960 3.812211 0.761235 ESP Fit Center 4633 is at 3.591269 4.206219 0.761235 ESP Fit Center 4634 is at 3.403102 4.571212 0.761235 ESP Fit Center 4635 is at 3.149259 4.893999 0.761235 ESP Fit Center 4636 is at 2.838917 5.162912 0.761235 ESP Fit Center 4637 is at 2.483290 5.368233 0.761235 ESP Fit Center 4638 is at 2.095233 5.502541 0.761235 ESP Fit Center 4639 is at 1.688771 5.560982 0.761235 ESP Fit Center 4640 is at 1.278594 5.541442 0.761235 ESP Fit Center 4641 is at 0.879527 5.444630 0.761235 ESP Fit Center 4642 is at 0.505994 5.274043 0.761235 ESP Fit Center 4643 is at 3.706960 2.994645 0.761235 ESP Fit Center 4644 is at 3.704490 3.403428 0.339840 ESP Fit Center 4645 is at 3.663784 3.816726 0.339840 ESP Fit Center 4646 is at 3.543229 4.214142 0.339840 ESP Fit Center 4647 is at 3.347459 4.580402 0.339840 ESP Fit Center 4648 is at 3.083997 4.901431 0.339840 ESP Fit Center 4649 is at 2.762967 5.164893 0.339840 ESP Fit Center 4650 is at 2.396707 5.360663 0.339840 ESP Fit Center 4651 is at 1.999292 5.481218 0.339840 ESP Fit Center 4652 is at 1.585994 5.521924 0.339840 ESP Fit Center 4653 is at 1.172696 5.481218 0.339840 ESP Fit Center 4654 is at 0.775281 5.360663 0.339840 ESP Fit Center 4655 is at 0.409021 5.164893 0.339840 ESP Fit Center 4656 is at 3.663784 2.990130 0.339840 ESP Fit Center 4657 is at 3.581574 3.403428 -0.065361 ESP Fit Center 4658 is at 3.537966 3.818332 -0.065361 ESP Fit Center 4659 is at 3.409047 4.215104 -0.065361 ESP Fit Center 4660 is at 3.200452 4.576400 -0.065361 ESP Fit Center 4661 is at 2.921297 4.886433 -0.065361 ESP Fit Center 4662 is at 2.583784 5.131651 -0.065361 ESP Fit Center 4663 is at 2.202662 5.301337 -0.065361 ESP Fit Center 4664 is at 1.794589 5.388076 -0.065361 ESP Fit Center 4665 is at 1.377399 5.388076 -0.065361 ESP Fit Center 4666 is at 0.969326 5.301337 -0.065361 ESP Fit Center 4667 is at 0.588204 5.131651 -0.065361 ESP Fit Center 4668 is at 3.381968 3.403428 -0.438797 ESP Fit Center 4669 is at 3.333558 3.817608 -0.438797 ESP Fit Center 4670 is at 3.190935 4.209460 -0.438797 ESP Fit Center 4671 is at 2.961790 4.557858 -0.438797 ESP Fit Center 4672 is at 2.658475 4.844021 -0.438797 ESP Fit Center 4673 is at 2.297343 5.052521 -0.438797 ESP Fit Center 4674 is at 1.897862 5.172118 -0.438797 ESP Fit Center 4675 is at 1.481567 5.196364 -0.438797 ESP Fit Center 4676 is at 1.070903 5.123953 -0.438797 ESP Fit Center 4677 is at -3.942086 0.845056 3.181461 ESP Fit Center 4678 is at -4.152784 1.209995 3.139957 ESP Fit Center 4679 is at -4.363481 0.845056 3.139957 ESP Fit Center 4680 is at -4.152784 0.480117 3.139957 ESP Fit Center 4681 is at -3.942086 1.671652 3.017041 ESP Fit Center 4682 is at -4.355384 1.560910 3.017041 ESP Fit Center 4683 is at -4.657940 1.258354 3.017041 ESP Fit Center 4684 is at -4.768683 0.845056 3.017041 ESP Fit Center 4685 is at -4.657940 0.431758 3.017041 ESP Fit Center 4686 is at -4.355384 0.129203 3.017041 ESP Fit Center 4687 is at -3.733703 2.026857 2.817435 ESP Fit Center 4688 is at -4.150470 2.026857 2.817435 ESP Fit Center 4689 is at -4.542102 1.884314 2.817435 ESP Fit Center 4690 is at -4.861364 1.616422 2.817435 ESP Fit Center 4691 is at -5.069747 1.255491 2.817435 ESP Fit Center 4692 is at -5.142118 0.845056 2.817435 ESP Fit Center 4693 is at -5.069747 0.434621 2.817435 ESP Fit Center 4694 is at -4.861364 0.073691 2.817435 ESP Fit Center 4695 is at -4.542102 -0.194202 2.817435 ESP Fit Center 4696 is at -4.046316 2.368846 2.548812 ESP Fit Center 4697 is at -4.453565 2.284219 2.548812 ESP Fit Center 4698 is at -4.822879 2.092856 2.548812 ESP Fit Center 4699 is at -5.126870 1.808949 2.548812 ESP Fit Center 4700 is at -5.342990 1.453554 2.548812 ESP Fit Center 4701 is at -5.455211 1.053030 2.548812 ESP Fit Center 4702 is at -5.455211 0.637082 2.548812 ESP Fit Center 4703 is at -5.342990 0.236558 2.548812 ESP Fit Center 4704 is at -5.126870 -0.118836 2.548812 ESP Fit Center 4705 is at -4.822879 -0.402743 2.548812 ESP Fit Center 4706 is at -4.457178 2.565581 2.221493 ESP Fit Center 4707 is at -4.840074 2.400416 2.221493 ESP Fit Center 4708 is at -5.174559 2.151401 2.221493 ESP Fit Center 4709 is at -5.442601 1.831960 2.221493 ESP Fit Center 4710 is at -5.629750 1.459316 2.221493 ESP Fit Center 4711 is at -5.725917 1.053556 2.221493 ESP Fit Center 4712 is at -5.725917 0.636556 2.221493 ESP Fit Center 4713 is at -5.629750 0.230797 2.221493 ESP Fit Center 4714 is at -5.442601 -0.141848 2.221493 ESP Fit Center 4715 is at -4.939876 2.573279 1.848057 ESP Fit Center 4716 is at -5.277390 2.328061 1.848057 ESP Fit Center 4717 is at -5.556544 2.018029 1.848057 ESP Fit Center 4718 is at -5.765139 1.656732 1.848057 ESP Fit Center 4719 is at -5.894058 1.259961 1.848057 ESP Fit Center 4720 is at -5.937666 0.845056 1.848057 ESP Fit Center 4721 is at -5.894058 0.430152 1.848057 ESP Fit Center 4722 is at -5.765139 0.033381 1.848057 ESP Fit Center 4723 is at 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0.600066 ESP Fit Center 4742 is at -5.440089 2.343059 0.600066 ESP Fit Center 4743 is at -5.703552 2.022030 0.600066 ESP Fit Center 4744 is at -5.899322 1.655770 0.600066 ESP Fit Center 4745 is at -6.019876 1.258354 0.600066 ESP Fit Center 4746 is at -6.060583 0.845056 0.600066 ESP Fit Center 4747 is at -6.019876 0.431758 0.600066 ESP Fit Center 4748 is at -5.899322 0.034343 0.600066 ESP Fit Center 4749 is at -4.939876 2.573279 0.194865 ESP Fit Center 4750 is at -5.277390 2.328061 0.194865 ESP Fit Center 4751 is at -5.556544 2.018029 0.194865 ESP Fit Center 4752 is at -5.765139 1.656732 0.194865 ESP Fit Center 4753 is at -5.894058 1.259961 0.194865 ESP Fit Center 4754 is at -5.937666 0.845056 0.194865 ESP Fit Center 4755 is at -5.894058 0.430152 0.194865 ESP Fit Center 4756 is at -5.765139 0.033381 0.194865 ESP Fit Center 4757 is at -5.174559 2.151401 -0.178571 ESP Fit Center 4758 is at -5.442601 1.831960 -0.178571 ESP Fit Center 4759 is at -5.629750 1.459316 -0.178571 ESP Fit Center 4760 is at -5.725917 1.053556 -0.178571 ESP Fit Center 4761 is at -5.725917 0.636556 -0.178571 ESP Fit Center 4762 is at -5.629750 0.230797 -0.178571 ESP Fit Center 4763 is at 2.548016 -2.168490 -2.436308 ESP Fit Center 4764 is at 2.542718 -1.803071 -2.797553 ESP Fit Center 4765 is at 2.733006 -1.433964 -2.797553 ESP Fit Center 4766 is at 2.197792 -1.812484 -3.119722 ESP Fit Center 4767 is at 2.425248 -1.450491 -3.119722 ESP Fit Center 4768 is at 2.566450 -1.046959 -3.119722 ESP Fit Center 4769 is at -0.669271 0.171385 -3.394879 ESP Fit Center 4770 is at -0.827815 -0.211374 -3.394879 ESP Fit Center 4771 is at -0.881891 -0.622125 -3.394879 ESP Fit Center 4772 is at -0.827815 -1.032876 -3.394879 ESP Fit Center 4773 is at 2.079529 -1.415635 -3.394879 ESP Fit Center 4774 is at 2.238073 -1.032876 -3.394879 ESP Fit Center 4775 is at -0.446722 -0.202885 -3.616251 ESP Fit Center 4776 is at -0.520645 -0.622125 -3.616251 ESP Fit Center 4777 is at -0.446722 -1.041364 -3.616251 ESP Fit Center 4778 is at 1.644127 -1.410037 -3.616251 ESP Fit Center 4779 is at 1.856980 -1.041364 -3.616251 ESP Fit Center 4780 is at -0.017436 -0.204952 -3.778386 ESP Fit Center 4781 is at -0.129217 -0.622125 -3.778386 ESP Fit Center 4782 is at -0.017436 -1.039298 -3.778386 ESP Fit Center 4783 is at 1.122302 -1.344690 -3.778386 ESP Fit Center 4784 is at 1.427694 -1.039298 -3.778386 ESP Fit Center 4785 is at 0.282756 -0.622125 -3.877292 ESP Fit Center 4786 is at 0.493942 -0.987911 -3.877292 ESP Fit Center 4787 is at 0.916315 -0.987911 -3.877292 ESP Fit Center 4788 is at -1.332786 -2.714867 2.329564 ESP Fit Center 4789 is at -1.541121 -2.354020 2.301063 ESP Fit Center 4790 is at -1.749456 -2.714867 2.301063 ESP Fit Center 4791 is at -1.541121 -3.075714 2.301063 ESP Fit Center 4792 is at -1.124451 -3.075714 2.301063 ESP Fit Center 4793 is at -2.158364 -2.714867 2.216091 ESP Fit Center 4794 is at -2.047757 -3.127656 2.216091 ESP Fit Center 4795 is at -1.745575 -3.429838 2.216091 ESP Fit Center 4796 is at 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-4.313241 1.643240 ESP Fit Center 4815 is at -2.047570 -4.508841 1.643240 ESP Fit Center 4816 is at -1.645208 -4.620556 1.643240 ESP Fit Center 4817 is at -1.228237 -4.643164 1.643240 ESP Fit Center 4818 is at -0.816154 -4.575606 1.643240 ESP Fit Center 4819 is at -0.428229 -4.421043 1.643240 ESP Fit Center 4820 is at -0.082599 -4.186700 1.643240 ESP Fit Center 4821 is at -3.234176 -3.892158 1.358177 ESP Fit Center 4822 is at -2.985474 -4.221491 1.358177 ESP Fit Center 4823 is at -2.680493 -4.499519 1.358177 ESP Fit Center 4824 is at -2.329616 -4.716772 1.358177 ESP Fit Center 4825 is at -1.944794 -4.865853 1.358177 ESP Fit Center 4826 is at -1.539131 -4.941685 1.358177 ESP Fit Center 4827 is at -1.126441 -4.941685 1.358177 ESP Fit Center 4828 is at -0.720777 -4.865853 1.358177 ESP Fit Center 4829 is at -0.335955 -4.716772 1.358177 ESP Fit Center 4830 is at 0.014921 -4.499519 1.358177 ESP Fit Center 4831 is at 0.319903 -4.221491 1.358177 ESP Fit Center 4832 is at -3.305580 -4.250354 1.034206 ESP Fit Center 4833 is at -3.025941 -4.554123 1.034206 ESP Fit Center 4834 is at -2.700117 -4.807723 1.034206 ESP Fit Center 4835 is at -2.336995 -5.004234 1.034206 ESP Fit Center 4836 is at -1.946482 -5.138298 1.034206 ESP Fit Center 4837 is at -1.539228 -5.206256 1.034206 ESP Fit Center 4838 is at -1.126343 -5.206256 1.034206 ESP Fit Center 4839 is at -0.719090 -5.138298 1.034206 ESP Fit Center 4840 is at -0.328576 -5.004234 1.034206 ESP Fit Center 4841 is at 0.034545 -4.807723 1.034206 ESP Fit Center 4842 is at 0.360369 -4.554123 1.034206 ESP Fit Center 4843 is at -3.668175 -4.103268 0.677363 ESP Fit Center 4844 is at -3.428867 -4.443492 0.677363 ESP Fit Center 4845 is at -3.140428 -4.743199 0.677363 ESP Fit Center 4846 is at -2.809620 -4.995363 0.677363 ESP Fit Center 4847 is at -2.444196 -5.194074 0.677363 ESP Fit Center 4848 is at -2.052722 -5.334675 0.677363 ESP Fit Center 4849 is at -1.644372 -5.413870 0.677363 ESP Fit Center 4850 is at -1.228720 -5.429802 0.677363 ESP Fit Center 4851 is at -0.815507 -5.382098 0.677363 ESP Fit Center 4852 is at -0.414418 -5.271877 0.677363 ESP Fit Center 4853 is at -0.034855 -5.101722 0.677363 ESP Fit Center 4854 is at 0.314285 -4.875621 0.677363 ESP Fit Center 4855 is at 0.624820 -4.598873 0.677363 ESP Fit Center 4856 is at -3.758388 -4.273706 0.294296 ESP Fit Center 4857 is at -3.511852 -4.603039 0.294296 ESP Fit Center 4858 is at -3.220958 -4.893933 0.294296 ESP Fit Center 4859 is at -2.891625 -5.140469 0.294296 ESP Fit Center 4860 is at -2.530560 -5.337625 0.294296 ESP Fit Center 4861 is at -2.145110 -5.481391 0.294296 ESP Fit Center 4862 is at -1.743125 -5.568837 0.294296 ESP Fit Center 4863 is at -1.332786 -5.598185 0.294296 ESP Fit Center 4864 is at -0.922447 -5.568837 0.294296 ESP Fit Center 4865 is at -0.520461 -5.481391 0.294296 ESP Fit Center 4866 is at -0.135012 -5.337625 0.294296 ESP Fit Center 4867 is at 0.226054 -5.140469 0.294296 ESP Fit Center 4868 is at 0.555386 -4.893933 0.294296 ESP Fit Center 4869 is at 0.846281 -4.603039 0.294296 ESP Fit Center 4870 is at -3.892624 -4.271539 -0.107861 ESP Fit Center 4871 is at -3.656815 -4.605605 -0.107861 ESP Fit Center 4872 is at -3.377713 -4.904449 -0.107861 ESP Fit Center 4873 is at -3.060518 -5.162506 -0.107861 ESP Fit Center 4874 is at -2.711139 -5.374969 -0.107861 ESP Fit Center 4875 is at -2.336084 -5.537878 -0.107861 ESP Fit Center 4876 is at -1.942339 -5.648200 -0.107861 ESP Fit Center 4877 is at -1.537240 -5.703880 -0.107861 ESP Fit Center 4878 is at -1.128332 -5.703880 -0.107861 ESP Fit Center 4879 is at -0.723232 -5.648200 -0.107861 ESP Fit Center 4880 is at -0.329487 -5.537878 -0.107861 ESP Fit Center 4881 is at 0.045568 -5.374969 -0.107861 ESP Fit Center 4882 is at 0.394947 -5.162506 -0.107861 ESP Fit Center 4883 is at 0.712142 -4.904449 -0.107861 ESP Fit Center 4884 is at 0.991243 -4.605605 -0.107861 ESP Fit Center 4885 is at -4.132909 -3.931132 -0.521614 ESP Fit Center 4886 is at -3.941214 -4.301087 -0.521614 ESP Fit Center 4887 is at -3.700929 -4.641494 -0.521614 ESP Fit Center 4888 is at -3.416529 -4.946011 -0.521614 ESP Fit Center 4889 is at -3.093314 -5.208967 -0.521614 ESP Fit Center 4890 is at -2.737303 -5.425462 -0.521614 ESP Fit Center 4891 is at -2.355129 -5.591464 -0.521614 ESP Fit Center 4892 is at -1.953910 -5.703880 -0.521614 ESP Fit Center 4893 is at -1.541121 -5.760616 -0.521614 ESP Fit Center 4894 is at -1.124451 -5.760616 -0.521614 ESP Fit Center 4895 is at -0.711662 -5.703880 -0.521614 ESP Fit Center 4896 is at -0.310443 -5.591464 -0.521614 ESP Fit Center 4897 is at 0.071731 -5.425462 -0.521614 ESP Fit Center 4898 is at 0.427742 -5.208967 -0.521614 ESP Fit Center 4899 is at 0.750958 -4.946011 -0.521614 ESP Fit Center 4900 is at 1.035357 -4.641494 -0.521614 ESP Fit Center 4901 is at -4.272444 -3.538520 -0.939258 ESP Fit Center 4902 is at -4.132909 -3.931132 -0.939258 ESP Fit Center 4903 is at -3.941214 -4.301087 -0.939258 ESP Fit Center 4904 is at -3.700929 -4.641494 -0.939258 ESP Fit Center 4905 is at -3.416529 -4.946011 -0.939258 ESP Fit Center 4906 is at -3.093314 -5.208967 -0.939258 ESP Fit Center 4907 is at -2.737303 -5.425462 -0.939258 ESP Fit Center 4908 is at -2.355129 -5.591464 -0.939258 ESP Fit Center 4909 is at -1.953910 -5.703880 -0.939258 ESP Fit Center 4910 is at -1.541121 -5.760616 -0.939258 ESP Fit Center 4911 is at -1.124451 -5.760616 -0.939258 ESP Fit Center 4912 is at -0.711662 -5.703880 -0.939258 ESP Fit Center 4913 is at -0.310443 -5.591464 -0.939258 ESP Fit Center 4914 is at 0.071731 -5.425462 -0.939258 ESP Fit Center 4915 is at 0.427742 -5.208967 -0.939258 ESP Fit Center 4916 is at 0.750958 -4.946011 -0.939258 ESP Fit Center 4917 is at 1.035357 -4.641494 -0.939258 ESP Fit Center 4918 is at 1.275643 -4.301087 -0.939258 ESP Fit Center 4919 is at -4.217683 -3.523177 -1.353011 ESP Fit Center 4920 is at -4.080748 -3.908475 -1.353011 ESP Fit Center 4921 is at -3.892624 -4.271539 -1.353011 ESP Fit Center 4922 is at -3.656815 -4.605605 -1.353011 ESP Fit Center 4923 is at -3.377713 -4.904449 -1.353011 ESP Fit Center 4924 is at -3.060518 -5.162506 -1.353011 ESP Fit Center 4925 is at -2.711139 -5.374969 -1.353011 ESP Fit Center 4926 is at -2.336084 -5.537878 -1.353011 ESP Fit Center 4927 is at -1.942339 -5.648200 -1.353011 ESP Fit Center 4928 is at -1.537240 -5.703880 -1.353011 ESP Fit Center 4929 is at -1.128332 -5.703880 -1.353011 ESP Fit Center 4930 is at -0.723232 -5.648200 -1.353011 ESP Fit Center 4931 is at -0.329487 -5.537878 -1.353011 ESP Fit Center 4932 is at 0.045568 -5.374969 -1.353011 ESP Fit Center 4933 is at 0.394947 -5.162506 -1.353011 ESP Fit Center 4934 is at 0.712142 -4.904449 -1.353011 ESP Fit Center 4935 is at 0.991243 -4.605605 -1.353011 ESP Fit Center 4936 is at 1.227052 -4.271539 -1.353011 ESP Fit Center 4937 is at 1.415177 -3.908475 -1.353011 ESP Fit Center 4938 is at 1.552112 -3.523177 -1.353011 ESP Fit Center 4939 is at -4.216104 -2.714867 -1.755168 ESP Fit Center 4940 is at -4.186756 -3.125206 -1.755168 ESP Fit Center 4941 is at -4.099310 -3.527191 -1.755168 ESP Fit Center 4942 is at -3.955544 -3.912641 -1.755168 ESP Fit Center 4943 is at -3.758388 -4.273706 -1.755168 ESP Fit Center 4944 is at -3.511852 -4.603039 -1.755168 ESP Fit Center 4945 is at -3.220958 -4.893933 -1.755168 ESP Fit Center 4946 is at -2.891625 -5.140469 -1.755168 ESP Fit Center 4947 is at -2.530560 -5.337625 -1.755168 ESP Fit Center 4948 is at -2.145110 -5.481391 -1.755168 ESP Fit Center 4949 is at -1.743125 -5.568837 -1.755168 ESP Fit Center 4950 is at -1.332786 -5.598185 -1.755168 ESP Fit Center 4951 is at -0.922447 -5.568837 -1.755168 ESP Fit Center 4952 is at -0.520461 -5.481391 -1.755168 ESP Fit Center 4953 is at -0.135012 -5.337625 -1.755168 ESP Fit Center 4954 is at 0.226054 -5.140469 -1.755168 ESP Fit Center 4955 is at 0.555386 -4.893933 -1.755168 ESP Fit Center 4956 is at 0.846281 -4.603039 -1.755168 ESP Fit Center 4957 is at 1.092816 -4.273706 -1.755168 ESP Fit Center 4958 is at 1.289973 -3.912641 -1.755168 ESP Fit Center 4959 is at -3.852744 -1.699232 -2.138235 ESP Fit Center 4960 is at -3.978247 -2.095805 -2.138235 ESP Fit Center 4961 is at -4.041743 -2.506888 -2.138235 ESP Fit Center 4962 is at -4.041743 -2.922846 -2.138235 ESP Fit Center 4963 is at -3.978247 -3.333929 -2.138235 ESP Fit Center 4964 is at -3.852744 -3.730501 -2.138235 ESP Fit Center 4965 is at -3.668175 -4.103268 -2.138235 ESP Fit Center 4966 is at -3.428867 -4.443492 -2.138235 ESP Fit Center 4967 is at -3.140428 -4.743199 -2.138235 ESP Fit Center 4968 is at -2.809620 -4.995363 -2.138235 ESP Fit Center 4969 is at -2.444196 -5.194074 -2.138235 ESP Fit Center 4970 is at -2.052722 -5.334675 -2.138235 ESP Fit Center 4971 is at -1.644372 -5.413870 -2.138235 ESP Fit Center 4972 is at -1.228720 -5.429802 -2.138235 ESP Fit Center 4973 is at -0.815507 -5.382098 -2.138235 ESP Fit Center 4974 is at -0.414418 -5.271877 -2.138235 ESP Fit Center 4975 is at -0.034855 -5.101722 -2.138235 ESP Fit Center 4976 is at 0.314285 -4.875621 -2.138235 ESP Fit Center 4977 is at 0.624820 -4.598873 -2.138235 ESP Fit Center 4978 is at 0.889470 -4.277967 -2.138235 ESP Fit Center 4979 is at 1.102032 -3.920422 -2.138235 ESP Fit Center 4980 is at -3.305580 -1.179379 -2.495078 ESP Fit Center 4981 is at -3.531407 -1.525033 -2.495078 ESP Fit Center 4982 is at -3.697261 -1.903142 -2.495078 ESP Fit Center 4983 is at -3.798618 -2.303392 -2.495078 ESP Fit Center 4984 is at -3.832714 -2.714867 -2.495078 ESP Fit Center 4985 is at -3.798618 -3.126341 -2.495078 ESP Fit Center 4986 is at -3.697261 -3.526592 -2.495078 ESP Fit Center 4987 is at -3.531407 -3.904701 -2.495078 ESP Fit Center 4988 is at -3.305580 -4.250354 -2.495078 ESP Fit Center 4989 is at -3.025941 -4.554123 -2.495078 ESP Fit Center 4990 is at -2.700117 -4.807723 -2.495078 ESP Fit Center 4991 is at -2.336995 -5.004234 -2.495078 ESP Fit Center 4992 is at -1.946482 -5.138298 -2.495078 ESP Fit Center 4993 is at -1.539228 -5.206256 -2.495078 ESP Fit Center 4994 is at 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is at -3.252595 -2.923659 -3.104113 ESP Fit Center 5031 is at -3.162826 -3.331479 -3.104113 ESP Fit Center 5032 is at -2.987488 -3.710468 -3.104113 ESP Fit Center 5033 is at -2.734777 -4.042903 -3.104113 ESP Fit Center 5034 is at -2.416510 -4.313241 -3.104113 ESP Fit Center 5035 is at -2.047570 -4.508841 -3.104113 ESP Fit Center 5036 is at -1.645208 -4.620556 -3.104113 ESP Fit Center 5037 is at -1.228237 -4.643164 -3.104113 ESP Fit Center 5038 is at -0.816154 -4.575606 -3.104113 ESP Fit Center 5039 is at -0.428229 -4.421043 -3.104113 ESP Fit Center 5040 is at -0.082599 -4.186700 -3.104113 ESP Fit Center 5041 is at 0.204573 -3.883536 -3.104113 ESP Fit Center 5042 is at 0.419860 -3.525727 -3.104113 ESP Fit Center 5043 is at -0.921282 -1.179115 -3.344959 ESP Fit Center 5044 is at -1.332786 -1.124940 -3.344959 ESP Fit Center 5045 is at -1.744289 -1.179115 -3.344959 ESP Fit Center 5046 is at -2.127749 -1.337950 -3.344959 ESP Fit Center 5047 is at -2.457034 -1.590619 -3.344959 ESP Fit Center 5048 is at -2.709703 -1.919903 -3.344959 ESP Fit Center 5049 is at -2.868537 -2.303363 -3.344959 ESP Fit Center 5050 is at -2.922713 -2.714867 -3.344959 ESP Fit Center 5051 is at -2.868537 -3.126370 -3.344959 ESP Fit Center 5052 is at -2.709703 -3.509830 -3.344959 ESP Fit Center 5053 is at -2.457034 -3.839115 -3.344959 ESP Fit Center 5054 is at -2.127749 -4.091784 -3.344959 ESP Fit Center 5055 is at -1.744289 -4.250618 -3.344959 ESP Fit Center 5056 is at -1.332786 -4.304794 -3.344959 ESP Fit Center 5057 is at -0.921282 -4.250618 -3.344959 ESP Fit Center 5058 is at -0.537822 -4.091784 -3.344959 ESP Fit Center 5059 is at -0.208538 -3.839115 -3.344959 ESP Fit Center 5060 is at 0.044131 -3.509830 -3.344959 ESP Fit Center 5061 is at 0.202966 -3.126370 -3.344959 ESP Fit Center 5062 is at -0.113678 -2.714867 -3.537103 ESP Fit Center 5063 is at -0.723232 -1.659089 -3.537103 ESP Fit Center 5064 is at -1.121090 -1.514280 -3.537103 ESP Fit Center 5065 is at -1.544482 -1.514280 -3.537103 ESP Fit Center 5066 is at -1.942339 -1.659089 -3.537103 ESP Fit Center 5067 is at -2.266676 -1.931240 -3.537103 ESP Fit Center 5068 is at -2.478372 -2.297908 -3.537103 ESP Fit Center 5069 is at -2.551893 -2.714867 -3.537103 ESP Fit Center 5070 is at -2.478372 -3.131826 -3.537103 ESP Fit Center 5071 is at -2.266676 -3.498494 -3.537103 ESP Fit Center 5072 is at -1.942339 -3.770645 -3.537103 ESP Fit Center 5073 is at -1.544482 -3.915453 -3.537103 ESP Fit Center 5074 is at -1.121090 -3.915453 -3.537103 ESP Fit Center 5075 is at -0.723232 -3.770645 -3.537103 ESP Fit Center 5076 is at -0.398895 -3.498494 -3.537103 ESP Fit Center 5077 is at -0.187200 -3.131826 -3.537103 ESP Fit Center 5078 is at -0.507208 -2.714867 -3.676963 ESP Fit Center 5079 is at -0.617814 -2.302078 -3.676963 ESP Fit Center 5080 is at -0.919997 -1.999895 -3.676963 ESP Fit Center 5081 is at -1.332786 -1.889289 -3.676963 ESP Fit Center 5082 is at -1.745575 -1.999895 -3.676963 ESP Fit Center 5083 is at -2.047757 -2.302078 -3.676963 ESP Fit Center 5084 is at -2.158364 -2.714867 -3.676963 ESP Fit Center 5085 is at -2.047757 -3.127656 -3.676963 ESP Fit Center 5086 is at -1.745575 -3.429838 -3.676963 ESP Fit Center 5087 is at -1.332786 -3.540445 -3.676963 ESP Fit Center 5088 is at -0.919997 -3.429838 -3.676963 ESP Fit Center 5089 is at -0.617814 -3.127656 -3.676963 ESP Fit Center 5090 is at -0.916116 -2.714867 -3.761935 ESP Fit Center 5091 is at -1.124451 -2.354020 -3.761935 ESP Fit Center 5092 is at -1.541121 -2.354020 -3.761935 ESP Fit Center 5093 is at -1.749456 -2.714867 -3.761935 ESP Fit Center 5094 is at -1.541121 -3.075714 -3.761935 ESP Fit Center 5095 is at -1.124451 -3.075714 -3.761935 ESP Fit Center 5096 is at -1.332786 -2.714867 -3.790436 ESP Fit Center 5097 is at 3.251875 2.049665 2.218043 ESP Fit Center 5098 is at 3.456283 2.050389 1.844608 ESP Fit Center 5099 is at 3.582102 2.048783 1.439407 ESP Fit Center 5100 is at 3.452306 3.439829 -0.754211 ESP Fit Center 5101 is at 3.323387 3.836600 -0.754211 ESP Fit Center 5102 is at 3.114792 4.197897 -0.754211 ESP Fit Center 5103 is at 2.835637 4.507930 -0.754211 ESP Fit Center 5104 is at 2.498124 4.753148 -0.754211 ESP Fit Center 5105 is at 2.117002 4.922834 -0.754211 ESP Fit Center 5106 is at 1.708929 5.009573 -0.754211 ESP Fit Center 5107 is at 1.291739 5.009573 -0.754211 ESP Fit Center 5108 is at 3.578124 3.438223 -1.159412 ESP Fit Center 5109 is at 3.457569 3.835638 -1.159412 ESP Fit Center 5110 is at 3.261799 4.201898 -1.159412 ESP Fit Center 5111 is at 2.998337 4.522928 -1.159412 ESP Fit Center 5112 is at 2.677307 4.786390 -1.159412 ESP Fit Center 5113 is at 2.311047 4.982160 -1.159412 ESP Fit Center 5114 is at 1.913632 5.102715 -1.159412 ESP Fit Center 5115 is at 1.500334 5.143421 -1.159412 ESP Fit Center 5116 is at 1.087036 5.102715 -1.159412 ESP Fit Center 5117 is at 0.689621 4.982160 -1.159412 ESP Fit Center 5118 is at 3.621300 3.433707 -1.580807 ESP Fit Center 5119 is at 3.505609 3.827716 -1.580807 ESP Fit Center 5120 is at 3.317442 4.192709 -1.580807 ESP Fit Center 5121 is at 3.063599 4.515495 -1.580807 ESP Fit Center 5122 is at 2.753257 4.784409 -1.580807 ESP Fit Center 5123 is at 2.397630 4.989730 -1.580807 ESP Fit Center 5124 is at 2.009573 5.124038 -1.580807 ESP Fit Center 5125 is at 1.603111 5.182478 -1.580807 ESP Fit Center 5126 is at 1.192934 5.162939 -1.580807 ESP Fit Center 5127 is at 0.793867 5.066126 -1.580807 ESP Fit Center 5128 is at 3.578124 3.438223 -2.002202 ESP Fit Center 5129 is at 3.457569 3.835638 -2.002202 ESP Fit Center 5130 is at 3.261799 4.201898 -2.002202 ESP Fit Center 5131 is at 2.998337 4.522928 -2.002202 ESP Fit Center 5132 is at 2.677307 4.786390 -2.002202 ESP Fit Center 5133 is at 2.311047 4.982160 -2.002202 ESP Fit Center 5134 is at 1.913632 5.102715 -2.002202 ESP Fit Center 5135 is at 1.500334 5.143421 -2.002202 ESP Fit Center 5136 is at 1.087036 5.102715 -2.002202 ESP Fit Center 5137 is at 0.689621 4.982160 -2.002202 ESP Fit Center 5138 is at 0.323361 4.786390 -2.002202 ESP Fit Center 5139 is at 3.495914 3.024925 -2.407403 ESP Fit Center 5140 is at 3.452306 3.439829 -2.407403 ESP Fit Center 5141 is at 3.323387 3.836600 -2.407403 ESP Fit Center 5142 is at 3.114792 4.197897 -2.407403 ESP Fit Center 5143 is at 2.835637 4.507930 -2.407403 ESP Fit Center 5144 is at 2.498124 4.753148 -2.407403 ESP Fit Center 5145 is at 2.117002 4.922834 -2.407403 ESP Fit Center 5146 is at 1.708929 5.009573 -2.407403 ESP Fit Center 5147 is at 1.291739 5.009573 -2.407403 ESP Fit Center 5148 is at 0.883666 4.922834 -2.407403 ESP Fit Center 5149 is at 0.502544 4.753148 -2.407403 ESP Fit Center 5150 is at 0.165030 4.507930 -2.407403 ESP Fit Center 5151 is at 3.296308 3.024925 -2.780839 ESP Fit Center 5152 is at 3.247898 3.439105 -2.780839 ESP Fit Center 5153 is at 3.105275 3.830957 -2.780839 ESP Fit Center 5154 is at 2.876130 4.179355 -2.780839 ESP Fit Center 5155 is at 2.572815 4.465517 -2.780839 ESP Fit Center 5156 is at 2.211683 4.674017 -2.780839 ESP Fit Center 5157 is at 1.812202 4.793614 -2.780839 ESP Fit Center 5158 is at 1.395907 4.817861 -2.780839 ESP Fit Center 5159 is at 0.985243 4.745449 -2.780839 ESP Fit Center 5160 is at 0.602347 4.580284 -2.780839 ESP Fit Center 5161 is at 0.267862 4.331269 -2.780839 ESP Fit Center 5162 is at 3.027685 3.024925 -3.108158 ESP Fit Center 5163 is at 2.971046 3.436999 -3.108158 ESP Fit Center 5164 is at 2.805332 3.818512 -3.108158 ESP Fit Center 5165 is at 2.542832 4.141168 -3.108158 ESP Fit Center 5166 is at 2.203015 4.381037 -3.108158 ESP Fit Center 5167 is at 1.811083 4.520329 -3.108158 ESP Fit Center 5168 is at 1.396104 4.548715 -3.108158 ESP Fit Center 5169 is at 0.988855 4.464088 -3.108158 ESP Fit Center 5170 is at 0.619541 4.272724 -3.108158 ESP Fit Center 5171 is at 2.700366 3.024925 -3.376781 ESP Fit Center 5172 is at 2.627995 3.435360 -3.376781 ESP Fit Center 5173 is at 2.419612 3.796290 -3.376781 ESP Fit Center 5174 is at 2.100350 4.064183 -3.376781 ESP Fit Center 5175 is at 1.708717 4.206725 -3.376781 ESP Fit Center 5176 is at 1.291951 4.206725 -3.376781 ESP Fit Center 5177 is at 0.900318 4.064183 -3.376781 ESP Fit Center 5178 is at 2.627995 2.614490 -3.376781 ESP Fit Center 5179 is at 2.326930 3.024925 -3.576387 ESP Fit Center 5180 is at 2.216187 3.438223 -3.576387 ESP Fit Center 5181 is at 1.913632 3.740778 -3.576387 ESP Fit Center 5182 is at 1.500334 3.851521 -3.576387 ESP Fit Center 5183 is at 1.087036 3.740778 -3.576387 ESP Fit Center 5184 is at 1.921729 3.024925 -3.699303 ESP Fit Center 5185 is at 1.711032 3.389864 -3.699303 ESP Fit Center 5186 is at 1.779759 -3.341543 -1.699205 ESP Fit Center 5187 is at 2.090102 -3.072629 -1.699205 ESP Fit Center 5188 is at 1.337550 -3.539294 -2.120600 ESP Fit Center 5189 is at 1.703810 -3.343524 -2.120600 ESP Fit Center 5190 is at 2.024839 -3.080062 -2.120600 ESP Fit Center 5191 is at 2.288302 -2.759032 -2.120600 ESP Fit Center 5192 is at 1.143504 -3.479968 -2.525801 ESP Fit Center 5193 is at 1.524626 -3.310281 -2.525801 ESP Fit Center 5194 is at 1.862140 -3.065063 -2.525801 ESP Fit Center 5195 is at 2.141294 -2.755031 -2.525801 ESP Fit Center 5196 is at 2.349889 -2.393734 -2.525801 ESP Fit Center 5197 is at 0.838704 -3.350748 -2.899237 ESP Fit Center 5198 is at 1.238186 -3.231151 -2.899237 ESP Fit Center 5199 is at 1.599318 -3.022651 -2.899237 ESP Fit Center 5200 is at 1.902633 -2.736489 -2.899237 ESP Fit Center 5201 is at 2.131778 -2.388090 -2.899237 ESP Fit Center 5202 is at 0.422606 -3.105849 -3.226556 ESP Fit Center 5203 is at 0.837585 -3.077463 -3.226556 ESP Fit Center 5204 is at 1.229517 -2.938171 -3.226556 ESP Fit Center 5205 is at 1.569334 -2.698301 -3.226556 ESP Fit Center 5206 is at 1.831834 -2.375645 -3.226556 ESP Fit Center 5207 is at 1.997549 -1.994133 -3.226556 ESP Fit Center 5208 is at 0.318453 -2.763859 -3.495180 ESP Fit Center 5209 is at 0.735220 -2.763859 -3.495180 ESP Fit Center 5210 is at 1.126852 -2.621316 -3.495180 ESP Fit Center 5211 is at 1.446114 -2.353424 -3.495180 ESP Fit Center 5212 is at 1.654497 -1.992494 -3.495180 ESP Fit Center 5213 is at 1.353433 -1.582058 -3.694785 ESP Fit Center 5214 is at -0.299760 -1.582058 -3.694785 ESP Fit Center 5215 is at -0.189017 -1.995357 -3.694785 ESP Fit Center 5216 is at 0.113538 -2.297912 -3.694785 ESP Fit Center 5217 is at 0.526836 -2.408655 -3.694785 ESP Fit Center 5218 is at 0.940135 -2.297912 -3.694785 ESP Fit Center 5219 is at 1.242690 -1.995357 -3.694785 ESP Fit Center 5220 is at 0.948231 -1.582058 -3.817701 ESP Fit Center 5221 is at 0.316139 -1.217120 -3.817701 ESP Fit Center 5222 is at 0.105441 -1.582058 -3.817701 ESP Fit Center 5223 is at 0.316139 -1.946997 -3.817701 ESP Fit Center 5224 is at 0.737534 -1.946997 -3.817701 ESP Fit Center 5225 is at 0.526836 -1.582058 -3.859205 ESP Fit Center 5226 is at -0.320408 0.722625 -3.446107 ESP Fit Center 5227 is at 2.385493 -0.679460 -3.446107 ESP Fit Center 5228 is at 2.280527 0.114127 -3.714730 ESP Fit Center 5229 is at 1.680511 1.153385 -3.714730 ESP Fit Center 5230 is at 0.161218 0.885492 -3.714730 ESP Fit Center 5231 is at -0.047166 0.524562 -3.714730 ESP Fit Center 5232 is at -0.119536 0.114127 -3.714730 ESP Fit Center 5233 is at 1.680511 -0.925131 -3.714730 ESP Fit Center 5234 is at 1.999773 -0.657239 -3.714730 ESP Fit Center 5235 is at 2.208156 -0.296308 -3.714730 ESP Fit Center 5236 is at 1.907091 0.114127 -3.914336 ESP Fit Center 5237 is at 1.796349 0.527425 -3.914336 ESP Fit Center 5238 is at 1.493793 0.829980 -3.914336 ESP Fit Center 5239 is at 1.080495 0.940723 -3.914336 ESP Fit Center 5240 is at 0.667197 0.829980 -3.914336 ESP Fit Center 5241 is at 0.364642 0.527425 -3.914336 ESP Fit Center 5242 is at 0.253899 0.114127 -3.914336 ESP Fit Center 5243 is at 0.364642 -0.299171 -3.914336 ESP Fit Center 5244 is at 0.667197 -0.601727 -3.914336 ESP Fit Center 5245 is at 1.080495 -0.712469 -3.914336 ESP Fit Center 5246 is at 1.493793 -0.601727 -3.914336 ESP Fit Center 5247 is at 1.796349 -0.299171 -3.914336 ESP Fit Center 5248 is at 1.501890 0.114127 -4.037252 ESP Fit Center 5249 is at 1.291193 0.479066 -4.037252 ESP Fit Center 5250 is at 0.869798 0.479066 -4.037252 ESP Fit Center 5251 is at 0.659100 0.114127 -4.037252 ESP Fit Center 5252 is at 0.869798 -0.250812 -4.037252 ESP Fit Center 5253 is at 1.291193 -0.250812 -4.037252 ESP Fit Center 5254 is at 1.080495 0.114127 -4.078756 ESP Fit Center 5255 is at 2.937806 -2.917386 -1.431923 ESP Fit Center 5256 is at 3.281313 -2.676860 -1.431923 ESP Fit Center 5257 is at 2.249926 -2.956746 -1.793169 ESP Fit Center 5258 is at 2.642357 -2.820924 -1.793169 ESP Fit Center 5259 is at 3.001992 -2.613289 -1.793169 ESP Fit Center 5260 is at 2.563313 -2.554093 -2.115337 ESP Fit Center 5261 is at 2.925307 -2.326637 -2.115337 ESP Fit Center 5262 is at 2.857140 -1.956166 -2.390494 ESP Fit Center 5263 is at 1.027067 -2.811733 3.318792 ESP Fit Center 5264 is at 0.846444 -3.124581 3.097421 ESP Fit Center 5265 is at 1.229203 -3.283125 3.097421 ESP Fit Center 5266 is at 0.811589 -3.470301 2.822263 ESP Fit Center 5267 is at 1.215120 -3.611502 2.822263 ESP Fit Center 5268 is at 1.639955 -3.659370 2.822263 ESP Fit Center 5269 is at 2.064789 -3.611502 2.822263 ESP Fit Center 5270 is at 0.925525 -3.814390 2.500095 ESP Fit Center 5271 is at 1.329090 -3.912294 2.500095 ESP Fit Center 5272 is at 1.743890 -3.932053 2.500095 ESP Fit Center 5273 is at 2.154934 -3.872954 2.500095 ESP Fit Center 5274 is at 2.547365 -3.737132 2.500095 ESP Fit Center 5275 is at 0.817151 -4.010816 2.138849 ESP Fit Center 5276 is at 1.222206 -4.119351 2.138849 ESP Fit Center 5277 is at 0.608460 -4.101752 1.747421 ESP Fit Center 5278 is at 1.009584 -4.239458 1.747421 ESP Fit Center 5279 is at 0.429271 -4.126281 1.335448 ESP Fit Center 5280 is at 2.615347 -0.195752 4.427085 ESP Fit Center 5281 is at 2.198174 -0.307533 4.427085 ESP Fit Center 5282 is at 3.228234 0.031454 4.264950 ESP Fit Center 5283 is at 2.828200 0.177054 4.264950 ESP Fit Center 5284 is at 2.402493 0.177054 4.264950 ESP Fit Center 5285 is at 2.002460 0.031454 4.264950 ESP Fit Center 5286 is at 1.676349 -0.242185 4.264950 ESP Fit Center 5287 is at 1.463496 -0.610858 4.264950 ESP Fit Center 5288 is at 3.989747 -0.236588 4.043578 ESP Fit Center 5289 is at 3.737540 0.092095 4.043578 ESP Fit Center 5290 is at 3.408857 0.344302 4.043578 ESP Fit Center 5291 is at 3.026098 0.502846 4.043578 ESP Fit Center 5292 is at 1.240947 -0.236588 4.043578 ESP Fit Center 5293 is at 1.082403 -0.619347 4.043578 ESP Fit Center 5294 is at 1.028327 -1.030098 4.043578 ESP Fit Center 5295 is at 1.082403 -1.440849 4.043578 ESP Fit Center 5296 is at 4.335466 -0.201732 3.768420 ESP Fit Center 5297 is at 4.108010 0.160262 3.768420 ESP Fit Center 5298 is at 3.805706 0.462566 3.768420 ESP Fit Center 5299 is at 3.443713 0.690021 3.768420 ESP Fit Center 5300 is at 0.754026 -0.605263 3.768420 ESP Fit Center 5301 is at 0.706159 -1.030098 3.768420 ESP Fit Center 5302 is at 0.754026 -1.454932 3.768420 ESP Fit Center 5303 is at 0.895228 -1.858464 3.768420 ESP Fit Center 5304 is at 4.760219 -0.616708 3.446252 ESP Fit Center 5305 is at 4.452936 0.150849 3.446252 ESP Fit Center 5306 is at 4.196232 0.477273 3.446252 ESP Fit Center 5307 is at 3.882392 0.749218 3.446252 ESP Fit Center 5308 is at 0.519482 -0.414696 3.446252 ESP Fit Center 5309 is at 0.440892 -0.822463 3.446252 ESP Fit Center 5310 is at 0.440892 -1.237733 3.446252 ESP Fit Center 5311 is at 0.898335 -2.380371 3.446252 ESP Fit Center 5312 is at 3.818206 1.053315 3.085006 ESP Fit Center 5313 is at 0.246178 -0.612349 3.085006 ESP Fit Center 5314 is at 5.031368 -0.830003 3.325676 ESP Fit Center 5315 is at 4.957444 -1.249243 3.325676 ESP Fit Center 5316 is at 5.179993 -1.623513 3.104305 ESP Fit Center 5317 is at 5.338537 -1.240754 3.104305 ESP Fit Center 5318 is at 4.995953 -2.322667 2.829147 ESP Fit Center 5319 is at 5.298257 -2.020363 2.829147 ESP Fit Center 5320 is at 5.525712 -1.658369 2.829147 ESP Fit Center 5321 is at 4.713003 -2.816954 2.506979 ESP Fit Center 5322 is at 5.072638 -2.609319 2.506979 ESP Fit Center 5323 is at 5.386479 -2.337374 2.506979 ESP Fit Center 5324 is at 5.643182 -2.010950 2.506979 ESP Fit Center 5325 is at 5.833470 -1.641843 2.506979 ESP Fit Center 5326 is at 5.648480 -2.376369 2.145733 ESP Fit Center 5327 is at 5.889006 -2.032862 2.145733 ESP Fit Center 5328 is at 6.066228 -1.652807 2.145733 ESP Fit Center 5329 is at 3.593542 1.729079 1.754305 ESP Fit Center 5330 is at 6.063952 -2.052166 1.754305 ESP Fit Center 5331 is at 6.234312 -1.663784 1.754305 ESP Fit Center 5332 is at 3.805593 1.836755 1.342332 ESP Fit Center 5333 is at 6.341831 -1.654077 1.342332 ESP Fit Center 5334 is at 6.379763 -1.644649 0.919959 ESP Fit Center 5335 is at 6.473950 -1.242156 0.919959 ESP Fit Center 5336 is at 6.439520 -1.247176 0.497586 ESP Fit Center 5337 is at 6.373446 -0.830003 0.085613 ESP Fit Center 5338 is at 6.338424 -1.252658 0.085613 ESP Fit Center 5339 is at 6.211311 -0.830003 -0.305815 ESP Fit Center 5340 is at 6.174763 -0.412255 -0.305815 ESP Fit Center 5341 is at 6.066228 -0.007199 -0.305815 ESP Fit Center 5342 is at 6.174763 -1.247752 -0.305815 ESP Fit Center 5343 is at 5.989939 -0.830003 -0.667061 ESP Fit Center 5344 is at 5.950465 -1.243393 -0.667061 ESP Fit Center 5345 is at 5.666914 -1.254838 -0.989229 ESP Fit Center 5346 is at 3.447271 -2.642762 -1.450494 ESP Fit Center 5347 is at 3.852326 -2.534228 -1.450494 ESP Fit Center 5348 is at 4.872409 -1.819958 -1.450494 ESP Fit Center 5349 is at 3.544501 -2.396365 -1.811740 ESP Fit Center 5350 is at 3.936932 -2.260544 -1.811740 ESP Fit Center 5351 is at 4.296567 -2.052908 -1.811740 ESP Fit Center 5352 is at 4.610408 -1.780964 -1.811740 ESP Fit Center 5353 is at 3.454356 -2.134914 -2.133908 ESP Fit Center 5354 is at 3.857888 -1.993712 -2.133908 ESP Fit Center 5355 is at 3.029522 -1.860613 -2.409066 ESP Fit Center 5356 is at 3.440273 -1.806536 -2.409066 ESP Fit Center 5357 is at 0.628607 -1.874573 3.481002 ESP Fit Center 5358 is at 0.417909 -1.509634 3.439498 ESP Fit Center 5359 is at 0.207212 -1.874573 3.439498 ESP Fit Center 5360 is at 0.417909 -2.239512 3.439498 ESP Fit Center 5361 is at 0.215309 -1.158720 3.316582 ESP Fit Center 5362 is at -0.087246 -1.461275 3.316582 ESP Fit Center 5363 is at -0.197989 -1.874573 3.316582 ESP Fit Center 5364 is at -0.087246 -2.287871 3.316582 ESP Fit Center 5365 is at 0.215309 -2.590427 3.316582 ESP Fit Center 5366 is at 0.628607 -2.701169 3.316582 ESP Fit Center 5367 is at 0.028591 -0.835315 3.116976 ESP Fit Center 5368 is at -0.290671 -1.103208 3.116976 ESP Fit Center 5369 is at -0.499054 -1.464138 3.116976 ESP Fit Center 5370 is at -0.571425 -1.874573 3.116976 ESP Fit Center 5371 is at -0.499054 -2.285008 3.116976 ESP Fit Center 5372 is at -0.290671 -2.645939 3.116976 ESP Fit Center 5373 is at 0.028591 -2.913831 3.116976 ESP Fit Center 5374 is at 0.420224 -3.056374 3.116976 ESP Fit Center 5375 is at 0.117128 -0.435410 2.848353 ESP Fit Center 5376 is at -0.252186 -0.626774 2.848353 ESP Fit Center 5377 is at -0.556176 -0.910681 2.848353 ESP Fit Center 5378 is at -0.772296 -1.266075 2.848353 ESP Fit Center 5379 is at -0.884518 -1.666599 2.848353 ESP Fit Center 5380 is at -0.884518 -2.082547 2.848353 ESP Fit Center 5381 is at -0.772296 -2.483071 2.848353 ESP Fit Center 5382 is at -0.556176 -2.838466 2.848353 ESP Fit Center 5383 is at -0.252186 -3.122373 2.848353 ESP Fit Center 5384 is at 0.117128 -3.313736 2.848353 ESP Fit Center 5385 is at 0.524377 -3.398363 2.848353 ESP Fit Center 5386 is at -0.269380 -0.319214 2.521034 ESP Fit Center 5387 is at -0.603865 -0.568229 2.521034 ESP Fit Center 5388 is at -0.871908 -0.887669 2.521034 ESP Fit Center 5389 is at -1.059057 -1.260314 2.521034 ESP Fit Center 5390 is at -1.155224 -1.666073 2.521034 ESP Fit Center 5391 is at -1.155224 -2.083073 2.521034 ESP Fit Center 5392 is at -1.059057 -2.488833 2.521034 ESP Fit Center 5393 is at -0.871908 -2.861477 2.521034 ESP Fit Center 5394 is at -0.603865 -3.180918 2.521034 ESP Fit Center 5395 is at -0.269380 -3.429933 2.521034 ESP Fit Center 5396 is at 0.113516 -3.595098 2.521034 ESP Fit Center 5397 is at 0.524180 -3.667509 2.521034 ESP Fit Center 5398 is at 0.011939 0.023336 2.147598 ESP Fit Center 5399 is at -0.369183 -0.146350 2.147598 ESP Fit Center 5400 is at -0.369183 -3.602796 2.147598 ESP Fit Center 5401 is at 0.011939 -3.772482 2.147598 ESP Fit Center 5402 is at 0.420012 -3.859221 2.147598 ESP Fit Center 5403 is at 0.215309 -3.952363 1.742397 ESP Fit Center 5404 is at 2.659423 -3.760665 2.415235 ESP Fit Center 5405 is at 1.547929 -4.160569 2.146612 ESP Fit Center 5406 is at 1.955178 -4.245197 2.146612 ESP Fit Center 5407 is at 2.370156 -4.216811 2.146612 ESP Fit Center 5408 is at 2.762088 -4.077519 2.146612 ESP Fit Center 5409 is at 3.101906 -3.837649 2.146612 ESP Fit Center 5410 is at 1.161420 -4.276766 1.819293 ESP Fit Center 5411 is at 1.544316 -4.441931 1.819293 ESP Fit Center 5412 is at 1.954981 -4.514342 1.819293 ESP Fit Center 5413 is at 2.371275 -4.490096 1.819293 ESP Fit Center 5414 is at 2.770757 -4.370499 1.819293 ESP Fit Center 5415 is at 3.131889 -4.161999 1.819293 ESP Fit Center 5416 is at 3.435204 -3.875837 1.819293 ESP Fit Center 5417 is at 1.061618 -4.449629 1.445857 ESP Fit Center 5418 is at 1.442740 -4.619316 1.445857 ESP Fit Center 5419 is at 1.850813 -4.706054 1.445857 ESP Fit Center 5420 is at 2.268003 -4.706054 1.445857 ESP Fit Center 5421 is at 2.676076 -4.619316 1.445857 ESP Fit Center 5422 is at 3.057198 -4.449629 1.445857 ESP Fit Center 5423 is at 3.394711 -4.204411 1.445857 ESP Fit Center 5424 is at 3.673866 -3.894379 1.445857 ESP Fit Center 5425 is at 0.882434 -4.482872 1.040656 ESP Fit Center 5426 is at 1.248694 -4.678642 1.040656 ESP Fit Center 5427 is at 1.646110 -4.799196 1.040656 ESP Fit Center 5428 is at 2.059408 -4.839903 1.040656 ESP Fit Center 5429 is at 2.472706 -4.799196 1.040656 ESP Fit Center 5430 is at 2.870121 -4.678642 1.040656 ESP Fit Center 5431 is at 3.236381 -4.482872 1.040656 ESP Fit Center 5432 is at 3.557411 -4.219410 1.040656 ESP Fit Center 5433 is at 0.979408 -4.592021 0.619261 ESP Fit Center 5434 is at 1.352941 -4.762608 0.619261 ESP Fit Center 5435 is at 1.752008 -4.859421 0.619261 ESP Fit Center 5436 is at 2.162185 -4.878960 0.619261 ESP Fit Center 5437 is at 2.568647 -4.820520 0.619261 ESP Fit Center 5438 is at 2.956704 -4.686212 0.619261 ESP Fit Center 5439 is at 3.312331 -4.480891 0.619261 ESP Fit Center 5440 is at 3.622673 -4.211977 0.619261 ESP Fit Center 5441 is at 1.248694 -4.678642 0.197866 ESP Fit Center 5442 is at 1.646110 -4.799196 0.197866 ESP Fit Center 5443 is at 2.059408 -4.839903 0.197866 ESP Fit Center 5444 is at 2.472706 -4.799196 0.197866 ESP Fit Center 5445 is at 2.870121 -4.678642 0.197866 ESP Fit Center 5446 is at 3.236381 -4.482872 0.197866 ESP Fit Center 5447 is at 3.557411 -4.219410 0.197866 ESP Fit Center 5448 is at 3.820873 -3.898380 0.197866 ESP Fit Center 5449 is at 1.442740 -4.619316 -0.207335 ESP Fit Center 5450 is at 1.850813 -4.706054 -0.207335 ESP Fit Center 5451 is at 2.268003 -4.706054 -0.207335 ESP Fit Center 5452 is at 2.676076 -4.619316 -0.207335 ESP Fit Center 5453 is at 3.057198 -4.449629 -0.207335 ESP Fit Center 5454 is at 3.394711 -4.204411 -0.207335 ESP Fit Center 5455 is at 3.673866 -3.894379 -0.207335 ESP Fit Center 5456 is at 1.544316 -4.441931 -0.580771 ESP Fit Center 5457 is at 1.954981 -4.514342 -0.580771 ESP Fit Center 5458 is at 2.371275 -4.490096 -0.580771 ESP Fit Center 5459 is at 2.770757 -4.370499 -0.580771 ESP Fit Center 5460 is at 3.131889 -4.161999 -0.580771 ESP Fit Center 5461 is at 3.435204 -3.875837 -0.580771 ESP Fit Center 5462 is at 3.664349 -3.527438 -0.580771 ESP Fit Center 5463 is at 1.547929 -4.160569 -0.908090 ESP Fit Center 5464 is at 1.955178 -4.245197 -0.908090 ESP Fit Center 5465 is at 2.370156 -4.216811 -0.908090 ESP Fit Center 5466 is at 2.762088 -4.077519 -0.908090 ESP Fit Center 5467 is at 3.101906 -3.837649 -0.908090 ESP Fit Center 5468 is at 3.364406 -3.514993 -0.908090 ESP Fit Center 5469 is at 1.851024 -3.903207 -1.176713 ESP Fit Center 5470 is at 2.267791 -3.903207 -1.176713 ESP Fit Center 5471 is at 2.659423 -3.760665 -1.176713 ESP Fit Center 5472 is at 2.978685 -3.492772 -1.176713 ESP Fit Center 5473 is at 3.187069 -3.131842 -1.176713 ESP Fit Center 5474 is at 1.646110 -3.437260 -1.376319 ESP Fit Center 5475 is at 2.059408 -3.548003 -1.376319 ESP Fit Center 5476 is at 2.472706 -3.437260 -1.376319 ESP Fit Center 5477 is at 2.775261 -3.134705 -1.376319 ESP Fit Center 5478 is at 2.405400 0.318599 4.225168 ESP Fit Center 5479 is at 1.984005 0.318599 4.225168 ESP Fit Center 5480 is at 2.608000 0.669514 4.102252 ESP Fit Center 5481 is at 2.194702 0.780257 4.102252 ESP Fit Center 5482 is at 1.781404 0.669514 4.102252 ESP Fit Center 5483 is at 1.478849 0.366959 4.102252 ESP Fit Center 5484 is at 1.368106 -0.046339 4.102252 ESP Fit Center 5485 is at 3.113980 0.725026 3.902647 ESP Fit Center 5486 is at 2.794718 0.992918 3.902647 ESP Fit Center 5487 is at 2.403086 1.135461 3.902647 ESP Fit Center 5488 is at 1.986319 1.135461 3.902647 ESP Fit Center 5489 is at 1.594686 0.992918 3.902647 ESP Fit Center 5490 is at 1.275425 0.725026 3.902647 ESP Fit Center 5491 is at 1.067041 0.364096 3.902647 ESP Fit Center 5492 is at 0.994671 -0.046339 3.902647 ESP Fit Center 5493 is at 3.237200 1.069903 3.634023 ESP Fit Center 5494 is at 2.897383 1.309773 3.634023 ESP Fit Center 5495 is at 2.505451 1.449065 3.634023 ESP Fit Center 5496 is at 2.090472 1.477451 3.634023 ESP Fit Center 5497 is at 1.683224 1.392823 3.634023 ESP Fit Center 5498 is at 1.313909 1.201460 3.634023 ESP Fit Center 5499 is at 1.009919 0.917553 3.634023 ESP Fit Center 5500 is at 0.793799 0.562159 3.634023 ESP Fit Center 5501 is at 0.681577 0.161635 3.634023 ESP Fit Center 5502 is at 0.681577 -0.254314 3.634023 ESP Fit Center 5503 is at 3.570498 1.108091 3.306704 ESP Fit Center 5504 is at 3.267184 1.394253 3.306704 ESP Fit Center 5505 is at 2.906051 1.602753 3.306704 ESP Fit Center 5506 is at 2.506570 1.722350 3.306704 ESP Fit Center 5507 is at 2.090276 1.746596 3.306704 ESP Fit Center 5508 is at 0.962230 1.260005 3.306704 ESP Fit Center 5509 is at 0.694188 0.940565 3.306704 ESP Fit Center 5510 is at 0.507038 0.567920 3.306704 ESP Fit Center 5511 is at 0.410872 0.162160 3.306704 ESP Fit Center 5512 is at 0.410872 -0.254839 3.306704 ESP Fit Center 5513 is at 3.530006 1.436665 2.933268 ESP Fit Center 5514 is at 3.192492 1.681883 2.933268 ESP Fit Center 5515 is at 2.811370 1.851570 2.933268 ESP Fit Center 5516 is at 0.371649 0.765336 2.933268 ESP Fit Center 5517 is at 0.242731 0.368565 2.933268 ESP Fit Center 5518 is at 0.199123 -0.046339 2.933268 ESP Fit Center 5519 is at 3.692705 1.451664 2.528067 ESP Fit Center 5520 is at 3.371676 1.715126 2.528067 ESP Fit Center 5521 is at 0.116912 0.366959 2.528067 ESP Fit Center 5522 is at 0.076206 -0.046339 2.528067 ESP Fit Center 5523 is at 3.447625 1.713145 2.106672 ESP Fit Center 5524 is at 0.044483 0.158982 2.106672 ESP Fit Center 5525 is at 2.851948 -1.586295 4.936506 ESP Fit Center 5526 is at 3.273343 -1.586295 4.895003 ESP Fit Center 5527 is at 3.062645 -1.221356 4.895003 ESP Fit Center 5528 is at 2.641250 -1.221356 4.895003 ESP Fit Center 5529 is at 2.430553 -1.586295 4.895003 ESP Fit Center 5530 is at 2.641250 -1.951234 4.895003 ESP Fit Center 5531 is at 3.062645 -1.951234 4.895003 ESP Fit Center 5532 is at 3.678544 -1.586295 4.772086 ESP Fit Center 5533 is at 3.567801 -1.172997 4.772086 ESP Fit Center 5534 is at 3.265246 -0.870442 4.772086 ESP Fit Center 5535 is at 2.851948 -0.759699 4.772086 ESP Fit Center 5536 is at 2.438650 -0.870442 4.772086 ESP Fit Center 5537 is at 2.136094 -1.172997 4.772086 ESP Fit Center 5538 is at 2.025352 -1.586295 4.772086 ESP Fit Center 5539 is at 2.136094 -1.999593 4.772086 ESP Fit Center 5540 is at 2.438650 -2.302148 4.772086 ESP Fit Center 5541 is at 2.851948 -2.412891 4.772086 ESP Fit Center 5542 is at 3.265246 -2.302148 4.772086 ESP Fit Center 5543 is at 3.567801 -1.999593 4.772086 ESP Fit Center 5544 is at 4.051979 -1.586295 4.572481 ESP Fit Center 5545 is at 3.979609 -1.175860 4.572481 ESP Fit Center 5546 is at 3.771225 -0.814930 4.572481 ESP Fit Center 5547 is at 3.451964 -0.547037 4.572481 ESP Fit Center 5548 is at 3.060331 -0.404495 4.572481 ESP Fit Center 5549 is at 2.643564 -0.404495 4.572481 ESP Fit Center 5550 is at 2.251932 -0.547037 4.572481 ESP Fit Center 5551 is at 1.932670 -0.814930 4.572481 ESP Fit Center 5552 is at 1.724287 -1.175860 4.572481 ESP Fit Center 5553 is at 1.651916 -1.586295 4.572481 ESP Fit Center 5554 is at 1.724287 -1.996730 4.572481 ESP Fit Center 5555 is at 1.932670 -2.357661 4.572481 ESP Fit Center 5556 is at 2.251932 -2.625553 4.572481 ESP Fit Center 5557 is at 2.643564 -2.768096 4.572481 ESP Fit Center 5558 is at 3.060331 -2.768096 4.572481 ESP Fit Center 5559 is at 3.451964 -2.625553 4.572481 ESP Fit Center 5560 is at 3.771225 -2.357661 4.572481 ESP Fit Center 5561 is at 3.979609 -1.996730 4.572481 ESP Fit Center 5562 is at 4.379298 -1.586295 4.303857 ESP Fit Center 5563 is at 4.322660 -1.174221 4.303857 ESP Fit Center 5564 is at 4.156946 -0.792708 4.303857 ESP Fit Center 5565 is at 3.894446 -0.470052 4.303857 ESP Fit Center 5566 is at 3.554628 -0.230183 4.303857 ESP Fit Center 5567 is at 1.451045 -0.977797 4.303857 ESP Fit Center 5568 is at 1.338823 -1.378321 4.303857 ESP Fit Center 5569 is at 1.338823 -1.794269 4.303857 ESP Fit Center 5570 is at 1.451045 -2.194793 4.303857 ESP Fit Center 5571 is at 1.667165 -2.550188 4.303857 ESP Fit Center 5572 is at 1.971155 -2.834095 4.303857 ESP Fit Center 5573 is at 2.340469 -3.025458 4.303857 ESP Fit Center 5574 is at 2.747718 -3.110085 4.303857 ESP Fit Center 5575 is at 3.162696 -3.081700 4.303857 ESP Fit Center 5576 is at 3.554628 -2.942407 4.303857 ESP Fit Center 5577 is at 3.894446 -2.702538 4.303857 ESP Fit Center 5578 is at 4.156946 -2.379882 4.303857 ESP Fit Center 5579 is at 4.322660 -1.998369 4.303857 ESP Fit Center 5580 is at 4.647922 -1.586295 3.976538 ESP Fit Center 5581 is at 4.599511 -1.172115 3.976538 ESP Fit Center 5582 is at 4.456889 -0.780263 3.976538 ESP Fit Center 5583 is at 4.227744 -0.431865 3.976538 ESP Fit Center 5584 is at 1.068117 -1.794795 3.976538 ESP Fit Center 5585 is at 1.164284 -2.200555 3.976538 ESP Fit Center 5586 is at 1.351433 -2.573199 3.976538 ESP Fit Center 5587 is at 1.619475 -2.892640 3.976538 ESP Fit Center 5588 is at 1.953961 -3.141655 3.976538 ESP Fit Center 5589 is at 2.336857 -3.306820 3.976538 ESP Fit Center 5590 is at 2.747521 -3.379231 3.976538 ESP Fit Center 5591 is at 3.163815 -3.354985 3.976538 ESP Fit Center 5592 is at 3.563297 -3.235388 3.976538 ESP Fit Center 5593 is at 3.924429 -3.026888 3.976538 ESP Fit Center 5594 is at 4.227744 -2.740725 3.976538 ESP Fit Center 5595 is at 4.456889 -2.392327 3.976538 ESP Fit Center 5596 is at 4.599511 -2.000475 3.976538 ESP Fit Center 5597 is at 4.847528 -1.586295 3.603103 ESP Fit Center 5598 is at 4.803919 -1.171391 3.603103 ESP Fit Center 5599 is at 4.675001 -0.774620 3.603103 ESP Fit Center 5600 is at 1.028895 -2.397971 3.603103 ESP Fit Center 5601 is at 1.237490 -2.759268 3.603103 ESP Fit Center 5602 is at 1.516644 -3.069300 3.603103 ESP Fit Center 5603 is at 1.854158 -3.314518 3.603103 ESP Fit Center 5604 is at 2.235280 -3.484204 3.603103 ESP Fit Center 5605 is at 2.643353 -3.570943 3.603103 ESP Fit Center 5606 is at 3.060543 -3.570943 3.603103 ESP Fit Center 5607 is at 3.468616 -3.484204 3.603103 ESP Fit Center 5608 is at 3.849738 -3.314518 3.603103 ESP Fit Center 5609 is at 4.187251 -3.069300 3.603103 ESP Fit Center 5610 is at 4.466406 -2.759268 3.603103 ESP Fit Center 5611 is at 4.675001 -2.397971 3.603103 ESP Fit Center 5612 is at 4.803919 -2.001200 3.603103 ESP Fit Center 5613 is at 1.674974 -3.347760 3.197902 ESP Fit Center 5614 is at 2.041234 -3.543530 3.197902 ESP Fit Center 5615 is at 2.438650 -3.664085 3.197902 ESP Fit Center 5616 is at 2.851948 -3.704791 3.197902 ESP Fit Center 5617 is at 3.265246 -3.664085 3.197902 ESP Fit Center 5618 is at 3.662661 -3.543530 3.197902 ESP Fit Center 5619 is at 4.028921 -3.347760 3.197902 ESP Fit Center 5620 is at 4.349951 -3.084298 3.197902 ESP Fit Center 5621 is at 4.613413 -2.763269 3.197902 ESP Fit Center 5622 is at 4.809183 -2.397009 3.197902 ESP Fit Center 5623 is at 4.929738 -1.999593 3.197902 ESP Fit Center 5624 is at 2.544548 -3.724309 2.776506 ESP Fit Center 5625 is at 2.954725 -3.743849 2.776506 ESP Fit Center 5626 is at 3.361187 -3.685408 2.776506 ESP Fit Center 5627 is at 3.749244 -3.551100 2.776506 ESP Fit Center 5628 is at 4.104871 -3.345779 2.776506 ESP Fit Center 5629 is at 4.415213 -3.076866 2.776506 ESP Fit Center 5630 is at 4.669055 -2.754079 2.776506 ESP Fit Center 5631 is at 3.265246 -3.664085 2.355111 ESP Fit Center 5632 is at 3.662661 -3.543530 2.355111 ESP Fit Center 5633 is at 4.028921 -3.347760 2.355111 ESP Fit Center 5634 is at 5.029448 -0.182553 3.418615 ESP Fit Center 5635 is at 4.818750 0.182385 3.418615 ESP Fit Center 5636 is at 4.818750 -0.547492 3.418615 ESP Fit Center 5637 is at 5.434649 -0.182553 3.295699 ESP Fit Center 5638 is at 5.323906 0.230745 3.295699 ESP Fit Center 5639 is at 5.021351 0.533300 3.295699 ESP Fit Center 5640 is at 4.608052 0.644043 3.295699 ESP Fit Center 5641 is at 5.323906 -0.595851 3.295699 ESP Fit Center 5642 is at 5.808084 -0.182553 3.096094 ESP Fit Center 5643 is at 5.735713 0.227882 3.096094 ESP Fit Center 5644 is at 5.527330 0.588812 3.096094 ESP Fit Center 5645 is at 5.208068 0.856705 3.096094 ESP Fit Center 5646 is at 4.816436 0.999247 3.096094 ESP Fit Center 5647 is at 4.399669 0.999247 3.096094 ESP Fit Center 5648 is at 5.527330 -0.953919 3.096094 ESP Fit Center 5649 is at 5.735713 -0.592988 3.096094 ESP Fit Center 5650 is at 6.135403 -0.182553 2.827470 ESP Fit Center 5651 is at 6.078765 0.229521 2.827470 ESP Fit Center 5652 is at 5.913050 0.611034 2.827470 ESP Fit Center 5653 is at 5.650550 0.933689 2.827470 ESP Fit Center 5654 is at 5.310733 1.173559 2.827470 ESP Fit Center 5655 is at 4.918801 1.312851 2.827470 ESP Fit Center 5656 is at 4.503822 1.341237 2.827470 ESP Fit Center 5657 is at 4.096574 1.256609 2.827470 ESP Fit Center 5658 is at 5.913050 -0.976140 2.827470 ESP Fit Center 5659 is at 6.078765 -0.594628 2.827470 ESP Fit Center 5660 is at 6.404027 -0.182553 2.500151 ESP Fit Center 5661 is at 6.355616 0.231627 2.500151 ESP Fit Center 5662 is at 6.212994 0.623478 2.500151 ESP Fit Center 5663 is at 5.983849 0.971877 2.500151 ESP Fit Center 5664 is at 5.680534 1.258039 2.500151 ESP Fit Center 5665 is at 5.319402 1.466539 2.500151 ESP Fit Center 5666 is at 4.919920 1.586136 2.500151 ESP Fit Center 5667 is at 4.503626 1.610382 2.500151 ESP Fit Center 5668 is at 4.092961 1.537971 2.500151 ESP Fit Center 5669 is at 5.983849 -1.336983 2.500151 ESP Fit Center 5670 is at 6.212994 -0.988585 2.500151 ESP Fit Center 5671 is at 6.355616 -0.596734 2.500151 ESP Fit Center 5672 is at 6.603632 -0.182553 2.126715 ESP Fit Center 5673 is at 6.560024 0.232351 2.126715 ESP Fit Center 5674 is at 6.431105 0.629122 2.126715 ESP Fit Center 5675 is at 6.222510 0.990419 2.126715 ESP Fit Center 5676 is at 5.943356 1.300451 2.126715 ESP Fit Center 5677 is at 5.605842 1.545669 2.126715 ESP Fit Center 5678 is at 5.224721 1.715356 2.126715 ESP Fit Center 5679 is at 4.816647 1.802094 2.126715 ESP Fit Center 5680 is at 4.399458 1.802094 2.126715 ESP Fit Center 5681 is at 3.991384 1.715356 2.126715 ESP Fit Center 5682 is at 6.222510 -1.355526 2.126715 ESP Fit Center 5683 is at 6.431105 -0.994229 2.126715 ESP Fit Center 5684 is at 6.560024 -0.597458 2.126715 ESP Fit Center 5685 is at 6.726549 -0.182553 1.721514 ESP Fit Center 5686 is at 6.685842 0.230745 1.721514 ESP Fit Center 5687 is at 6.565288 0.628160 1.721514 ESP Fit Center 5688 is at 6.369518 0.994420 1.721514 ESP Fit Center 5689 is at 6.106055 1.315450 1.721514 ESP Fit Center 5690 is at 5.785026 1.578912 1.721514 ESP Fit Center 5691 is at 5.418766 1.774682 1.721514 ESP Fit Center 5692 is at 5.021351 1.895237 1.721514 ESP Fit Center 5693 is at 4.608052 1.935943 1.721514 ESP Fit Center 5694 is at 4.194754 1.895237 1.721514 ESP Fit Center 5695 is at 3.797339 1.774682 1.721514 ESP Fit Center 5696 is at 6.369518 -1.359527 1.721514 ESP Fit Center 5697 is at 6.565288 -0.993267 1.721514 ESP Fit Center 5698 is at 6.685842 -0.595851 1.721514 ESP Fit Center 5699 is at 6.768052 -0.182553 1.300119 ESP Fit Center 5700 is at 6.729018 0.226229 1.300119 ESP Fit Center 5701 is at 6.613327 0.620238 1.300119 ESP Fit Center 5702 is at 6.425160 0.985231 1.300119 ESP Fit Center 5703 is at 6.171318 1.308017 1.300119 ESP Fit Center 5704 is at 5.860975 1.576931 1.300119 ESP Fit Center 5705 is at 5.505349 1.782252 1.300119 ESP Fit Center 5706 is at 5.117292 1.916560 1.300119 ESP Fit Center 5707 is at 4.710829 1.975000 1.300119 ESP Fit Center 5708 is at 4.300652 1.955461 1.300119 ESP Fit Center 5709 is at 3.901586 1.858648 1.300119 ESP Fit Center 5710 is at 6.613327 -0.985344 1.300119 ESP Fit Center 5711 is at 6.729018 -0.591336 1.300119 ESP Fit Center 5712 is at 6.726549 -0.182553 0.878724 ESP Fit Center 5713 is at 6.685842 0.230745 0.878724 ESP Fit Center 5714 is at 6.565288 0.628160 0.878724 ESP Fit Center 5715 is at 6.369518 0.994420 0.878724 ESP Fit Center 5716 is at 6.106055 1.315450 0.878724 ESP Fit Center 5717 is at 5.785026 1.578912 0.878724 ESP Fit Center 5718 is at 5.418766 1.774682 0.878724 ESP Fit Center 5719 is at 5.021351 1.895237 0.878724 ESP Fit Center 5720 is at 6.565288 -0.993267 0.878724 ESP Fit Center 5721 is at 6.685842 -0.595851 0.878724 ESP Fit Center 5722 is at 6.603632 -0.182553 0.473523 ESP Fit Center 5723 is at 6.560024 0.232351 0.473523 ESP Fit Center 5724 is at 6.431105 0.629122 0.473523 ESP Fit Center 5725 is at 6.222510 0.990419 0.473523 ESP Fit Center 5726 is at 5.943356 1.300451 0.473523 ESP Fit Center 5727 is at 5.605842 1.545669 0.473523 ESP Fit Center 5728 is at 6.560024 -0.597458 0.473523 ESP Fit Center 5729 is at 6.404027 -0.182553 0.100087 ESP Fit Center 5730 is at 6.355616 0.231627 0.100087 ESP Fit Center 5731 is at 6.212994 0.623478 0.100087 ESP Fit Center 5732 is at 5.983849 0.971877 0.100087 ESP Fit Center 5733 is at 6.078765 0.229521 -0.227231 ESP Fit Center 5734 is at 4.803022 -2.854346 2.433215 ESP Fit Center 5735 is at 4.098776 -3.338878 2.164592 ESP Fit Center 5736 is at 4.513754 -3.310493 2.164592 ESP Fit Center 5737 is at 4.905686 -3.171200 2.164592 ESP Fit Center 5738 is at 5.245504 -2.931331 2.164592 ESP Fit Center 5739 is at 5.508004 -2.608675 2.164592 ESP Fit Center 5740 is at 3.687915 -3.535613 1.837273 ESP Fit Center 5741 is at 4.098579 -3.608024 1.837273 ESP Fit Center 5742 is at 4.514873 -3.583778 1.837273 ESP Fit Center 5743 is at 4.914355 -3.464181 1.837273 ESP Fit Center 5744 is at 5.275487 -3.255681 1.837273 ESP Fit Center 5745 is at 5.578802 -2.969518 1.837273 ESP Fit Center 5746 is at 5.807947 -2.621120 1.837273 ESP Fit Center 5747 is at 5.950569 -2.229269 1.837273 ESP Fit Center 5748 is at 3.994411 -3.799736 1.463837 ESP Fit Center 5749 is at 4.411601 -3.799736 1.463837 ESP Fit Center 5750 is at 4.819674 -3.712998 1.463837 ESP Fit Center 5751 is at 5.200796 -3.543311 1.463837 ESP Fit Center 5752 is at 5.538309 -3.298093 1.463837 ESP Fit Center 5753 is at 5.817464 -2.988061 1.463837 ESP Fit Center 5754 is at 6.026059 -2.626764 1.463837 ESP Fit Center 5755 is at 6.154977 -2.229993 1.463837 ESP Fit Center 5756 is at 6.321502 -1.815088 1.058636 ESP Fit Center 5757 is at 4.203006 -3.933585 1.058636 ESP Fit Center 5758 is at 4.616304 -3.892878 1.058636 ESP Fit Center 5759 is at 5.013719 -3.772324 1.058636 ESP Fit Center 5760 is at 5.379979 -3.576554 1.058636 ESP Fit Center 5761 is at 5.701009 -3.313091 1.058636 ESP Fit Center 5762 is at 5.964471 -2.992062 1.058636 ESP Fit Center 5763 is at 6.160241 -2.625802 1.058636 ESP Fit Center 5764 is at 6.280796 -2.228387 1.058636 ESP Fit Center 5765 is at 6.363006 -1.815088 0.637241 ESP Fit Center 5766 is at 3.895606 -3.953103 0.637241 ESP Fit Center 5767 is at 4.305783 -3.972642 0.637241 ESP Fit Center 5768 is at 4.712245 -3.914201 0.637241 ESP Fit Center 5769 is at 5.100302 -3.779894 0.637241 ESP Fit Center 5770 is at 5.455929 -3.574572 0.637241 ESP Fit Center 5771 is at 5.766271 -3.305659 0.637241 ESP Fit Center 5772 is at 6.020113 -2.982873 0.637241 ESP Fit Center 5773 is at 6.208281 -2.617879 0.637241 ESP Fit Center 5774 is at 6.323972 -2.223871 0.637241 ESP Fit Center 5775 is at 6.321502 -1.815088 0.215846 ESP Fit Center 5776 is at 4.203006 -3.933585 0.215846 ESP Fit Center 5777 is at 4.616304 -3.892878 0.215846 ESP Fit Center 5778 is at 5.013719 -3.772324 0.215846 ESP Fit Center 5779 is at 5.379979 -3.576554 0.215846 ESP Fit Center 5780 is at 5.701009 -3.313091 0.215846 ESP Fit Center 5781 is at 5.964471 -2.992062 0.215846 ESP Fit Center 5782 is at 6.160241 -2.625802 0.215846 ESP Fit Center 5783 is at 6.280796 -2.228387 0.215846 ESP Fit Center 5784 is at 6.198586 -1.815088 -0.189355 ESP Fit Center 5785 is at 3.994411 -3.799736 -0.189355 ESP Fit Center 5786 is at 4.411601 -3.799736 -0.189355 ESP Fit Center 5787 is at 4.819674 -3.712998 -0.189355 ESP Fit Center 5788 is at 5.200796 -3.543311 -0.189355 ESP Fit Center 5789 is at 5.538309 -3.298093 -0.189355 ESP Fit Center 5790 is at 5.817464 -2.988061 -0.189355 ESP Fit Center 5791 is at 6.026059 -2.626764 -0.189355 ESP Fit Center 5792 is at 6.154977 -2.229993 -0.189355 ESP Fit Center 5793 is at 5.998980 -1.815088 -0.562791 ESP Fit Center 5794 is at 3.687915 -3.535613 -0.562791 ESP Fit Center 5795 is at 4.098579 -3.608024 -0.562791 ESP Fit Center 5796 is at 4.514873 -3.583778 -0.562791 ESP Fit Center 5797 is at 4.914355 -3.464181 -0.562791 ESP Fit Center 5798 is at 5.275487 -3.255681 -0.562791 ESP Fit Center 5799 is at 5.578802 -2.969518 -0.562791 ESP Fit Center 5800 is at 5.807947 -2.621120 -0.562791 ESP Fit Center 5801 is at 5.950569 -2.229269 -0.562791 ESP Fit Center 5802 is at 5.730356 -1.815088 -0.890110 ESP Fit Center 5803 is at 3.691527 -3.254251 -0.890110 ESP Fit Center 5804 is at 4.098776 -3.338878 -0.890110 ESP Fit Center 5805 is at 4.513754 -3.310493 -0.890110 ESP Fit Center 5806 is at 4.905686 -3.171200 -0.890110 ESP Fit Center 5807 is at 5.245504 -2.931331 -0.890110 ESP Fit Center 5808 is at 5.508004 -2.608675 -0.890110 ESP Fit Center 5809 is at 5.673718 -2.227163 -0.890110 ESP Fit Center 5810 is at 5.403037 -1.815088 -1.158733 ESP Fit Center 5811 is at 3.602990 -2.854346 -1.158733 ESP Fit Center 5812 is at 3.994622 -2.996889 -1.158733 ESP Fit Center 5813 is at 4.411389 -2.996889 -1.158733 ESP Fit Center 5814 is at 4.803022 -2.854346 -1.158733 ESP Fit Center 5815 is at 5.122283 -2.586454 -1.158733 ESP Fit Center 5816 is at 5.330667 -2.225523 -1.158733 ESP Fit Center 5817 is at 5.029602 -1.815088 -1.358339 ESP Fit Center 5818 is at 4.203006 -2.641685 -1.358339 ESP Fit Center 5819 is at 4.616304 -2.530942 -1.358339 ESP Fit Center 5820 is at 4.918859 -2.228387 -1.358339 ESP Fit Center 5821 is at 4.276075 1.950079 1.125813 ESP Fit Center 5822 is at 3.893315 2.108623 1.125813 ESP Fit Center 5823 is at 4.672924 2.068342 0.850655 ESP Fit Center 5824 is at 4.310930 2.295798 0.850655 ESP Fit Center 5825 is at 3.907399 2.437000 0.850655 ESP Fit Center 5826 is at 5.320153 1.756625 0.528487 ESP Fit Center 5827 is at 5.063450 2.083050 0.528487 ESP Fit Center 5828 is at 4.749609 2.354994 0.528487 ESP Fit Center 5829 is at 4.389975 2.562630 0.528487 ESP Fit Center 5830 is at 3.997543 2.698451 0.528487 ESP Fit Center 5831 is at 5.743200 1.398483 0.167241 ESP Fit Center 5832 is at 5.565977 1.778538 0.167241 ESP Fit Center 5833 is at 5.325451 2.122044 0.167241 ESP Fit Center 5834 is at 5.028930 2.418565 0.167241 ESP Fit Center 5835 is at 4.685423 2.659091 0.167241 ESP Fit Center 5836 is at 4.305368 2.836314 0.167241 ESP Fit Center 5837 is at 3.900313 2.944848 0.167241 ESP Fit Center 5838 is at 6.050417 0.575679 -0.224187 ESP Fit Center 5839 is at 6.015395 0.998333 -0.224187 ESP Fit Center 5840 is at 5.911284 1.409459 -0.224187 ESP Fit Center 5841 is at 5.740923 1.797842 -0.224187 ESP Fit Center 5842 is at 5.508961 2.152887 -0.224187 ESP Fit Center 5843 is at 5.221724 2.464909 -0.224187 ESP Fit Center 5844 is at 4.887047 2.725399 -0.224187 ESP Fit Center 5845 is at 4.514059 2.927250 -0.224187 ESP Fit Center 5846 is at 4.112935 3.064956 -0.224187 ESP Fit Center 5847 is at 3.694616 3.134761 -0.224187 ESP Fit Center 5848 is at 6.149323 0.575679 -0.636160 ESP Fit Center 5849 is at 6.116491 0.992852 -0.636160 ESP Fit Center 5850 is at 6.018803 1.399753 -0.636160 ESP Fit Center 5851 is at 5.858664 1.786362 -0.636160 ESP Fit Center 5852 is at 5.640017 2.143160 -0.636160 ESP Fit Center 5853 is at 5.368247 2.461362 -0.636160 ESP Fit Center 5854 is at 5.050046 2.733132 -0.636160 ESP Fit Center 5855 is at 4.693247 2.951778 -0.636160 ESP Fit Center 5856 is at 4.306638 3.111917 -0.636160 ESP Fit Center 5857 is at 3.899737 3.209605 -0.636160 ESP Fit Center 5858 is at 3.482564 3.242437 -0.636160 ESP Fit Center 5859 is at 6.018803 -0.248395 -0.636160 ESP Fit Center 5860 is at 6.116491 0.158506 -0.636160 ESP Fit Center 5861 is at 6.182564 0.575679 -1.058533 ESP Fit Center 5862 is at 6.150922 0.987832 -1.058533 ESP Fit Center 5863 is at 6.056735 1.390324 -1.058533 ESP Fit Center 5864 is at 5.902211 1.773722 -1.058533 ESP Fit Center 5865 is at 5.690974 2.129039 -1.058533 ESP Fit Center 5866 is at 5.427973 2.447947 -1.058533 ESP Fit Center 5867 is at 5.119373 2.722970 -1.058533 ESP Fit Center 5868 is at 4.772408 2.947662 -1.058533 ESP Fit Center 5869 is at 4.395210 3.116757 -1.058533 ESP Fit Center 5870 is at 3.996620 3.226291 -1.058533 ESP Fit Center 5871 is at 3.585982 3.273698 -1.058533 ESP Fit Center 5872 is at 5.690974 -0.977682 -1.058533 ESP Fit Center 5873 is at 5.902211 -0.622365 -1.058533 ESP Fit Center 5874 is at 6.056735 -0.238967 -1.058533 ESP Fit Center 5875 is at 6.150922 0.163526 -1.058533 ESP Fit Center 5876 is at 6.149323 0.575679 -1.480906 ESP Fit Center 5877 is at 6.116491 0.992852 -1.480906 ESP Fit Center 5878 is at 6.018803 1.399753 -1.480906 ESP Fit Center 5879 is at 5.858664 1.786362 -1.480906 ESP Fit Center 5880 is at 5.640017 2.143160 -1.480906 ESP Fit Center 5881 is at 5.368247 2.461362 -1.480906 ESP Fit Center 5882 is at 5.050046 2.733132 -1.480906 ESP Fit Center 5883 is at 4.693247 2.951778 -1.480906 ESP Fit Center 5884 is at 4.306638 3.111917 -1.480906 ESP Fit Center 5885 is at 3.899737 3.209605 -1.480906 ESP Fit Center 5886 is at 5.050046 -1.581774 -1.480906 ESP Fit Center 5887 is at 5.368247 -1.310004 -1.480906 ESP Fit Center 5888 is at 5.640017 -0.991803 -1.480906 ESP Fit Center 5889 is at 5.858664 -0.635004 -1.480906 ESP Fit Center 5890 is at 6.018803 -0.248395 -1.480906 ESP Fit Center 5891 is at 6.116491 0.158506 -1.480906 ESP Fit Center 5892 is at 6.050417 0.575679 -1.892879 ESP Fit Center 5893 is at 6.015395 0.998333 -1.892879 ESP Fit Center 5894 is at 5.911284 1.409459 -1.892879 ESP Fit Center 5895 is at 5.740923 1.797842 -1.892879 ESP Fit Center 5896 is at 5.508961 2.152887 -1.892879 ESP Fit Center 5897 is at 5.221724 2.464909 -1.892879 ESP Fit Center 5898 is at 4.887047 2.725399 -1.892879 ESP Fit Center 5899 is at 4.514059 2.927250 -1.892879 ESP Fit Center 5900 is at 4.112935 3.064956 -1.892879 ESP Fit Center 5901 is at 3.694616 3.134761 -1.892879 ESP Fit Center 5902 is at 4.887047 -1.574041 -1.892879 ESP Fit Center 5903 is at 5.221724 -1.313552 -1.892879 ESP Fit Center 5904 is at 5.508961 -1.001529 -1.892879 ESP Fit Center 5905 is at 5.740923 -0.646484 -1.892879 ESP Fit Center 5906 is at 5.911284 -0.258102 -1.892879 ESP Fit Center 5907 is at 6.015395 0.153024 -1.892879 ESP Fit Center 5908 is at 5.888282 0.575679 -2.284308 ESP Fit Center 5909 is at 5.851734 0.993427 -2.284308 ESP Fit Center 5910 is at 5.743200 1.398483 -2.284308 ESP Fit Center 5911 is at 5.565977 1.778538 -2.284308 ESP Fit Center 5912 is at 5.325451 2.122044 -2.284308 ESP Fit Center 5913 is at 5.028930 2.418565 -2.284308 ESP Fit Center 5914 is at 4.685423 2.659091 -2.284308 ESP Fit Center 5915 is at 4.305368 2.836314 -2.284308 ESP Fit Center 5916 is at 3.900313 2.944848 -2.284308 ESP Fit Center 5917 is at 3.900313 -1.793491 -2.284308 ESP Fit Center 5918 is at 4.305368 -1.684956 -2.284308 ESP Fit Center 5919 is at 4.685423 -1.507734 -2.284308 ESP Fit Center 5920 is at 5.028930 -1.267208 -2.284308 ESP Fit Center 5921 is at 5.325451 -0.970687 -2.284308 ESP Fit Center 5922 is at 5.565977 -0.627180 -2.284308 ESP Fit Center 5923 is at 5.743200 -0.247125 -2.284308 ESP Fit Center 5924 is at 5.851734 0.157930 -2.284308 ESP Fit Center 5925 is at 5.666910 0.575679 -2.645554 ESP Fit Center 5926 is at 5.627436 0.989069 -2.645554 ESP Fit Center 5927 is at 5.510441 1.387518 -2.645554 ESP Fit Center 5928 is at 5.320153 1.756625 -2.645554 ESP Fit Center 5929 is at 5.063450 2.083050 -2.645554 ESP Fit Center 5930 is at 4.749609 2.354994 -2.645554 ESP Fit Center 5931 is at 4.389975 2.562630 -2.645554 ESP Fit Center 5932 is at 3.997543 2.698451 -2.645554 ESP Fit Center 5933 is at 3.171700 -1.586434 -2.645554 ESP Fit Center 5934 is at 3.586500 -1.606193 -2.645554 ESP Fit Center 5935 is at 3.997543 -1.547094 -2.645554 ESP Fit Center 5936 is at 4.389975 -1.411272 -2.645554 ESP Fit Center 5937 is at 4.749609 -1.203637 -2.645554 ESP Fit Center 5938 is at 5.063450 -0.931692 -2.645554 ESP Fit Center 5939 is at 5.320153 -0.605268 -2.645554 ESP Fit Center 5940 is at 5.510441 -0.236161 -2.645554 ESP Fit Center 5941 is at 5.627436 0.162289 -2.645554 ESP Fit Center 5942 is at 5.391753 0.575679 -2.967722 ESP Fit Center 5943 is at 5.343885 1.000513 -2.967722 ESP Fit Center 5944 is at 5.202684 1.404045 -2.967722 ESP Fit Center 5945 is at 4.975228 1.766038 -2.967722 ESP Fit Center 5946 is at 4.672924 2.068342 -2.967722 ESP Fit Center 5947 is at 4.310930 2.295798 -2.967722 ESP Fit Center 5948 is at 3.057730 -1.285642 -2.967722 ESP Fit Center 5949 is at 3.482564 -1.333509 -2.967722 ESP Fit Center 5950 is at 3.907399 -1.285642 -2.967722 ESP Fit Center 5951 is at 4.310930 -1.144440 -2.967722 ESP Fit Center 5952 is at 4.672924 -0.916985 -2.967722 ESP Fit Center 5953 is at 4.975228 -0.614681 -2.967722 ESP Fit Center 5954 is at 5.202684 -0.252687 -2.967722 ESP Fit Center 5955 is at 5.343885 0.150844 -2.967722 ESP Fit Center 5956 is at 5.069585 0.575679 -3.242879 ESP Fit Center 5957 is at 5.015508 0.986430 -3.242879 ESP Fit Center 5958 is at 4.856964 1.369189 -3.242879 ESP Fit Center 5959 is at 4.604757 1.697872 -3.242879 ESP Fit Center 5960 is at 4.276075 1.950079 -3.242879 ESP Fit Center 5961 is at 2.689054 -0.798721 -3.242879 ESP Fit Center 5962 is at 3.071813 -0.957265 -3.242879 ESP Fit Center 5963 is at 3.482564 -1.011341 -3.242879 ESP Fit Center 5964 is at 3.893315 -0.957265 -3.242879 ESP Fit Center 5965 is at 4.276075 -0.798721 -3.242879 ESP Fit Center 5966 is at 4.604757 -0.546514 -3.242879 ESP Fit Center 5967 is at 4.856964 -0.217831 -3.242879 ESP Fit Center 5968 is at 5.015508 0.164928 -3.242879 ESP Fit Center 5969 is at 4.708339 0.575679 -3.464251 ESP Fit Center 5970 is at 4.634416 0.994918 -3.464251 ESP Fit Center 5971 is at 4.421562 1.363591 -3.464251 ESP Fit Center 5972 is at 4.095452 1.637231 -3.464251 ESP Fit Center 5973 is at 2.869677 -0.485873 -3.464251 ESP Fit Center 5974 is at 3.269711 -0.631473 -3.464251 ESP Fit Center 5975 is at 3.695418 -0.631473 -3.464251 ESP Fit Center 5976 is at 4.095452 -0.485873 -3.464251 ESP Fit Center 5977 is at 4.421562 -0.212234 -3.464251 ESP Fit Center 5978 is at 4.634416 0.156439 -3.464251 ESP Fit Center 5979 is at 4.316910 0.575679 -3.626386 ESP Fit Center 5980 is at 4.205129 0.992852 -3.626386 ESP Fit Center 5981 is at 3.482564 -0.258667 -3.626386 ESP Fit Center 5982 is at 3.899737 -0.146886 -3.626386 ESP Fit Center 5983 is at 4.205129 0.158506 -3.626386 ESP Fit Center 5984 is at 3.904937 0.575679 -3.725292 ESP Fit Center 5985 is at 3.693751 0.209893 -3.725292 ESP Fit Center 5986 is at 3.537534 2.815213 -2.625426 ESP Fit Center 5987 is at 3.632215 2.566397 -2.998861 ESP Fit Center 5988 is at 3.232734 2.685994 -2.998861 ESP Fit Center 5989 is at 3.963364 2.033547 -3.326180 ESP Fit Center 5990 is at 3.623547 2.273416 -3.326180 ESP Fit Center 5991 is at 3.231615 2.412709 -3.326180 ESP Fit Center 5992 is at 2.816636 2.441094 -3.326180 ESP Fit Center 5993 is at 4.048527 1.327739 -3.594804 ESP Fit Center 5994 is at 3.840144 1.688670 -3.594804 ESP Fit Center 5995 is at 3.520882 1.956562 -3.594804 ESP Fit Center 5996 is at 3.129249 2.099105 -3.594804 ESP Fit Center 5997 is at 2.712483 2.099105 -3.594804 ESP Fit Center 5998 is at 2.320850 1.956562 -3.594804 ESP Fit Center 5999 is at 2.712483 -0.264496 -3.594804 ESP Fit Center 6000 is at 3.747462 0.917304 -3.794409 ESP Fit Center 6001 is at 3.636719 1.330602 -3.794409 ESP Fit Center 6002 is at 3.334164 1.633157 -3.794409 ESP Fit Center 6003 is at 2.920866 1.743900 -3.794409 ESP Fit Center 6004 is at 2.507568 1.633157 -3.794409 ESP Fit Center 6005 is at 2.205013 1.330602 -3.794409 ESP Fit Center 6006 is at 2.094270 0.917304 -3.794409 ESP Fit Center 6007 is at 2.205013 0.504006 -3.794409 ESP Fit Center 6008 is at 2.507568 0.201451 -3.794409 ESP Fit Center 6009 is at 2.920866 0.090708 -3.794409 ESP Fit Center 6010 is at 3.334164 0.201451 -3.794409 ESP Fit Center 6011 is at 3.636719 0.504006 -3.794409 ESP Fit Center 6012 is at 3.342261 0.917304 -3.917326 ESP Fit Center 6013 is at 3.131564 1.282243 -3.917326 ESP Fit Center 6014 is at 2.710169 1.282243 -3.917326 ESP Fit Center 6015 is at 2.499471 0.917304 -3.917326 ESP Fit Center 6016 is at 2.710169 0.552365 -3.917326 ESP Fit Center 6017 is at 3.131564 0.552365 -3.917326 ESP Fit Center 6018 is at 2.920866 0.917304 -3.958829 ESP Fit Center 6019 is at -2.057002 3.015482 -2.434703 ESP Fit Center 6020 is at -1.575563 3.373860 -2.714178 ESP Fit Center 6021 is at -1.747464 3.002303 -2.714178 ESP Fit Center 6022 is at -1.835472 2.602479 -2.714178 ESP Fit Center 6023 is at -1.383011 3.018789 -2.950302 ESP Fit Center 6024 is at -1.497540 2.610031 -2.950302 ESP Fit Center 6025 is at 1.723024 2.542080 3.765221 ESP Fit Center 6026 is at 1.614586 2.946775 3.765221 ESP Fit Center 6027 is at 1.318329 1.841127 3.765221 ESP Fit Center 6028 is at 1.614586 2.137385 3.765221 ESP Fit Center 6029 is at 2.108837 2.542080 3.628103 ESP Fit Center 6030 is at 2.036757 2.950864 3.628103 ESP Fit Center 6031 is at 1.829212 3.310342 3.628103 ESP Fit Center 6032 is at 1.511235 3.577156 3.628103 ESP Fit Center 6033 is at 1.829212 1.773818 3.628103 ESP Fit Center 6034 is at 2.036757 2.133296 3.628103 ESP Fit Center 6035 is at 2.472385 2.542080 3.439727 ESP Fit Center 6036 is at 2.414583 2.962626 3.439727 ESP Fit Center 6037 is at 2.245461 3.351982 3.439727 ESP Fit Center 6038 is at 1.977565 3.681272 3.439727 ESP Fit Center 6039 is at 1.630761 3.926073 3.439727 ESP Fit Center 6040 is at 2.414583 2.121534 3.439727 ESP Fit Center 6041 is at 2.806897 2.542080 3.203603 ESP Fit Center 6042 is at 2.762634 2.949076 3.203603 ESP Fit Center 6043 is at 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6062 is at 3.329289 2.956286 2.606510 ESP Fit Center 6063 is at 3.224541 3.358576 2.606510 ESP Fit Center 6064 is at 1.429989 4.937980 2.606510 ESP Fit Center 6065 is at 1.017653 4.990781 2.606510 ESP Fit Center 6066 is at 0.602324 4.973138 2.606510 ESP Fit Center 6067 is at -0.189775 0.353599 2.606510 ESP Fit Center 6068 is at 3.329289 2.127874 2.606510 ESP Fit Center 6069 is at 3.577289 2.542080 2.256664 ESP Fit Center 6070 is at 3.544495 2.958768 2.256664 ESP Fit Center 6071 is at 0.913634 5.205736 2.256664 ESP Fit Center 6072 is at 0.496946 5.172942 2.256664 ESP Fit Center 6073 is at 0.090519 5.075367 2.256664 ESP Fit Center 6074 is at 3.544495 2.125392 2.256664 ESP Fit Center 6075 is at 3.740416 2.542080 1.881108 ESP Fit Center 6076 is at 3.710292 2.953663 1.881108 ESP Fit Center 6077 is at 0.400186 5.321841 1.881108 ESP Fit Center 6078 is at 0.000921 5.217460 1.881108 ESP Fit Center 6079 is at -0.378891 5.056057 1.881108 ESP Fit Center 6080 is at 3.710292 2.130497 1.881108 ESP Fit Center 6081 is at 3.850886 2.542080 1.486837 ESP Fit Center 6082 is at 0.203048 5.392083 1.486837 ESP Fit Center 6083 is at -0.186680 5.265453 1.486837 ESP Fit Center 6084 is at -0.554993 5.085815 1.486837 ESP Fit Center 6085 is at 3.822301 2.133293 1.486837 ESP Fit Center 6086 is at 0.189560 5.446181 1.081196 ESP Fit Center 6087 is at -0.207566 5.317147 1.081196 ESP Fit Center 6088 is at -0.582870 5.134099 1.081196 ESP Fit Center 6089 is at 0.189560 5.446181 0.671742 ESP Fit Center 6090 is at 0.094337 4.722323 -2.536972 ESP Fit Center 6091 is at -0.283529 4.565806 -2.536972 ESP Fit Center 6092 is at 0.189715 4.562026 -2.914018 ESP Fit Center 6093 is at -0.191913 4.408675 -2.914018 ESP Fit Center 6094 is at -0.542136 4.193034 -2.914018 ESP Fit Center 6095 is at -0.850878 3.921308 -2.914018 ESP Fit Center 6096 is at -1.109256 3.601312 -2.914018 ESP Fit Center 6097 is at 0.183779 4.312173 -3.259789 ESP Fit Center 6098 is at -0.194791 4.139286 -3.259789 ESP Fit Center 6099 is at 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0.933733 -3.566563 ESP Fit Center 6118 is at 2.477069 2.243445 -3.827486 ESP Fit Center 6119 is at 2.423324 2.651679 -3.827486 ESP Fit Center 6120 is at 0.899773 3.820741 -3.827486 ESP Fit Center 6121 is at 0.491539 3.766996 -3.827486 ESP Fit Center 6122 is at 0.111125 3.609424 -3.827486 ESP Fit Center 6123 is at -0.215544 3.358762 -3.827486 ESP Fit Center 6124 is at -0.466206 3.032093 -3.827486 ESP Fit Center 6125 is at -0.623778 2.651679 -3.827486 ESP Fit Center 6126 is at -0.677523 2.243445 -3.827486 ESP Fit Center 6127 is at -0.623778 1.835211 -3.827486 ESP Fit Center 6128 is at -0.466206 1.454797 -3.827486 ESP Fit Center 6129 is at -0.215544 1.128128 -3.827486 ESP Fit Center 6130 is at 2.114647 2.243445 -4.036730 ESP Fit Center 6131 is at 2.041381 2.658957 -4.036730 ESP Fit Center 6132 is at 1.830421 3.024351 -4.036730 ESP Fit Center 6133 is at 1.507210 3.295557 -4.036730 ESP Fit Center 6134 is at 1.110734 3.439863 -4.036730 ESP Fit Center 6135 is at 0.688812 3.439863 -4.036730 ESP Fit Center 6136 is at 0.292336 3.295557 -4.036730 ESP Fit Center 6137 is at -0.030875 3.024351 -4.036730 ESP Fit Center 6138 is at -0.241836 2.658957 -4.036730 ESP Fit Center 6139 is at -0.315102 2.243445 -4.036730 ESP Fit Center 6140 is at -0.241836 1.827933 -4.036730 ESP Fit Center 6141 is at -0.030875 1.462539 -4.036730 ESP Fit Center 6142 is at 0.292336 1.191333 -4.036730 ESP Fit Center 6143 is at 1.507210 1.191333 -4.036730 ESP Fit Center 6144 is at 1.830421 1.462539 -4.036730 ESP Fit Center 6145 is at 2.041381 1.827933 -4.036730 ESP Fit Center 6146 is at 1.725087 2.243445 -4.189621 ESP Fit Center 6147 is at 1.614516 2.656102 -4.189621 ESP Fit Center 6148 is at 1.312430 2.958188 -4.189621 ESP Fit Center 6149 is at 0.899773 3.068759 -4.189621 ESP Fit Center 6150 is at 0.487116 2.958188 -4.189621 ESP Fit Center 6151 is at 0.185030 2.656102 -4.189621 ESP Fit Center 6152 is at 0.074458 2.243445 -4.189621 ESP Fit Center 6153 is at 0.185030 1.830788 -4.189621 ESP Fit Center 6154 is 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-1.517633 3.163776 ESP Fit Center 6173 is at -4.111495 -0.802890 3.163776 ESP Fit Center 6174 is at -4.413581 -1.104976 3.163776 ESP Fit Center 6175 is at -4.524152 -1.517633 3.163776 ESP Fit Center 6176 is at -4.413581 -1.930291 3.163776 ESP Fit Center 6177 is at -4.111495 -2.232377 3.163776 ESP Fit Center 6178 is at -3.698837 -2.342948 3.163776 ESP Fit Center 6179 is at -3.286180 -2.232377 3.163776 ESP Fit Center 6180 is at -2.984094 -1.930291 3.163776 ESP Fit Center 6181 is at -4.629485 -0.736727 3.010885 ESP Fit Center 6182 is at -4.840446 -1.102122 3.010885 ESP Fit Center 6183 is at -4.913712 -1.517633 3.010885 ESP Fit Center 6184 is at -4.840446 -1.933145 3.010885 ESP Fit Center 6185 is at -4.629485 -2.298540 3.010885 ESP Fit Center 6186 is at -4.306275 -2.569745 3.010885 ESP Fit Center 6187 is at -3.909798 -2.714051 3.010885 ESP Fit Center 6188 is at -3.487877 -2.714051 3.010885 ESP Fit Center 6189 is at -3.091400 -2.569745 3.010885 ESP Fit Center 6190 is at -2.768190 -2.298540 3.010885 ESP Fit Center 6191 is at -2.557229 -1.933145 3.010885 ESP Fit Center 6192 is at -5.064816 -0.728985 2.801640 ESP Fit Center 6193 is at -5.222389 -1.109399 2.801640 ESP Fit Center 6194 is at -5.276134 -1.517633 2.801640 ESP Fit Center 6195 is at -5.222389 -1.925868 2.801640 ESP Fit Center 6196 is at -5.064816 -2.306281 2.801640 ESP Fit Center 6197 is at -4.814154 -2.632950 2.801640 ESP Fit Center 6198 is at -4.487486 -2.883612 2.801640 ESP Fit Center 6199 is at -4.107072 -3.041184 2.801640 ESP Fit Center 6200 is at -3.698837 -3.094929 2.801640 ESP Fit Center 6201 is at -3.290603 -3.041184 2.801640 ESP Fit Center 6202 is at -2.910189 -2.883612 2.801640 ESP Fit Center 6203 is at -2.583521 -2.632950 2.801640 ESP Fit Center 6204 is at -2.332859 -2.306281 2.801640 ESP Fit Center 6205 is at -5.330708 -0.535769 2.540717 ESP Fit Center 6206 is at -5.503627 -0.909529 2.540717 ESP Fit Center 6207 is at -5.592157 -1.311722 2.540717 ESP Fit Center 6208 is at -5.592157 -1.723544 2.540717 ESP Fit Center 6209 is at -5.503627 -2.125738 2.540717 ESP Fit Center 6210 is at -5.330708 -2.499497 2.540717 ESP Fit Center 6211 is at -5.081484 -2.827346 2.540717 ESP Fit Center 6212 is at -4.767609 -3.093953 2.540717 ESP Fit Center 6213 is at -4.403760 -3.286854 2.540717 ESP Fit Center 6214 is at -4.006949 -3.397028 2.540717 ESP Fit Center 6215 is at -3.595731 -3.419324 2.540717 ESP Fit Center 6216 is at -3.189334 -3.352699 2.540717 ESP Fit Center 6217 is at -2.806761 -3.200268 2.540717 ESP Fit Center 6218 is at -2.465901 -2.969158 2.540717 ESP Fit Center 6219 is at -5.644612 -0.514517 2.233943 ESP Fit Center 6220 is at -5.799291 -0.900885 2.233943 ESP Fit Center 6221 is at -5.878053 -1.309543 2.233943 ESP Fit Center 6222 is at -5.878053 -1.725723 2.233943 ESP Fit Center 6223 is at -5.799291 -2.134382 2.233943 ESP Fit Center 6224 is at -5.644612 -2.520750 2.233943 ESP Fit Center 6225 is at -5.419608 -2.870863 2.233943 ESP Fit Center 6226 is at -5.132412 -3.172066 2.233943 ESP Fit Center 6227 is at -4.793402 -3.413474 2.233943 ESP Fit Center 6228 is at -4.414831 -3.586361 2.233943 ESP Fit Center 6229 is at -4.010383 -3.684479 2.233943 ESP Fit Center 6230 is at -3.594675 -3.704282 2.233943 ESP Fit Center 6231 is at -3.182731 -3.645053 2.233943 ESP Fit Center 6232 is at -5.908449 -0.518826 1.888172 ESP Fit Center 6233 is at -6.045465 -0.906619 1.888172 ESP Fit Center 6234 is at -6.114973 -1.311990 1.888172 ESP Fit Center 6235 is at -6.114973 -1.723277 1.888172 ESP Fit Center 6236 is at -6.045465 -2.128648 1.888172 ESP Fit Center 6237 is at -5.908449 -2.516441 1.888172 ESP Fit Center 6238 is at -5.707867 -2.875500 1.888172 ESP Fit Center 6239 is at -5.449488 -3.195496 1.888172 ESP Fit Center 6240 is at -5.140746 -3.467223 1.888172 ESP Fit Center 6241 is at -4.790524 -3.682863 1.888172 ESP Fit Center 6242 is at -4.408895 -3.836214 1.888172 ESP Fit Center 6243 is at -4.006839 -3.922864 1.888172 ESP Fit Center 6244 is at -3.595923 -3.940320 1.888172 ESP Fit Center 6245 is at -3.187967 -3.888079 1.888172 ESP Fit Center 6246 is at -6.021198 -0.334331 1.511127 ESP Fit Center 6247 is at -6.177715 -0.712197 1.511127 ESP Fit Center 6248 is at -6.273194 -1.109895 1.511127 ESP Fit Center 6249 is at -6.305284 -1.517633 1.511127 ESP Fit Center 6250 is at -6.273194 -1.925371 1.511127 ESP Fit Center 6251 is at -6.177715 -2.323070 1.511127 ESP Fit Center 6252 is at -6.021198 -2.700935 1.511127 ESP Fit Center 6253 is at -5.807497 -3.049664 1.511127 ESP Fit Center 6254 is at -5.541873 -3.360669 1.511127 ESP Fit Center 6255 is at -5.230868 -3.626293 1.511127 ESP Fit Center 6256 is at -4.882139 -3.839994 1.511127 ESP Fit Center 6257 is at -4.504274 -3.996511 1.511127 ESP Fit Center 6258 is at -4.106576 -4.091990 1.511127 ESP Fit Center 6259 is at -3.698837 -4.124080 1.511127 ESP Fit Center 6260 is at -6.230732 -0.497188 1.111231 ESP Fit Center 6261 is at -6.356829 -0.895639 1.111231 ESP Fit Center 6262 is at -6.420626 -1.308669 1.111231 ESP Fit Center 6263 is at -6.420626 -1.726597 1.111231 ESP Fit Center 6264 is at -6.356829 -2.139627 1.111231 ESP Fit Center 6265 is at -6.230732 -2.538078 1.111231 ESP Fit Center 6266 is at -6.045289 -2.912611 1.111231 ESP Fit Center 6267 is at -5.804847 -3.254447 1.111231 ESP Fit Center 6268 is at -5.515042 -3.555573 1.111231 ESP Fit Center 6269 is at -5.182667 -3.808931 1.111231 ESP Fit Center 6270 is at -4.815512 -4.008584 1.111231 ESP Fit Center 6271 is at -4.422183 -4.149851 1.111231 ESP Fit Center 6272 is at -4.011900 -4.229420 1.111231 ESP Fit Center 6273 is at -6.214496 -0.306156 0.697416 ESP Fit Center 6274 is at -6.366960 -0.694627 0.697416 ESP Fit Center 6275 is at -6.459822 -1.101482 0.697416 ESP Fit Center 6276 is at -6.491008 -1.517633 0.697416 ESP Fit Center 6277 is at -6.459822 -1.933785 0.697416 ESP Fit Center 6278 is at -6.366960 -2.340640 0.697416 ESP Fit Center 6279 is at -6.214496 -2.729111 0.697416 ESP Fit Center 6280 is at -6.005837 -3.090519 0.697416 ESP Fit Center 6281 is at -5.745643 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ESP Fit Center 6572 is at -4.263632 2.539342 2.753639 ESP Fit Center 6573 is at -1.460916 4.736553 2.446865 ESP Fit Center 6574 is at -1.854206 4.872672 2.446865 ESP Fit Center 6575 is at -2.266150 4.931901 2.446865 ESP Fit Center 6576 is at -2.681858 4.912098 2.446865 ESP Fit Center 6577 is at -3.086307 4.813980 2.446865 ESP Fit Center 6578 is at -3.464877 4.641093 2.446865 ESP Fit Center 6579 is at -3.803887 4.399685 2.446865 ESP Fit Center 6580 is at -4.091084 4.098482 2.446865 ESP Fit Center 6581 is at -4.316088 3.748369 2.446865 ESP Fit Center 6582 is at -4.470766 3.362001 2.446865 ESP Fit Center 6583 is at -4.549528 2.953342 2.446865 ESP Fit Center 6584 is at -1.098935 4.810101 2.101094 ESP Fit Center 6585 is at -1.466184 4.995264 2.101094 ESP Fit Center 6586 is at -1.859443 5.115698 2.101094 ESP Fit Center 6587 is at -2.267398 5.167939 2.101094 ESP Fit Center 6588 is at -2.678315 5.150483 2.101094 ESP Fit Center 6589 is at -3.080370 5.063834 2.101094 ESP Fit Center 6590 is at 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ESP Fit Center 6609 is at -4.849191 3.550689 1.724049 ESP Fit Center 6610 is at -4.944670 3.152990 1.724049 ESP Fit Center 6611 is at -1.066234 5.143414 1.324152 ESP Fit Center 6612 is at -1.447595 5.314375 1.324152 ESP Fit Center 6613 is at -1.850584 5.425118 1.324152 ESP Fit Center 6614 is at -2.265754 5.473047 1.324152 ESP Fit Center 6615 is at -2.683375 5.457040 1.324152 ESP Fit Center 6616 is at -3.093659 5.377470 1.324152 ESP Fit Center 6617 is at -3.486988 5.236203 1.324152 ESP Fit Center 6618 is at -3.854143 5.036551 1.324152 ESP Fit Center 6619 is at -4.186518 4.783192 1.324152 ESP Fit Center 6620 is at -4.476323 4.482066 1.324152 ESP Fit Center 6621 is at -4.716764 4.140230 1.324152 ESP Fit Center 6622 is at -4.902207 3.765698 1.324152 ESP Fit Center 6623 is at -5.028305 3.367247 1.324152 ESP Fit Center 6624 is at -5.092101 2.954216 1.324152 ESP Fit Center 6625 is at -1.350218 5.344411 0.910338 ESP Fit Center 6626 is at -1.748996 5.467418 0.910338 ESP Fit Center 6627 is at 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ESP Fit Center 6646 is at -4.677313 4.318138 0.491849 ESP Fit Center 6647 is at -4.885972 3.956730 0.491849 ESP Fit Center 6648 is at -5.038435 3.568259 0.491849 ESP Fit Center 6649 is at -5.131297 3.161404 0.491849 ESP Fit Center 6650 is at -1.850584 5.425118 0.078035 ESP Fit Center 6651 is at -2.265754 5.473047 0.078035 ESP Fit Center 6652 is at -2.683375 5.457040 0.078035 ESP Fit Center 6653 is at -3.093659 5.377470 0.078035 ESP Fit Center 6654 is at -3.486988 5.236203 0.078035 ESP Fit Center 6655 is at -3.854143 5.036551 0.078035 ESP Fit Center 6656 is at -4.186518 4.783192 0.078035 ESP Fit Center 6657 is at -4.476323 4.482066 0.078035 ESP Fit Center 6658 is at -4.716764 4.140230 0.078035 ESP Fit Center 6659 is at -4.902207 3.765698 0.078035 ESP Fit Center 6660 is at -5.028305 3.367247 0.078035 ESP Fit Center 6661 is at -5.092101 2.954216 0.078035 ESP Fit Center 6662 is at -1.962575 5.319609 -0.321861 ESP Fit Center 6663 is at -2.370313 5.351699 -0.321861 ESP Fit Center 6664 is at -2.778051 5.319609 -0.321861 ESP Fit Center 6665 is at -3.175749 5.224130 -0.321861 ESP Fit Center 6666 is at -3.553615 5.067613 -0.321861 ESP Fit Center 6667 is at -3.902344 4.853912 -0.321861 ESP Fit Center 6668 is at -4.213349 4.588288 -0.321861 ESP Fit Center 6669 is at -4.478972 4.277283 -0.321861 ESP Fit Center 6670 is at -4.692674 3.928554 -0.321861 ESP Fit Center 6671 is at -4.849191 3.550689 -0.321861 ESP Fit Center 6672 is at -4.944670 3.152990 -0.321861 ESP Fit Center 6673 is at -4.976759 2.745252 -0.321861 ESP Fit Center 6674 is at -2.267398 5.167939 -0.698906 ESP Fit Center 6675 is at -2.678315 5.150483 -0.698906 ESP Fit Center 6676 is at -3.080370 5.063834 -0.698906 ESP Fit Center 6677 is at -3.461999 4.910483 -0.698906 ESP Fit Center 6678 is at -3.812222 4.694842 -0.698906 ESP Fit Center 6679 is at -4.120963 4.423115 -0.698906 ESP Fit Center 6680 is at -4.379342 4.103119 -0.698906 ESP Fit Center 6681 is at -4.579925 3.744060 -0.698906 ESP Fit Center 6682 is at -4.716941 3.356267 -0.698906 ESP Fit Center 6683 is at -4.786448 2.950896 -0.698906 ESP Fit Center 6684 is at -2.266150 4.931901 -1.044678 ESP Fit Center 6685 is at -2.681858 4.912098 -1.044678 ESP Fit Center 6686 is at -3.086307 4.813980 -1.044678 ESP Fit Center 6687 is at -3.464877 4.641093 -1.044678 ESP Fit Center 6688 is at -3.803887 4.399685 -1.044678 ESP Fit Center 6689 is at -4.091084 4.098482 -1.044678 ESP Fit Center 6690 is at -4.316088 3.748369 -1.044678 ESP Fit Center 6691 is at -4.470766 3.362001 -1.044678 ESP Fit Center 6692 is at -4.549528 2.953342 -1.044678 ESP Fit Center 6693 is at -2.678424 4.624647 -1.351451 ESP Fit Center 6694 is at -3.075235 4.514473 -1.351451 ESP Fit Center 6695 is at -3.439084 4.321573 -1.351451 ESP Fit Center 6696 is at -3.752959 4.054965 -1.351451 ESP Fit Center 6697 is at -4.002183 3.727116 -1.351451 ESP Fit Center 6698 is at -4.175103 3.353357 -1.351451 ESP Fit Center 6699 is at -4.263632 2.951163 -1.351451 ESP Fit Center 6700 is at -2.778547 4.268804 -1.612375 ESP Fit Center 6701 is at -3.158961 4.111231 -1.612375 ESP Fit Center 6702 is at -3.485630 3.860569 -1.612375 ESP Fit Center 6703 is at -3.736291 3.533901 -1.612375 ESP Fit Center 6704 is at -3.893864 3.153487 -1.612375 ESP Fit Center 6705 is at -2.581274 3.941670 -1.821619 ESP Fit Center 6706 is at -2.977750 3.797365 -1.821619 ESP Fit Center 6707 is at -3.300961 3.526159 -1.821619 ESP Fit Center 6708 is at -3.511921 3.160764 -1.821619 ESP Fit Center 6709 is at -2.782970 3.459996 -1.974510 ESP Fit Center 6710 is at -0.477210 0.562054 2.691629 ESP Fit Center 6711 is at -0.674361 0.085961 2.554511 ESP Fit Center 6712 is at -0.284304 0.227930 2.554511 ESP Fit Center 6713 is at -2.256407 2.565003 -2.524257 ESP Fit Center 6714 is at -2.504162 2.239086 -2.524257 ESP Fit Center 6715 is at -2.764071 1.058309 -2.524257 ESP Fit Center 6716 is at -2.091047 2.246716 -2.760381 ESP Fit Center 6717 is at -2.311610 1.884015 -2.760381 ESP Fit Center 6718 is at -2.426139 1.475257 -2.760381 ESP Fit Center 6719 is at -2.426139 1.050757 -2.760381 ESP Fit Center 6720 is at -1.797484 2.031269 -2.948757 ESP Fit Center 6721 is at -2.005029 1.671790 -2.948757 ESP Fit Center 6722 is at -2.077109 1.263007 -2.948757 ESP Fit Center 6723 is at -1.582858 1.667702 -3.085875 ESP Fit Center 6724 is at -1.691296 1.263007 -3.085875 ESP Fit Center 6725 is at -1.290406 1.263007 -3.169181 ESP Fit Center 6726 is at -2.234483 0.838499 -2.886294 ESP Fit Center 6727 is at -2.406383 0.466942 -2.886294 ESP Fit Center 6728 is at -1.821367 0.846129 -3.122418 ESP Fit Center 6729 is at -2.041931 0.483428 -3.122418 ESP Fit Center 6730 is at -2.156459 0.074670 -3.122418 ESP Fit Center 6731 is at -1.209828 0.897496 -3.310794 ESP Fit Center 6732 is at -1.527805 0.630682 -3.310794 ESP Fit Center 6733 is at -1.735350 0.271203 -3.310794 ESP Fit Center 6734 is at -1.807429 -0.137580 -3.310794 ESP Fit Center 6735 is at -1.016921 0.563372 -3.447912 ESP Fit Center 6736 is at -1.313178 0.267115 -3.447912 ESP Fit Center 6737 is at -1.421616 -0.137580 -3.447912 ESP Fit Center 6738 is at -1.313178 -0.542275 -3.447912 ESP Fit Center 6739 is at -2.944005 0.255478 -2.651767 ESP Fit Center 6740 is at -3.191761 -0.070439 -2.651767 ESP Fit Center 6741 is at -3.451670 -0.841821 -2.651767 ESP Fit Center 6742 is at -2.468406 0.226935 -2.887891 ESP Fit Center 6743 is at -2.778646 -0.062809 -2.887891 ESP Fit Center 6744 is at -2.999209 -0.425510 -2.887891 ESP Fit Center 6745 is at -2.485083 -0.278257 -3.076267 ESP Fit Center 6746 is at -2.692628 -0.637735 -3.076267 ESP Fit Center 6747 is at -0.644233 5.156746 1.050500 ESP Fit Center 6748 is at -0.222597 5.375842 0.707810 ESP Fit Center 6749 is at -0.642606 5.397143 0.707810 ESP Fit Center 6750 is at -1.058305 5.333460 0.707810 ESP Fit Center 6751 is at -0.005635 5.513040 0.328658 ESP Fit Center 6752 is at -0.430024 5.574057 0.328658 ESP Fit Center 6753 is at -0.858291 5.553657 0.328658 ESP Fit Center 6754 is at -1.274958 5.452574 0.328658 ESP Fit Center 6755 is at 0.193040 5.569208 -0.075434 ESP Fit Center 6756 is at -0.220068 5.663498 -0.075434 ESP Fit Center 6757 is at -0.643373 5.682508 -0.075434 ESP Fit Center 6758 is at -1.063270 5.625629 -0.075434 ESP Fit Center 6759 is at -1.466263 5.494689 -0.075434 ESP Fit Center 6760 is at 0.662666 5.399811 -0.492190 ESP Fit Center 6761 is at 0.283515 5.576612 -0.492190 ESP Fit Center 6762 is at -0.120578 5.684888 -0.492190 ESP Fit Center 6763 is at -0.537334 5.721350 -0.492190 ESP Fit Center 6764 is at -0.954089 5.684888 -0.492190 ESP Fit Center 6765 is at -1.358182 5.576612 -0.492190 ESP Fit Center 6766 is at -1.737334 5.399811 -0.492190 ESP Fit Center 6767 is at 0.582673 5.402671 -0.908946 ESP Fit Center 6768 is at 0.193040 5.569208 -0.908946 ESP Fit Center 6769 is at -0.220068 5.663498 -0.908946 ESP Fit Center 6770 is at -0.643373 5.682508 -0.908946 ESP Fit Center 6771 is at -1.063270 5.625629 -0.908946 ESP Fit Center 6772 is at -1.466263 5.494689 -0.908946 ESP Fit Center 6773 is at -1.839400 5.293896 -0.908946 ESP Fit Center 6774 is at -2.170687 5.029703 -0.908946 ESP Fit Center 6775 is at 0.399536 5.372808 -1.313038 ESP Fit Center 6776 is at -0.005635 5.513040 -1.313038 ESP Fit Center 6777 is at -0.430024 5.574057 -1.313038 ESP Fit Center 6778 is at -0.858291 5.553657 -1.313038 ESP Fit Center 6779 is at -1.274958 5.452574 -1.313038 ESP Fit Center 6780 is at -1.664965 5.274464 -1.313038 ESP Fit Center 6781 is at -2.014216 5.025763 -1.313038 ESP Fit Center 6782 is at -2.310090 4.715460 -1.313038 ESP Fit Center 6783 is at 0.184527 5.270431 -1.692190 ESP Fit Center 6784 is at -0.222597 5.375842 -1.692190 ESP Fit Center 6785 is at -0.642606 5.397143 -1.692190 ESP Fit Center 6786 is at -1.058305 5.333460 -1.692190 ESP Fit Center 6787 is at -1.452676 5.187401 -1.692190 ESP Fit Center 6788 is at -1.809572 4.964946 -1.692190 ESP Fit Center 6789 is at -2.114383 4.675202 -1.692190 ESP Fit Center 6790 is at -2.354629 4.330031 -1.692190 ESP Fit Center 6791 is at 0.190862 5.009496 -2.034880 ESP Fit Center 6792 is at -0.218080 5.131925 -2.034880 ESP Fit Center 6793 is at -0.644233 5.156746 -2.034880 ESP Fit Center 6794 is at -1.064623 5.082620 -2.034880 ESP Fit Center 6795 is at -1.456587 4.913543 -2.034880 ESP Fit Center 6796 is at -1.798993 4.658631 -2.034880 ESP Fit Center 6797 is at -2.073384 4.331625 -2.034880 ESP Fit Center 6798 is at -2.264965 3.950156 -2.034880 ESP Fit Center 6799 is at -2.363409 3.534787 -2.034880 ESP Fit Center 6800 is at -0.223464 4.831773 -2.330697 ESP Fit Center 6801 is at -0.642611 4.860443 -2.330697 ESP Fit Center 6802 is at -1.053949 4.774966 -2.330697 ESP Fit Center 6803 is at -1.426973 4.581681 -2.330697 ESP Fit Center 6804 is at -1.734016 4.294923 -2.330697 ESP Fit Center 6805 is at -1.952307 3.935959 -2.330697 ESP Fit Center 6806 is at -2.065655 3.531413 -2.330697 ESP Fit Center 6807 is at -0.745711 4.503119 -2.570651 ESP Fit Center 6808 is at -1.137334 4.360580 -2.570651 ESP Fit Center 6809 is at -1.456587 4.092695 -2.570651 ESP Fit Center 6810 is at -1.664965 3.731774 -2.570651 ESP Fit Center 6811 is at -0.947758 4.032225 -2.747452 ESP Fit Center 6812 is at -1.248209 3.731774 -2.747452 ESP Fit Center 6813 is at 0.265435 2.696372 4.150202 ESP Fit Center 6814 is at 0.682191 2.696372 4.113741 ESP Fit Center 6815 is at 0.473813 3.057293 4.113741 ESP Fit Center 6816 is at 0.057057 3.057293 4.113741 ESP Fit Center 6817 is at -0.151321 2.696372 4.113741 ESP Fit Center 6818 is at 0.057057 2.335451 4.113741 ESP Fit Center 6819 is at 0.473813 2.335451 4.113741 ESP Fit Center 6820 is at 1.086283 2.696372 4.005465 ESP Fit Center 6821 is at 0.976311 3.106796 4.005465 ESP Fit Center 6822 is at 0.675859 3.407247 4.005465 ESP Fit Center 6823 is at 0.265435 3.517220 4.005465 ESP Fit Center 6824 is at -0.144989 3.407247 4.005465 ESP Fit Center 6825 is at -0.445441 3.106796 4.005465 ESP Fit Center 6826 is at -0.555413 2.696372 4.005465 ESP Fit Center 6827 is at -0.445441 2.285948 4.005465 ESP Fit Center 6828 is at -0.144989 1.985496 4.005465 ESP Fit Center 6829 is at 0.265435 1.875524 4.005465 ESP Fit Center 6830 is at 0.675859 1.985496 4.005465 ESP Fit Center 6831 is at 0.976311 2.285948 4.005465 ESP Fit Center 6832 is at 1.465435 2.696372 3.828663 ESP Fit Center 6833 is at 1.393066 3.106796 3.828663 ESP Fit Center 6834 is at 1.184688 3.467717 3.828663 ESP Fit Center 6835 is at 0.865435 3.735602 3.828663 ESP Fit Center 6836 is at 0.473813 3.878141 3.828663 ESP Fit Center 6837 is at 0.057057 3.878141 3.828663 ESP Fit Center 6838 is at -0.334565 3.735602 3.828663 ESP Fit Center 6839 is at -0.653818 3.467717 3.828663 ESP Fit Center 6840 is at -0.862196 3.106796 3.828663 ESP Fit Center 6841 is at -0.934565 2.696372 3.828663 ESP Fit Center 6842 is at -0.862196 2.285948 3.828663 ESP Fit Center 6843 is at -0.653818 1.925027 3.828663 ESP Fit Center 6844 is at -0.334565 1.657141 3.828663 ESP Fit Center 6845 is at 0.057057 1.514603 3.828663 ESP Fit Center 6846 is at 0.473813 1.514603 3.828663 ESP Fit Center 6847 is at 0.865435 1.657141 3.828663 ESP Fit Center 6848 is at 1.184688 1.925027 3.828663 ESP Fit Center 6849 is at 1.393066 2.285948 3.828663 ESP Fit Center 6850 is at 1.318403 3.823825 3.588709 ESP Fit Center 6851 is at 0.975173 4.066104 3.588709 ESP Fit Center 6852 is at 0.579305 4.206795 3.588709 ESP Fit Center 6853 is at 0.160158 4.235466 3.588709 ESP Fit Center 6854 is at -0.251181 4.149989 3.588709 ESP Fit Center 6855 is at -0.624204 3.956703 3.588709 ESP Fit Center 6856 is at -0.931247 3.669945 3.588709 ESP Fit Center 6857 is at -1.149538 3.310981 3.588709 ESP Fit Center 6858 is at -1.262887 2.906435 3.588709 ESP Fit Center 6859 is at -1.262887 2.486309 3.588709 ESP Fit Center 6860 is at -1.149538 2.081762 3.588709 ESP Fit Center 6861 is at -0.931247 1.722799 3.588709 ESP Fit Center 6862 is at -0.624204 1.436040 3.588709 ESP Fit Center 6863 is at -0.251181 1.242755 3.588709 ESP Fit Center 6864 is at 0.160158 1.157278 3.588709 ESP Fit Center 6865 is at 0.579305 1.185948 3.588709 ESP Fit Center 6866 is at 0.993630 4.384518 3.292893 ESP Fit Center 6867 is at 0.584688 4.506948 3.292893 ESP Fit Center 6868 is at 0.158535 4.531768 3.292893 ESP Fit Center 6869 is at -0.261855 4.457642 3.292893 ESP Fit Center 6870 is at -0.653818 4.288565 3.292893 ESP Fit Center 6871 is at -0.996225 4.033653 3.292893 ESP Fit Center 6872 is at -1.270615 3.706648 3.292893 ESP Fit Center 6873 is at -1.462196 3.325178 3.292893 ESP Fit Center 6874 is at -1.462196 2.067566 3.292893 ESP Fit Center 6875 is at -1.270615 1.686096 3.292893 ESP Fit Center 6876 is at -0.996225 1.359091 3.292893 ESP Fit Center 6877 is at -0.653818 1.104178 3.292893 ESP Fit Center 6878 is at -0.261855 0.935102 3.292893 ESP Fit Center 6879 is at 0.158535 0.860976 3.292893 ESP Fit Center 6880 is at 0.580172 4.750865 2.950202 ESP Fit Center 6881 is at 0.160163 4.772165 2.950202 ESP Fit Center 6882 is at -0.255536 4.708482 2.950202 ESP Fit Center 6883 is at -0.649907 4.562424 2.950202 ESP Fit Center 6884 is at -1.006803 4.339968 2.950202 ESP Fit Center 6885 is at -1.311614 4.050224 2.950202 ESP Fit Center 6886 is at -0.649907 0.830320 2.950202 ESP Fit Center 6887 is at -0.255536 0.684261 2.950202 ESP Fit Center 6888 is at -0.055522 4.928679 2.571051 ESP Fit Center 6889 is at -0.472189 4.827597 2.571051 ESP Fit Center 6890 is at -0.862196 4.649486 2.571051 ESP Fit Center 6891 is at -0.260502 5.000652 2.166958 ESP Fit Center 6892 is at -0.663495 4.869711 2.166958 ESP Fit Center 6893 is at 2.505247 4.174773 2.839696 ESP Fit Center 6894 is at 2.185994 4.442659 2.839696 ESP Fit Center 6895 is at 3.071477 3.819641 2.599742 ESP Fit Center 6896 is at 2.904098 4.204985 2.599742 ESP Fit Center 6897 is at 2.638962 4.530882 2.599742 ESP Fit Center 6898 is at 2.295732 4.773160 2.599742 ESP Fit Center 6899 is at 1.899864 4.913852 2.599742 ESP Fit Center 6900 is at 1.480717 4.942522 2.599742 ESP Fit Center 6901 is at 3.424501 3.403428 2.303925 ESP Fit Center 6902 is at 3.374943 3.827417 2.303925 ESP Fit Center 6903 is at 3.228944 4.228548 2.303925 ESP Fit Center 6904 is at 2.994372 4.585197 2.303925 ESP Fit Center 6905 is at 2.683874 4.878137 2.303925 ESP Fit Center 6906 is at 2.314189 5.091575 2.303925 ESP Fit Center 6907 is at 1.905247 5.214004 2.303925 ESP Fit Center 6908 is at 1.479094 5.238824 2.303925 ESP Fit Center 6909 is at 3.664455 3.403428 1.961235 ESP Fit Center 6910 is at 3.621909 3.821819 1.961235 ESP Fit Center 6911 is at 3.496012 4.223081 1.961235 ESP Fit Center 6912 is at 3.291919 4.590787 1.961235 ESP Fit Center 6913 is at 3.017985 4.909882 1.961235 ESP Fit Center 6914 is at 2.685425 5.167302 1.961235 ESP Fit Center 6915 is at 2.307854 5.352509 1.961235 ESP Fit Center 6916 is at 1.900731 5.457921 1.961235 ESP Fit Center 6917 is at 1.480722 5.479221 1.961235 ESP Fit Center 6918 is at 1.065022 5.415539 1.961235 ESP Fit Center 6919 is at 3.841256 3.403428 1.582083 ESP Fit Center 6920 is at 3.800501 3.830239 1.582083 ESP Fit Center 6921 is at 3.679707 4.241624 1.582083 ESP Fit Center 6922 is at 3.483241 4.622715 1.582083 ESP Fit Center 6923 is at 3.218204 4.959737 1.582083 ESP Fit Center 6924 is at 2.894174 5.240511 1.582083 ESP Fit Center 6925 is at 2.522864 5.454887 1.582083 ESP Fit Center 6926 is at 2.117692 5.595118 1.582083 ESP Fit Center 6927 is at 1.693304 5.656136 1.582083 ESP Fit Center 6928 is at 1.265037 5.635735 1.582083 ESP Fit Center 6929 is at 0.848370 5.534653 1.582083 ESP Fit Center 6930 is at 3.800501 2.976617 1.582083 ESP Fit Center 6931 is at 3.949533 3.403428 1.177991 ESP Fit Center 6932 is at 3.911550 3.825454 1.177991 ESP Fit Center 6933 is at 3.798821 4.233916 1.177991 ESP Fit Center 6934 is at 3.614971 4.615685 1.177991 ESP Fit Center 6935 is at 3.365907 4.958492 1.177991 ESP Fit Center 6936 is at 3.059636 5.251317 1.177991 ESP Fit Center 6937 is at 2.706001 5.484750 1.177991 ESP Fit Center 6938 is at 2.316368 5.651287 1.177991 ESP Fit Center 6939 is at 1.903259 5.745576 1.177991 ESP Fit Center 6940 is at 1.479954 5.764587 1.177991 ESP Fit Center 6941 is at 1.060057 5.707708 1.177991 ESP Fit Center 6942 is at 0.657064 5.576767 1.177991 ESP Fit Center 6943 is at 3.911550 2.981402 1.177991 ESP Fit Center 6944 is at 3.985994 3.403428 0.761235 ESP Fit Center 6945 is at 3.949533 3.820184 0.761235 ESP Fit Center 6946 is at 3.841256 4.224276 0.761235 ESP Fit Center 6947 is at 3.664455 4.603428 0.761235 ESP Fit Center 6948 is at 3.424501 4.946118 0.761235 ESP Fit Center 6949 is at 3.128684 5.241935 0.761235 ESP Fit Center 6950 is at 2.785994 5.481889 0.761235 ESP Fit Center 6951 is at 2.406842 5.658690 0.761235 ESP Fit Center 6952 is at 2.002750 5.766967 0.761235 ESP Fit Center 6953 is at 1.585994 5.803428 0.761235 ESP Fit Center 6954 is at 1.169238 5.766967 0.761235 ESP Fit Center 6955 is at 0.765146 5.658690 0.761235 ESP Fit Center 6956 is at 3.949533 2.986672 0.761235 ESP Fit Center 6957 is at 3.949533 3.403428 0.344479 ESP Fit Center 6958 is at 3.911550 3.825454 0.344479 ESP Fit Center 6959 is at 3.798821 4.233916 0.344479 ESP Fit Center 6960 is at 3.614971 4.615685 0.344479 ESP Fit Center 6961 is at 3.365907 4.958492 0.344479 ESP Fit Center 6962 is at 3.059636 5.251317 0.344479 ESP Fit Center 6963 is at 2.706001 5.484750 0.344479 ESP Fit Center 6964 is at 2.316368 5.651287 0.344479 ESP Fit Center 6965 is at 1.903259 5.745576 0.344479 ESP Fit Center 6966 is at 1.479954 5.764587 0.344479 ESP Fit Center 6967 is at 1.060057 5.707708 0.344479 ESP Fit Center 6968 is at 0.657064 5.576767 0.344479 ESP Fit Center 6969 is at 3.841256 3.403428 -0.059613 ESP Fit Center 6970 is at 3.800501 3.830239 -0.059613 ESP Fit Center 6971 is at 3.679707 4.241624 -0.059613 ESP Fit Center 6972 is at 3.483241 4.622715 -0.059613 ESP Fit Center 6973 is at 3.218204 4.959737 -0.059613 ESP Fit Center 6974 is at 2.894174 5.240511 -0.059613 ESP Fit Center 6975 is at 2.522864 5.454887 -0.059613 ESP Fit Center 6976 is at 2.117692 5.595118 -0.059613 ESP Fit Center 6977 is at 1.693304 5.656136 -0.059613 ESP Fit Center 6978 is at 1.265037 5.635735 -0.059613 ESP Fit Center 6979 is at 0.848370 5.534653 -0.059613 ESP Fit Center 6980 is at 3.621909 3.821819 -0.438765 ESP Fit Center 6981 is at 3.496012 4.223081 -0.438765 ESP Fit Center 6982 is at 3.291919 4.590787 -0.438765 ESP Fit Center 6983 is at 3.017985 4.909882 -0.438765 ESP Fit Center 6984 is at 2.685425 5.167302 -0.438765 ESP Fit Center 6985 is at 2.307854 5.352509 -0.438765 ESP Fit Center 6986 is at 1.900731 5.457921 -0.438765 ESP Fit Center 6987 is at 1.480722 5.479221 -0.438765 ESP Fit Center 6988 is at 1.065022 5.415539 -0.438765 ESP Fit Center 6989 is at -4.150464 1.205977 3.385000 ESP Fit Center 6990 is at -4.358842 0.845056 3.385000 ESP Fit Center 6991 is at -3.942086 1.665905 3.276723 ESP Fit Center 6992 is at -4.352511 1.555932 3.276723 ESP Fit Center 6993 is at -4.652962 1.255480 3.276723 ESP Fit Center 6994 is at -4.762935 0.845056 3.276723 ESP Fit Center 6995 is at -4.652962 0.434632 3.276723 ESP Fit Center 6996 is at -4.150464 2.026825 3.099922 ESP Fit Center 6997 is at -4.542086 1.884287 3.099922 ESP Fit Center 6998 is at -4.861340 1.616401 3.099922 ESP Fit Center 6999 is at -5.069718 1.255480 3.099922 ESP Fit Center 7000 is at -5.142086 0.845056 3.099922 ESP Fit Center 7001 is at -5.069718 0.434632 3.099922 ESP Fit Center 7002 is at -4.861340 0.073711 3.099922 ESP Fit Center 7003 is at -4.458702 2.298673 2.859968 ESP Fit Center 7004 is at -4.831726 2.105388 2.859968 ESP Fit Center 7005 is at -5.138769 1.818629 2.859968 ESP Fit Center 7006 is at -5.357059 1.459666 2.859968 ESP Fit Center 7007 is at -5.470408 1.055119 2.859968 ESP Fit Center 7008 is at -5.470408 0.634993 2.859968 ESP Fit Center 7009 is at -5.357059 0.230447 2.859968 ESP Fit Center 7010 is at -5.138769 -0.128517 2.859968 ESP Fit Center 7011 is at -4.831726 -0.415275 2.859968 ESP Fit Center 7012 is at -4.469376 2.606326 2.564151 ESP Fit Center 7013 is at -4.861340 2.437250 2.564151 ESP Fit Center 7014 is at -5.203746 2.182337 2.564151 ESP Fit Center 7015 is at -5.478136 1.855332 2.564151 ESP Fit Center 7016 is at -5.669718 1.473862 2.564151 ESP Fit Center 7017 is at -5.768162 1.058494 2.564151 ESP Fit Center 7018 is at -5.768162 0.631619 2.564151 ESP Fit Center 7019 is at -5.669718 0.216250 2.564151 ESP Fit Center 7020 is at -5.478136 -0.165220 2.564151 ESP Fit Center 7021 is at -4.857428 2.711108 2.221461 ESP Fit Center 7022 is at -5.214325 2.488653 2.221461 ESP Fit Center 7023 is at -5.519136 2.198908 2.221461 ESP Fit Center 7024 is at -5.759382 1.853737 2.221461 ESP Fit Center 7025 is at -5.925228 1.467271 2.221461 ESP Fit Center 7026 is at -6.009883 1.055331 2.221461 ESP Fit Center 7027 is at -6.009883 0.634782 2.221461 ESP Fit Center 7028 is at -5.925228 0.222842 2.221461 ESP Fit Center 7029 is at -5.759382 -0.163625 2.221461 ESP Fit Center 7030 is at -5.069718 2.798171 1.842309 ESP Fit Center 7031 is at -5.418969 2.549470 1.842309 ESP Fit Center 7032 is at -5.714842 2.239167 1.842309 ESP Fit Center 7033 is at -5.946643 1.878477 1.842309 ESP Fit Center 7034 is at -6.105995 1.480437 1.842309 ESP Fit Center 7035 is at -6.187137 1.059432 1.842309 ESP Fit Center 7036 is at -6.187137 0.630680 1.842309 ESP Fit Center 7037 is at -6.105995 0.209675 1.842309 ESP Fit Center 7038 is at -5.946643 -0.188365 1.842309 ESP Fit Center 7039 is at -5.244153 2.817602 1.438217 ESP Fit Center 7040 is at -5.575440 2.553410 1.438217 ESP Fit Center 7041 is at -5.854229 2.234309 1.438217 ESP Fit Center 7042 is at -6.071561 1.870557 1.438217 ESP Fit Center 7043 is at -6.220450 1.473845 1.438217 ESP Fit Center 7044 is at -6.296110 1.056922 1.438217 ESP Fit Center 7045 is at -6.296110 0.633190 1.438217 ESP Fit Center 7046 is at -6.220450 0.216268 1.438217 ESP Fit Center 7047 is at -6.071561 -0.180445 1.438217 ESP Fit Center 7048 is at -5.484777 2.683563 1.021461 ESP Fit Center 7049 is at -5.780593 2.387746 1.021461 ESP Fit Center 7050 is at -6.020547 2.045056 1.021461 ESP Fit Center 7051 is at -6.197349 1.665905 1.021461 ESP Fit Center 7052 is at -6.305625 1.261812 1.021461 ESP Fit Center 7053 is at -6.342086 0.845056 1.021461 ESP Fit Center 7054 is at -6.305625 0.428301 1.021461 ESP Fit Center 7055 is at -6.197349 0.024208 1.021461 ESP Fit Center 7056 is at -5.244153 2.817602 0.604705 ESP Fit Center 7057 is at -5.575440 2.553410 0.604705 ESP Fit Center 7058 is at -5.854229 2.234309 0.604705 ESP Fit Center 7059 is at -6.071561 1.870557 0.604705 ESP Fit Center 7060 is at -6.220450 1.473845 0.604705 ESP Fit Center 7061 is at -6.296110 1.056922 0.604705 ESP Fit Center 7062 is at -6.296110 0.633190 0.604705 ESP Fit Center 7063 is at -6.220450 0.216268 0.604705 ESP Fit Center 7064 is at -5.418969 2.549470 0.200613 ESP Fit Center 7065 is at -5.714842 2.239167 0.200613 ESP Fit Center 7066 is at -5.946643 1.878477 0.200613 ESP Fit Center 7067 is at -6.105995 1.480437 0.200613 ESP Fit Center 7068 is at -6.187137 1.059432 0.200613 ESP Fit Center 7069 is at -6.187137 0.630680 0.200613 ESP Fit Center 7070 is at -6.105995 0.209675 0.200613 ESP Fit Center 7071 is at -5.519136 2.198908 -0.178539 ESP Fit Center 7072 is at -5.759382 1.853737 -0.178539 ESP Fit Center 7073 is at -5.925228 1.467271 -0.178539 ESP Fit Center 7074 is at -6.009883 1.055331 -0.178539 ESP Fit Center 7075 is at -6.009883 0.634782 -0.178539 ESP Fit Center 7076 is at 2.588618 -2.505614 -2.590728 ESP Fit Center 7077 is at 2.612024 -2.161835 -2.940574 ESP Fit Center 7078 is at 2.844808 -1.817421 -2.940574 ESP Fit Center 7079 is at 2.291921 -2.135129 -3.258193 ESP Fit Center 7080 is at 2.549584 -1.807484 -3.258193 ESP Fit Center 7081 is at 2.740583 -1.436998 -3.258193 ESP Fit Center 7082 is at -0.669372 0.679872 -3.537667 ESP Fit Center 7083 is at -0.917128 0.353955 -3.537667 ESP Fit Center 7084 is at -1.089029 -0.017603 -3.537667 ESP Fit Center 7085 is at -1.177037 -0.417427 -3.537667 ESP Fit Center 7086 is at 2.212343 -1.767879 -3.537667 ESP Fit Center 7087 is at 2.423409 -1.417086 -3.537667 ESP Fit Center 7088 is at 2.554129 -1.029121 -3.537667 ESP Fit Center 7089 is at -0.504013 0.361585 -3.773791 ESP Fit Center 7090 is at -0.724576 -0.001116 -3.773791 ESP Fit Center 7091 is at -0.839105 -0.409875 -3.773791 ESP Fit Center 7092 is at -0.839105 -0.834375 -3.773791 ESP Fit Center 7093 is at -0.724576 -1.243133 -3.773791 ESP Fit Center 7094 is at 1.769060 -1.761317 -3.773791 ESP Fit Center 7095 is at 2.036957 -1.432027 -3.773791 ESP Fit Center 7096 is at 2.206078 -1.042671 -3.773791 ESP Fit Center 7097 is at -0.210450 0.146137 -3.962167 ESP Fit Center 7098 is at -0.417995 -0.213341 -3.962167 ESP Fit Center 7099 is at -0.490074 -0.622125 -3.962167 ESP Fit Center 7100 is at -0.417995 -1.030909 -3.962167 ESP Fit Center 7101 is at 1.620708 -1.390387 -3.962167 ESP Fit Center 7102 is at 1.828253 -1.030909 -3.962167 ESP Fit Center 7103 is at 0.004176 -0.217430 -4.099285 ESP Fit Center 7104 is at -0.104261 -0.622125 -4.099285 ESP Fit Center 7105 is at 0.004176 -1.026820 -4.099285 ESP Fit Center 7106 is at 0.300434 -1.323077 -4.099285 ESP Fit Center 7107 is at 0.705129 -1.431515 -4.099285 ESP Fit Center 7108 is at 1.109824 -1.323077 -4.099285 ESP Fit Center 7109 is at 1.406081 -1.026820 -4.099285 ESP Fit Center 7110 is at 0.296629 -0.622125 -4.182591 ESP Fit Center 7111 is at 0.500879 -0.975896 -4.182591 ESP Fit Center 7112 is at 0.909379 -0.975896 -4.182591 ESP Fit Center 7113 is at 0.705129 -0.622125 -4.210533 ESP Fit Center 7114 is at -1.332786 -2.714867 2.669564 ESP Fit Center 7115 is at -1.537698 -2.359948 2.644774 ESP Fit Center 7116 is at -1.742611 -2.714867 2.644774 ESP Fit Center 7117 is at -1.537698 -3.069785 2.644774 ESP Fit Center 7118 is at -1.127873 -3.069785 2.644774 ESP Fit Center 7119 is at -2.146459 -2.714867 2.570766 ESP Fit Center 7120 is at -2.037448 -3.121703 2.570766 ESP Fit Center 7121 is at -1.739622 -3.419528 2.570766 ESP Fit Center 7122 is at -1.332786 -3.528540 2.570766 ESP Fit Center 7123 is at -0.925949 -3.419528 2.570766 ESP Fit Center 7124 is at -2.465732 -3.127226 2.448619 ESP Fit Center 7125 is at -2.256372 -3.489848 2.448619 ESP Fit Center 7126 is at -1.935614 -3.758996 2.448619 ESP Fit Center 7127 is at -1.542146 -3.902207 2.448619 ESP Fit Center 7128 is at -1.123426 -3.902207 2.448619 ESP Fit Center 7129 is at -0.729957 -3.758996 2.448619 ESP Fit Center 7130 is at -2.701157 -3.504896 2.280114 ESP Fit Center 7131 is at -2.450056 -3.832137 2.280114 ESP Fit Center 7132 is at -2.122815 -4.083238 2.280114 ESP Fit Center 7133 is at -1.741735 -4.241086 2.280114 ESP Fit Center 7134 is at -1.332786 -4.294926 2.280114 ESP Fit Center 7135 is at -0.923836 -4.241086 2.280114 ESP Fit Center 7136 is at -0.542756 -4.083238 2.280114 ESP Fit Center 7137 is at -2.734988 -4.043103 2.067709 ESP Fit Center 7138 is at -2.416674 -4.313482 2.067709 ESP Fit Center 7139 is at -2.047678 -4.509111 2.067709 ESP Fit Center 7140 is at -1.645255 -4.620843 2.067709 ESP Fit Center 7141 is at -1.228221 -4.643454 2.067709 ESP Fit Center 7142 is at -0.816076 -4.575887 2.067709 ESP Fit Center 7143 is at -0.428092 -4.421300 2.067709 ESP Fit Center 7144 is at -0.082411 -4.186922 2.067709 ESP Fit Center 7145 is at -2.998968 -4.233792 1.814500 ESP Fit Center 7146 is at -2.691496 -4.514090 1.814500 ESP Fit Center 7147 is at -2.337755 -4.733117 1.814500 ESP Fit Center 7148 is at -1.949791 -4.883415 1.814500 ESP Fit Center 7149 is at -1.540816 -4.959866 1.814500 ESP Fit Center 7150 is at -1.124756 -4.959866 1.814500 ESP Fit Center 7151 is at -0.715781 -4.883415 1.814500 ESP Fit Center 7152 is at -0.327817 -4.733117 1.814500 ESP Fit Center 7153 is at 0.025925 -4.514090 1.814500 ESP Fit Center 7154 is at -3.341098 -4.277999 1.524181 ESP Fit Center 7155 is at -3.056424 -4.587237 1.524181 ESP Fit Center 7156 is at -2.724734 -4.845402 1.524181 ESP Fit Center 7157 is at -2.355075 -5.045452 1.524181 ESP Fit Center 7158 is at -1.957531 -5.181929 1.524181 ESP Fit Center 7159 is at -1.542945 -5.251111 1.524181 ESP Fit Center 7160 is at -1.122627 -5.251111 1.524181 ESP Fit Center 7161 is at -0.708041 -5.181929 1.524181 ESP Fit Center 7162 is at -0.310496 -5.045452 1.524181 ESP Fit Center 7163 is at 0.059163 -4.845402 1.524181 ESP Fit Center 7164 is at 0.390853 -4.587237 1.524181 ESP Fit Center 7165 is at -3.644722 -4.291118 1.200984 ESP Fit Center 7166 is at -3.383971 -4.618089 1.200984 ESP Fit Center 7167 is at -3.077401 -4.902545 1.200984 ESP Fit Center 7168 is at -2.731858 -5.138132 1.200984 ESP Fit Center 7169 is at -2.355063 -5.319587 1.200984 ESP Fit Center 7170 is at -1.955432 -5.442857 1.200984 ESP Fit Center 7171 is at -1.541891 -5.505188 1.200984 ESP Fit Center 7172 is at -1.123680 -5.505188 1.200984 ESP Fit Center 7173 is at -0.710140 -5.442857 1.200984 ESP Fit Center 7174 is at -0.310509 -5.319587 1.200984 ESP Fit Center 7175 is at 0.066287 -5.138132 1.200984 ESP Fit Center 7176 is at 0.411829 -4.902545 1.200984 ESP Fit Center 7177 is at -3.668104 -4.614789 0.849623 ESP Fit Center 7178 is at -3.387646 -4.915085 0.849623 ESP Fit Center 7179 is at -3.068911 -5.174396 0.849623 ESP Fit Center 7180 is at -2.717835 -5.387890 0.849623 ESP Fit Center 7181 is at -2.340958 -5.551591 0.849623 ESP Fit Center 7182 is at -1.945300 -5.662449 0.849623 ESP Fit Center 7183 is at -1.538233 -5.718399 0.849623 ESP Fit Center 7184 is at -1.127339 -5.718399 0.849623 ESP Fit Center 7185 is at -0.720271 -5.662449 0.849623 ESP Fit Center 7186 is at -0.324614 -5.551591 0.849623 ESP Fit Center 7187 is at 0.052263 -5.387890 0.849623 ESP Fit Center 7188 is at 0.403339 -5.174396 0.849623 ESP Fit Center 7189 is at 0.722075 -4.915085 0.849623 ESP Fit Center 7190 is at -4.085928 -4.304394 0.475221 ESP Fit Center 7191 is at -3.854900 -4.650153 0.475221 ESP Fit Center 7192 is at -3.580717 -4.962798 0.475221 ESP Fit Center 7193 is at -3.268072 -5.236981 0.475221 ESP Fit Center 7194 is at -2.922313 -5.468009 0.475221 ESP Fit Center 7195 is at -2.549358 -5.651931 0.475221 ESP Fit Center 7196 is at -2.155586 -5.785598 0.475221 ESP Fit Center 7197 is at -1.747736 -5.866725 0.475221 ESP Fit Center 7198 is at -1.332786 -5.893922 0.475221 ESP Fit Center 7199 is at -0.917836 -5.866725 0.475221 ESP Fit Center 7200 is at -0.509986 -5.785598 0.475221 ESP Fit Center 7201 is at -0.116214 -5.651931 0.475221 ESP Fit Center 7202 is at 0.256742 -5.468009 0.475221 ESP Fit Center 7203 is at 0.602500 -5.236981 0.475221 ESP Fit Center 7204 is at 0.915146 -4.962798 0.475221 ESP Fit Center 7205 is at -4.225651 -4.305233 0.083237 ESP Fit Center 7206 is at -4.003514 -4.655265 0.083237 ESP Fit Center 7207 is at -3.739259 -4.974695 0.083237 ESP Fit Center 7208 is at -3.437051 -5.258487 0.083237 ESP Fit Center 7209 is at -3.101658 -5.502164 0.083237 ESP Fit Center 7210 is at -2.738369 -5.701884 0.083237 ESP Fit Center 7211 is at -2.352913 -5.854497 0.083237 ESP Fit Center 7212 is at -1.951369 -5.957596 0.083237 ESP Fit Center 7213 is at -1.540070 -6.009555 0.083237 ESP Fit Center 7214 is at -1.125502 -6.009555 0.083237 ESP Fit Center 7215 is at -0.714202 -5.957596 0.083237 ESP Fit Center 7216 is at -0.312658 -5.854497 0.083237 ESP Fit Center 7217 is at 0.072798 -5.701884 0.083237 ESP Fit Center 7218 is at 0.436087 -5.502164 0.083237 ESP Fit Center 7219 is at 0.771480 -5.258487 0.083237 ESP Fit Center 7220 is at 1.073687 -4.974695 0.083237 ESP Fit Center 7221 is at -4.399047 -4.125571 -0.320611 ESP Fit Center 7222 is at -4.202447 -4.491686 -0.320611 ESP Fit Center 7223 is at -3.962346 -4.830866 -0.320611 ESP Fit Center 7224 is at -3.682384 -5.137970 -0.320611 ESP Fit Center 7225 is at -3.366804 -5.408343 -0.320611 ESP Fit Center 7226 is at -3.020391 -5.637885 -0.320611 ESP Fit Center 7227 is at -2.648395 -5.823116 -0.320611 ESP Fit Center 7228 is at -2.256456 -5.961230 -0.320611 ESP Fit Center 7229 is at -1.850515 -6.050133 -0.320611 ESP Fit Center 7230 is at -1.436726 -6.088476 -0.320611 ESP Fit Center 7231 is at -1.021361 -6.075679 -0.320611 ESP Fit Center 7232 is at -0.610717 -6.011935 -0.320611 ESP Fit Center 7233 is at -0.211018 -5.898211 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-5.893922 -0.730436 ESP Fit Center 7252 is at 0.247273 -5.725417 -0.730436 ESP Fit Center 7253 is at 0.598634 -5.513012 -0.730436 ESP Fit Center 7254 is at 0.921831 -5.259803 -0.730436 ESP Fit Center 7255 is at 1.212151 -4.969484 -0.730436 ESP Fit Center 7256 is at 1.465359 -4.646287 -0.730436 ESP Fit Center 7257 is at -4.549165 -3.738071 -1.140261 ESP Fit Center 7258 is at -4.399047 -4.125571 -1.140261 ESP Fit Center 7259 is at -4.202447 -4.491686 -1.140261 ESP Fit Center 7260 is at -3.962346 -4.830866 -1.140261 ESP Fit Center 7261 is at -3.682384 -5.137970 -1.140261 ESP Fit Center 7262 is at -3.366804 -5.408343 -1.140261 ESP Fit Center 7263 is at -3.020391 -5.637885 -1.140261 ESP Fit Center 7264 is at -2.648395 -5.823116 -1.140261 ESP Fit Center 7265 is at -2.256456 -5.961230 -1.140261 ESP Fit Center 7266 is at -1.850515 -6.050133 -1.140261 ESP Fit Center 7267 is at -1.436726 -6.088476 -1.140261 ESP Fit Center 7268 is at -1.021361 -6.075679 -1.140261 ESP Fit Center 7269 is at 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is at -4.343336 -2.714867 -2.310495 ESP Fit Center 7324 is at -4.315296 -3.124803 -2.310495 ESP Fit Center 7325 is at -4.231697 -3.527104 -2.310495 ESP Fit Center 7326 is at -4.094097 -3.914273 -2.310495 ESP Fit Center 7327 is at -3.905059 -4.279100 -2.310495 ESP Fit Center 7328 is at -3.668104 -4.614789 -2.310495 ESP Fit Center 7329 is at -3.387646 -4.915085 -2.310495 ESP Fit Center 7330 is at -3.068911 -5.174396 -2.310495 ESP Fit Center 7331 is at -2.717835 -5.387890 -2.310495 ESP Fit Center 7332 is at -2.340958 -5.551591 -2.310495 ESP Fit Center 7333 is at -1.945300 -5.662449 -2.310495 ESP Fit Center 7334 is at -1.538233 -5.718399 -2.310495 ESP Fit Center 7335 is at -1.127339 -5.718399 -2.310495 ESP Fit Center 7336 is at -0.720271 -5.662449 -2.310495 ESP Fit Center 7337 is at -0.324614 -5.551591 -2.310495 ESP Fit Center 7338 is at 0.052263 -5.387890 -2.310495 ESP Fit Center 7339 is at 0.403339 -5.174396 -2.310495 ESP Fit Center 7340 is at 0.722075 -4.915085 -2.310495 ESP Fit Center 7341 is at 1.002532 -4.614789 -2.310495 ESP Fit Center 7342 is at 1.239487 -4.279100 -2.310495 ESP Fit Center 7343 is at 1.428525 -3.914273 -2.310495 ESP Fit Center 7344 is at -3.644722 -1.138616 -2.661856 ESP Fit Center 7345 is at -3.853827 -1.500797 -2.661856 ESP Fit Center 7346 is at -4.006617 -1.890099 -2.661856 ESP Fit Center 7347 is at -4.099678 -2.297825 -2.661856 ESP Fit Center 7348 is at -4.130931 -2.714867 -2.661856 ESP Fit Center 7349 is at -4.099678 -3.131909 -2.661856 ESP Fit Center 7350 is at -4.006617 -3.539635 -2.661856 ESP Fit Center 7351 is at -3.853827 -3.928936 -2.661856 ESP Fit Center 7352 is at -3.644722 -4.291118 -2.661856 ESP Fit Center 7353 is at -3.383971 -4.618089 -2.661856 ESP Fit Center 7354 is at -3.077401 -4.902545 -2.661856 ESP Fit Center 7355 is at -2.731858 -5.138132 -2.661856 ESP Fit Center 7356 is at -2.355063 -5.319587 -2.661856 ESP Fit Center 7357 is at -1.955432 -5.442857 -2.661856 ESP Fit Center 7358 is at -1.541891 -5.505188 -2.661856 ESP Fit Center 7359 is at -1.123680 -5.505188 -2.661856 ESP Fit Center 7360 is at -0.710140 -5.442857 -2.661856 ESP Fit Center 7361 is at -0.310509 -5.319587 -2.661856 ESP Fit Center 7362 is at 0.066287 -5.138132 -2.661856 ESP Fit Center 7363 is at 0.411829 -4.902545 -2.661856 ESP Fit Center 7364 is at 0.718400 -4.618089 -2.661856 ESP Fit Center 7365 is at 0.979150 -4.291118 -2.661856 ESP Fit Center 7366 is at 1.188256 -3.928936 -2.661856 ESP Fit Center 7367 is at -3.056424 -0.842496 -2.985053 ESP Fit Center 7368 is at -3.341098 -1.151734 -2.985053 ESP Fit Center 7369 is at -3.570991 -1.503611 -2.985053 ESP Fit Center 7370 is at -3.739831 -1.888527 -2.985053 ESP Fit Center 7371 is at -3.843013 -2.295984 -2.985053 ESP Fit Center 7372 is at -3.877722 -2.714867 -2.985053 ESP Fit Center 7373 is at -3.843013 -3.133750 -2.985053 ESP Fit Center 7374 is at -3.739831 -3.541206 -2.985053 ESP Fit Center 7375 is at -3.570991 -3.926123 -2.985053 ESP Fit Center 7376 is at -3.341098 -4.277999 -2.985053 ESP Fit Center 7377 is at -3.056424 -4.587237 -2.985053 ESP Fit Center 7378 is at -2.724734 -4.845402 -2.985053 ESP Fit Center 7379 is at -2.355075 -5.045452 -2.985053 ESP Fit Center 7380 is at -1.957531 -5.181929 -2.985053 ESP Fit Center 7381 is at -1.542945 -5.251111 -2.985053 ESP Fit Center 7382 is at -1.122627 -5.251111 -2.985053 ESP Fit Center 7383 is at -0.708041 -5.181929 -2.985053 ESP Fit Center 7384 is at -0.310496 -5.045452 -2.985053 ESP Fit Center 7385 is at 0.059163 -4.845402 -2.985053 ESP Fit Center 7386 is at 0.390853 -4.587237 -2.985053 ESP Fit Center 7387 is at 0.675527 -4.277999 -2.985053 ESP Fit Center 7388 is at 0.905419 -3.926123 -2.985053 ESP Fit Center 7389 is at 1.074259 -3.541206 -2.985053 ESP Fit Center 7390 is at -1.949791 -0.546318 -3.275373 ESP Fit Center 7391 is at -2.337755 -0.696616 -3.275373 ESP Fit Center 7392 is at -2.691496 -0.915644 -3.275373 ESP Fit Center 7393 is at -2.998968 -1.195941 -3.275373 ESP Fit Center 7394 is at -3.249700 -1.527964 -3.275373 ESP Fit Center 7395 is at -3.435154 -1.900405 -3.275373 ESP Fit Center 7396 is at -3.549014 -2.300582 -3.275373 ESP Fit Center 7397 is at -3.587403 -2.714867 -3.275373 ESP Fit Center 7398 is at -3.549014 -3.129152 -3.275373 ESP Fit Center 7399 is at -3.435154 -3.529328 -3.275373 ESP Fit Center 7400 is at -3.249700 -3.901770 -3.275373 ESP Fit Center 7401 is at -2.998968 -4.233792 -3.275373 ESP Fit Center 7402 is at -2.691496 -4.514090 -3.275373 ESP Fit Center 7403 is at -2.337755 -4.733117 -3.275373 ESP Fit Center 7404 is at -1.949791 -4.883415 -3.275373 ESP Fit Center 7405 is at -1.540816 -4.959866 -3.275373 ESP Fit Center 7406 is at -1.124756 -4.959866 -3.275373 ESP Fit Center 7407 is at -0.715781 -4.883415 -3.275373 ESP Fit Center 7408 is at -0.327817 -4.733117 -3.275373 ESP Fit Center 7409 is at 0.025925 -4.514090 -3.275373 ESP Fit Center 7410 is at 0.333396 -4.233792 -3.275373 ESP Fit Center 7411 is at 0.584128 -3.901770 -3.275373 ESP Fit Center 7412 is at 0.769582 -3.529328 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-4.421300 -3.528581 ESP Fit Center 7431 is at -0.082411 -4.186922 -3.528581 ESP Fit Center 7432 is at 0.204804 -3.883712 -3.528581 ESP Fit Center 7433 is at 0.420124 -3.525849 -3.528581 ESP Fit Center 7434 is at -0.923836 -1.188647 -3.740987 ESP Fit Center 7435 is at -1.332786 -1.134808 -3.740987 ESP Fit Center 7436 is at -1.741735 -1.188647 -3.740987 ESP Fit Center 7437 is at -2.122815 -1.346496 -3.740987 ESP Fit Center 7438 is at -2.450056 -1.597597 -3.740987 ESP Fit Center 7439 is at -2.701157 -1.924837 -3.740987 ESP Fit Center 7440 is at -2.859005 -2.305917 -3.740987 ESP Fit Center 7441 is at -2.912845 -2.714867 -3.740987 ESP Fit Center 7442 is at -2.859005 -3.123816 -3.740987 ESP Fit Center 7443 is at -2.701157 -3.504896 -3.740987 ESP Fit Center 7444 is at -2.450056 -3.832137 -3.740987 ESP Fit Center 7445 is at -2.122815 -4.083238 -3.740987 ESP Fit Center 7446 is at -1.741735 -4.241086 -3.740987 ESP Fit Center 7447 is at -1.332786 -4.294926 -3.740987 ESP Fit Center 7448 is at 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is at -1.542146 -3.902207 -3.909491 ESP Fit Center 7467 is at -1.123426 -3.902207 -3.909491 ESP Fit Center 7468 is at -0.729957 -3.758996 -3.909491 ESP Fit Center 7469 is at -0.409199 -3.489848 -3.909491 ESP Fit Center 7470 is at -0.199839 -3.127226 -3.909491 ESP Fit Center 7471 is at -0.519113 -2.714867 -4.031638 ESP Fit Center 7472 is at -0.628124 -2.308030 -4.031638 ESP Fit Center 7473 is at -0.925949 -2.010205 -4.031638 ESP Fit Center 7474 is at -1.332786 -1.901194 -4.031638 ESP Fit Center 7475 is at -1.739622 -2.010205 -4.031638 ESP Fit Center 7476 is at -2.037448 -2.308030 -4.031638 ESP Fit Center 7477 is at -2.146459 -2.714867 -4.031638 ESP Fit Center 7478 is at -2.037448 -3.121703 -4.031638 ESP Fit Center 7479 is at -1.739622 -3.419528 -4.031638 ESP Fit Center 7480 is at -1.332786 -3.528540 -4.031638 ESP Fit Center 7481 is at -0.925949 -3.419528 -4.031638 ESP Fit Center 7482 is at -0.628124 -3.121703 -4.031638 ESP Fit Center 7483 is at -0.922961 -2.714867 -4.105646 ESP Fit Center 7484 is at -1.127873 -2.359948 -4.105646 ESP Fit Center 7485 is at -1.537698 -2.359948 -4.105646 ESP Fit Center 7486 is at -1.742611 -2.714867 -4.105646 ESP Fit Center 7487 is at -1.537698 -3.069785 -4.105646 ESP Fit Center 7488 is at -1.127873 -3.069785 -4.105646 ESP Fit Center 7489 is at -1.332786 -2.714867 -4.130436 ESP Fit Center 7490 is at 3.718819 2.062296 1.838860 ESP Fit Center 7491 is at 3.594047 3.863121 -0.759959 ESP Fit Center 7492 is at 3.397581 4.244212 -0.759959 ESP Fit Center 7493 is at 3.132544 4.581234 -0.759959 ESP Fit Center 7494 is at 2.808514 4.862007 -0.759959 ESP Fit Center 7495 is at 2.437204 5.076383 -0.759959 ESP Fit Center 7496 is at 2.032032 5.216615 -0.759959 ESP Fit Center 7497 is at 1.607644 5.277633 -0.759959 ESP Fit Center 7498 is at 1.179377 5.257232 -0.759959 ESP Fit Center 7499 is at 3.713161 3.855413 -1.164051 ESP Fit Center 7500 is at 3.529311 4.237182 -1.164051 ESP Fit Center 7501 is at 3.280247 4.579988 -1.164051 ESP Fit Center 7502 is at 2.973976 4.872814 -1.164051 ESP Fit Center 7503 is at 2.620341 5.106246 -1.164051 ESP Fit Center 7504 is at 2.230708 5.272784 -1.164051 ESP Fit Center 7505 is at 1.817599 5.367073 -1.164051 ESP Fit Center 7506 is at 1.394294 5.386083 -1.164051 ESP Fit Center 7507 is at 0.974397 5.329204 -1.164051 ESP Fit Center 7508 is at 3.755596 3.845773 -1.580807 ESP Fit Center 7509 is at 3.578795 4.224925 -1.580807 ESP Fit Center 7510 is at 3.338841 4.567615 -1.580807 ESP Fit Center 7511 is at 3.043024 4.863431 -1.580807 ESP Fit Center 7512 is at 2.700334 5.103386 -1.580807 ESP Fit Center 7513 is at 2.321182 5.280187 -1.580807 ESP Fit Center 7514 is at 1.917090 5.388463 -1.580807 ESP Fit Center 7515 is at 1.500334 5.424925 -1.580807 ESP Fit Center 7516 is at 1.083578 5.388463 -1.580807 ESP Fit Center 7517 is at 0.679486 5.280187 -1.580807 ESP Fit Center 7518 is at 3.825890 3.446951 -1.997563 ESP Fit Center 7519 is at 3.713161 3.855413 -1.997563 ESP Fit Center 7520 is at 3.529311 4.237182 -1.997563 ESP Fit Center 7521 is at 3.280247 4.579988 -1.997563 ESP Fit Center 7522 is at 2.973976 4.872814 -1.997563 ESP Fit Center 7523 is at 2.620341 5.106246 -1.997563 ESP Fit Center 7524 is at 2.230708 5.272784 -1.997563 ESP Fit Center 7525 is at 1.817599 5.367073 -1.997563 ESP Fit Center 7526 is at 1.394294 5.386083 -1.997563 ESP Fit Center 7527 is at 0.974397 5.329204 -1.997563 ESP Fit Center 7528 is at 0.571404 5.198264 -1.997563 ESP Fit Center 7529 is at 3.714841 3.451736 -2.401655 ESP Fit Center 7530 is at 3.594047 3.863121 -2.401655 ESP Fit Center 7531 is at 3.397581 4.244212 -2.401655 ESP Fit Center 7532 is at 3.132544 4.581234 -2.401655 ESP Fit Center 7533 is at 2.808514 4.862007 -2.401655 ESP Fit Center 7534 is at 2.437204 5.076383 -2.401655 ESP Fit Center 7535 is at 2.032032 5.216615 -2.401655 ESP Fit Center 7536 is at 1.607644 5.277633 -2.401655 ESP Fit Center 7537 is at 1.179377 5.257232 -2.401655 ESP Fit Center 7538 is at 0.762710 5.156149 -2.401655 ESP Fit Center 7539 is at 0.372703 4.978039 -2.401655 ESP Fit Center 7540 is at 3.536249 3.443316 -2.780807 ESP Fit Center 7541 is at 3.410352 3.844578 -2.780807 ESP Fit Center 7542 is at 3.206259 4.212283 -2.780807 ESP Fit Center 7543 is at 2.932325 4.531378 -2.780807 ESP Fit Center 7544 is at 2.599765 4.788799 -2.780807 ESP Fit Center 7545 is at 2.222194 4.974006 -2.780807 ESP Fit Center 7546 is at 1.815071 5.079418 -2.780807 ESP Fit Center 7547 is at 1.395062 5.100718 -2.780807 ESP Fit Center 7548 is at 0.979362 5.037035 -2.780807 ESP Fit Center 7549 is at 0.584992 4.890976 -2.780807 ESP Fit Center 7550 is at 0.228096 4.668521 -2.780807 ESP Fit Center 7551 is at 3.338841 3.024925 -3.123497 ESP Fit Center 7552 is at 3.289283 3.448914 -3.123497 ESP Fit Center 7553 is at 3.143284 3.850045 -3.123497 ESP Fit Center 7554 is at 2.908712 4.206694 -3.123497 ESP Fit Center 7555 is at 2.598214 4.499634 -3.123497 ESP Fit Center 7556 is at 2.228529 4.713071 -3.123497 ESP Fit Center 7557 is at 1.819587 4.835500 -3.123497 ESP Fit Center 7558 is at 1.393434 4.860321 -3.123497 ESP Fit Center 7559 is at 0.973044 4.786195 -3.123497 ESP Fit Center 7560 is at 0.581081 4.617118 -3.123497 ESP Fit Center 7561 is at 3.043024 3.024925 -3.419314 ESP Fit Center 7562 is at 2.985817 3.441138 -3.419314 ESP Fit Center 7563 is at 2.818438 3.826482 -3.419314 ESP Fit Center 7564 is at 2.553302 4.152378 -3.419314 ESP Fit Center 7565 is at 2.210072 4.394657 -3.419314 ESP Fit Center 7566 is at 1.814204 4.535348 -3.419314 ESP Fit Center 7567 is at 1.395057 4.564019 -3.419314 ESP Fit Center 7568 is at 0.983718 4.478541 -3.419314 ESP Fit Center 7569 is at 0.610695 4.285256 -3.419314 ESP Fit Center 7570 is at 2.700334 3.024925 -3.659268 ESP Fit Center 7571 is at 2.627965 3.435349 -3.659268 ESP Fit Center 7572 is at 2.419587 3.796270 -3.659268 ESP Fit Center 7573 is at 2.100334 4.064155 -3.659268 ESP Fit Center 7574 is at 1.708712 4.206694 -3.659268 ESP Fit Center 7575 is at 1.291956 4.206694 -3.659268 ESP Fit Center 7576 is at 0.900334 4.064155 -3.659268 ESP Fit Center 7577 is at 2.321182 3.024925 -3.836069 ESP Fit Center 7578 is at 2.211209 3.435349 -3.836069 ESP Fit Center 7579 is at 1.910758 3.735800 -3.836069 ESP Fit Center 7580 is at 1.500334 3.845773 -3.836069 ESP Fit Center 7581 is at 1.708712 3.385846 -3.944346 ESP Fit Center 7582 is at 2.069527 -3.420565 -1.699205 ESP Fit Center 7583 is at 1.646843 -3.663380 -2.115961 ESP Fit Center 7584 is at 2.000479 -3.429947 -2.115961 ESP Fit Center 7585 is at 2.306750 -3.137122 -2.115961 ESP Fit Center 7586 is at 1.463706 -3.633517 -2.520054 ESP Fit Center 7587 is at 1.835017 -3.419141 -2.520054 ESP Fit Center 7588 is at 2.159046 -3.138368 -2.520054 ESP Fit Center 7589 is at 2.424084 -2.801345 -2.520054 ESP Fit Center 7590 is at 1.248697 -3.531140 -2.899205 ESP Fit Center 7591 is at 1.626267 -3.345932 -2.899205 ESP Fit Center 7592 is at 1.958827 -3.088512 -2.899205 ESP Fit Center 7593 is at 2.232761 -2.769417 -2.899205 ESP Fit Center 7594 is at 2.436854 -2.401712 -2.899205 ESP Fit Center 7595 is at 1.255032 -3.270205 -3.241896 ESP Fit Center 7596 is at 1.624716 -3.056767 -3.241896 ESP Fit Center 7597 is at 1.935214 -2.763828 -3.241896 ESP Fit Center 7598 is at 2.169786 -2.407179 -3.241896 ESP Fit Center 7599 is at 0.840706 -3.092482 -3.537712 ESP Fit Center 7600 is at 1.236574 -2.951790 -3.537712 ESP Fit Center 7601 is at 1.579804 -2.709512 -3.537712 ESP Fit Center 7602 is at 1.844941 -2.383616 -3.537712 ESP Fit Center 7603 is at 2.012320 -1.998271 -3.537712 ESP Fit Center 7604 is at 0.318459 -2.763828 -3.777666 ESP Fit Center 7605 is at 0.735214 -2.763828 -3.777666 ESP Fit Center 7606 is at 1.126836 -2.621289 -3.777666 ESP Fit Center 7607 is at 1.446090 -2.353404 -3.777666 ESP Fit Center 7608 is at 1.654468 -1.992483 -3.777666 ESP Fit Center 7609 is at -0.294012 -1.582058 -3.954468 ESP Fit Center 7610 is at -0.184039 -1.992483 -3.954468 ESP Fit Center 7611 is at 0.116412 -2.292934 -3.954468 ESP Fit Center 7612 is at 0.526836 -2.402907 -3.954468 ESP Fit Center 7613 is at 0.937261 -2.292934 -3.954468 ESP Fit Center 7614 is at 1.237712 -1.992483 -3.954468 ESP Fit Center 7615 is at 0.943592 -1.582058 -4.062744 ESP Fit Center 7616 is at 0.110081 -1.582058 -4.062744 ESP Fit Center 7617 is at 0.318459 -1.942979 -4.062744 ESP Fit Center 7618 is at 0.735214 -1.942979 -4.062744 ESP Fit Center 7619 is at 0.526836 -1.582058 -4.099205 ESP Fit Center 7620 is at -0.334478 0.728736 -3.757263 ESP Fit Center 7621 is at 2.398600 -0.687430 -3.757263 ESP Fit Center 7622 is at 2.280495 0.114127 -3.997217 ESP Fit Center 7623 is at 1.680495 1.153357 -3.997217 ESP Fit Center 7624 is at 0.161242 0.885472 -3.997217 ESP Fit Center 7625 is at -0.047136 0.524551 -3.997217 ESP Fit Center 7626 is at 1.999749 -0.657218 -3.997217 ESP Fit Center 7627 is at 2.208126 -0.296297 -3.997217 ESP Fit Center 7628 is at 1.901344 0.114127 -4.174018 ESP Fit Center 7629 is at 1.791371 0.524551 -4.174018 ESP Fit Center 7630 is at 1.490919 0.825002 -4.174018 ESP Fit Center 7631 is at 1.080495 0.934975 -4.174018 ESP Fit Center 7632 is at 0.670071 0.825002 -4.174018 ESP Fit Center 7633 is at 0.369620 0.524551 -4.174018 ESP Fit Center 7634 is at 0.259647 0.114127 -4.174018 ESP Fit Center 7635 is at 0.369620 -0.296297 -4.174018 ESP Fit Center 7636 is at 1.490919 -0.596749 -4.174018 ESP Fit Center 7637 is at 1.791371 -0.296297 -4.174018 ESP Fit Center 7638 is at 1.497251 0.114127 -4.282295 ESP Fit Center 7639 is at 1.288873 0.475048 -4.282295 ESP Fit Center 7640 is at 0.872117 0.475048 -4.282295 ESP Fit Center 7641 is at 0.663740 0.114127 -4.282295 ESP Fit Center 7642 is at 0.872117 -0.246794 -4.282295 ESP Fit Center 7643 is at 1.288873 -0.246794 -4.282295 ESP Fit Center 7644 is at 1.080495 0.114127 -4.318756 ESP Fit Center 7645 is at 2.944221 -3.207308 -1.586344 ESP Fit Center 7646 is at 3.300605 -2.988916 -1.586344 ESP Fit Center 7647 is at 2.648785 -3.108146 -1.936189 ESP Fit Center 7648 is at 3.019977 -2.920995 -1.936189 ESP Fit Center 7649 is at 2.645748 -2.828349 -2.253808 ESP Fit Center 7650 is at 3.006726 -2.619938 -2.253808 ESP Fit Center 7651 is at 2.960620 -2.276947 -2.533282 ESP Fit Center 7652 is at 0.724376 -2.518443 3.664709 ESP Fit Center 7653 is at 0.741053 -3.023635 3.476333 ESP Fit Center 7654 is at 1.117960 -3.218932 3.476333 ESP Fit Center 7655 is at 0.577479 -3.317215 3.240209 ESP Fit Center 7656 is at 0.939185 -3.508979 3.240209 ESP Fit Center 7657 is at 1.333659 -3.618504 3.240209 ESP Fit Center 7658 is at 0.543701 -3.648949 2.960734 ESP Fit Center 7659 is at 0.922855 -3.822103 2.960734 ESP Fit Center 7660 is at 1.327928 -3.920373 2.960734 ESP Fit Center 7661 is at 1.744278 -3.940206 2.960734 ESP Fit Center 7662 is at 2.156858 -3.880886 2.960734 ESP Fit Center 7663 is at 0.536546 -3.938662 2.643116 ESP Fit Center 7664 is at 0.922272 -4.093660 2.643116 ESP Fit Center 7665 is at 1.328645 -4.181240 2.643116 ESP Fit Center 7666 is at 1.743974 -4.198883 2.643116 ESP Fit Center 7667 is at 2.156310 -4.146081 2.643116 ESP Fit Center 7668 is at 2.553792 -4.024353 2.643116 ESP Fit Center 7669 is at 0.430680 -4.123516 2.293270 ESP Fit Center 7670 is at 0.816840 -4.283468 2.293270 ESP Fit Center 7671 is at 1.223267 -4.381043 2.293270 ESP Fit Center 7672 is at 1.639955 -4.413837 2.293270 ESP Fit Center 7673 is at 0.347430 -4.264158 1.917714 ESP Fit Center 7674 is at 0.727242 -4.425561 1.917714 ESP Fit Center 7675 is at 1.126507 -4.529942 1.917714 ESP Fit Center 7676 is at 0.539640 -4.473554 1.523443 ESP Fit Center 7677 is at 2.615347 -0.220707 4.747984 ESP Fit Center 7678 is at 2.210652 -0.329145 4.747984 ESP Fit Center 7679 is at 3.212949 0.004979 4.610866 ESP Fit Center 7680 is at 2.822892 0.146948 4.610866 ESP Fit Center 7681 is at 2.407802 0.146948 4.610866 ESP Fit Center 7682 is at 2.017745 0.004979 4.610866 ESP Fit Center 7683 is at 1.699768 -0.261836 4.610866 ESP Fit Center 7684 is at 1.492223 -0.621314 4.610866 ESP Fit Center 7685 is at 3.947175 -0.220195 4.422490 ESP Fit Center 7686 is at 3.679278 0.109094 4.422490 ESP Fit Center 7687 is at 3.332474 0.353895 4.422490 ESP Fit Center 7688 is at 2.932484 0.496051 4.422490 ESP Fit Center 7689 is at 2.508974 0.525020 4.422490 ESP Fit Center 7690 is at 1.406206 -0.046388 4.422490 ESP Fit Center 7691 is at 1.185642 -0.409089 4.422490 ESP Fit Center 7692 is at 1.071113 -0.817848 4.422490 ESP Fit Center 7693 is at 1.071113 -1.242348 4.422490 ESP Fit Center 7694 is at 4.333627 -0.235137 4.186366 ESP Fit Center 7695 is at 4.122561 0.115657 4.186366 ESP Fit Center 7696 is at 3.841020 0.412876 4.186366 ESP Fit Center 7697 is at 3.502168 0.642624 4.186366 ESP Fit Center 7698 is at 3.121849 0.794157 4.186366 ESP Fit Center 7699 is at 0.993090 -0.054018 4.186366 ESP Fit Center 7700 is at 0.821189 -0.425576 4.186366 ESP Fit Center 7701 is at 0.733181 -0.825400 4.186366 ESP Fit Center 7702 is at 0.733181 -1.234796 4.186366 ESP Fit Center 7703 is at 0.821189 -1.634620 4.186366 ESP Fit Center 7704 is at 4.768233 -0.615163 3.906891 ESP Fit Center 7705 is at 4.650801 -0.215225 3.906891 ESP Fit Center 7706 is at 4.459802 0.155261 3.906891 ESP Fit Center 7707 is at 4.202140 0.482906 3.906891 ESP Fit Center 7708 is at 3.887126 0.755866 3.906891 ESP Fit Center 7709 is at 3.526148 0.964278 3.906891 ESP Fit Center 7710 is at 0.511651 -0.412397 3.906891 ESP Fit Center 7711 is at 0.432767 -0.821687 3.906891 ESP Fit Center 7712 is at 0.432767 -1.238509 3.906891 ESP Fit Center 7713 is at 0.511651 -1.647799 3.906891 ESP Fit Center 7714 is at 0.666568 -2.034763 3.906891 ESP Fit Center 7715 is at 4.234601 0.809732 3.589273 ESP Fit Center 7716 is at 3.900377 1.056923 3.589273 ESP Fit Center 7717 is at 0.243521 -0.412522 3.589273 ESP Fit Center 7718 is at 0.173267 -0.822246 3.589273 ESP Fit Center 7719 is at 3.824621 1.343237 3.239427 ESP Fit Center 7720 is at 0.082060 -0.206983 3.239427 ESP Fit Center 7721 is at 5.000796 -0.830003 3.671593 ESP Fit Center 7722 is at 4.928717 -0.421220 3.671593 ESP Fit Center 7723 is at 5.306542 -1.250549 3.483217 ESP Fit Center 7724 is at 5.312807 -1.975758 3.247093 ESP Fit Center 7725 is at 5.523873 -1.624964 3.247093 ESP Fit Center 7726 is at 5.654594 -1.236999 3.247093 ESP Fit Center 7727 is at 5.077373 -2.615967 2.967618 ESP Fit Center 7728 is at 5.392386 -2.343007 2.967618 ESP Fit Center 7729 is at 5.650048 -2.015362 2.967618 ESP Fit Center 7730 is at 5.841047 -1.644876 2.967618 ESP Fit Center 7731 is at 4.719431 -3.104175 2.650000 ESP Fit Center 7732 is at 5.090623 -2.917024 2.650000 ESP Fit Center 7733 is at 5.424847 -2.669833 2.650000 ESP Fit Center 7734 is at 5.712489 -2.369714 2.650000 ESP Fit Center 7735 is at 5.945272 -2.025299 2.650000 ESP Fit Center 7736 is at 6.116501 -1.646499 2.650000 ESP Fit Center 7737 is at 5.689082 -2.713492 2.300154 ESP Fit Center 7738 is at 5.960536 -2.395661 2.300154 ESP Fit Center 7739 is at 6.178928 -2.039278 2.300154 ESP Fit Center 7740 is at 6.338880 -1.653118 2.300154 ESP Fit Center 7741 is at 3.702353 1.994894 1.924598 ESP Fit Center 7742 is at 6.163124 -2.389731 1.924598 ESP Fit Center 7743 is at 6.365099 -2.029850 1.924598 ESP Fit Center 7744 is at 6.512522 -1.644397 1.924598 ESP Fit Center 7745 is at 3.908102 2.105460 1.530327 ESP Fit Center 7746 is at 6.488907 -2.024691 1.530327 ESP Fit Center 7747 is at 6.629061 -1.639620 1.530327 ESP Fit Center 7748 is at 6.682656 -1.654988 1.124686 ESP Fit Center 7749 is at 6.769472 -1.246549 1.124686 ESP Fit Center 7750 is at 6.682656 -1.654988 0.715232 ESP Fit Center 7751 is at 6.769472 -1.246549 0.715232 ESP Fit Center 7752 is at 6.742845 -0.830003 0.309591 ESP Fit Center 7753 is at 6.629061 -1.639620 0.309591 ESP Fit Center 7754 is at 6.714260 -1.238790 0.309591 ESP Fit Center 7755 is at 6.632376 -0.830003 -0.084680 ESP Fit Center 7756 is at 6.602252 -0.418420 -0.084680 ESP Fit Center 7757 is at 6.512522 -1.644397 -0.084680 ESP Fit Center 7758 is at 6.602252 -1.241586 -0.084680 ESP Fit Center 7759 is at 6.469249 -0.830003 -0.460236 ESP Fit Center 7760 is at 6.436455 -0.413316 -0.460236 ESP Fit Center 7761 is at 6.338880 -1.653118 -0.460236 ESP Fit Center 7762 is at 6.436455 -1.246691 -0.460236 ESP Fit Center 7763 is at 6.256503 -0.830003 -0.810082 ESP Fit Center 7764 is at 6.116501 -1.646499 -0.810082 ESP Fit Center 7765 is at 6.221249 -1.244209 -0.810082 ESP Fit Center 7766 is at 5.841047 -1.644876 -1.127701 ESP Fit Center 7767 is at 5.958480 -1.244938 -1.127701 ESP Fit Center 7768 is at 5.523873 -1.624964 -1.407175 ESP Fit Center 7769 is at 3.446210 -2.904454 -1.604915 ESP Fit Center 7770 is at 3.852637 -2.806880 -1.604915 ESP Fit Center 7771 is at 5.184465 -1.839250 -1.604915 ESP Fit Center 7772 is at 3.545878 -2.669492 -1.954761 ESP Fit Center 7773 is at 3.943360 -2.547765 -1.954761 ESP Fit Center 7774 is at 4.314552 -2.360614 -1.954761 ESP Fit Center 7775 is at 4.648776 -2.113423 -1.954761 ESP Fit Center 7776 is at 3.546425 -2.404297 -2.272379 ESP Fit Center 7777 is at 3.940323 -2.267968 -2.272379 ESP Fit Center 7778 is at 4.301301 -2.059557 -2.272379 ESP Fit Center 7779 is at 3.132021 -2.164080 -2.551854 ESP Fit Center 7780 is at 3.536024 -2.097847 -2.551854 ESP Fit Center 7781 is at 0.211851 -1.874573 3.684541 ESP Fit Center 7782 is at 0.420229 -2.235494 3.684541 ESP Fit Center 7783 is at -0.082269 -1.464149 3.576264 ESP Fit Center 7784 is at -0.192241 -1.874573 3.576264 ESP Fit Center 7785 is at -0.082269 -2.284997 3.576264 ESP Fit Center 7786 is at 0.218183 -2.585449 3.576264 ESP Fit Center 7787 is at 0.628607 -2.695422 3.576264 ESP Fit Center 7788 is at 0.028607 -0.835343 3.399463 ESP Fit Center 7789 is at -0.290646 -1.103228 3.399463 ESP Fit Center 7790 is at -0.499024 -1.464149 3.399463 ESP Fit Center 7791 is at -0.571393 -1.874573 3.399463 ESP Fit Center 7792 is at -0.499024 -2.284997 3.399463 ESP Fit Center 7793 is at -0.290646 -2.645918 3.399463 ESP Fit Center 7794 is at 0.028607 -2.913804 3.399463 ESP Fit Center 7795 is at 0.420229 -3.056342 3.399463 ESP Fit Center 7796 is at -0.261032 -0.614242 3.159509 ESP Fit Center 7797 is at -0.568075 -0.901000 3.159509 ESP Fit Center 7798 is at -0.786366 -1.259964 3.159509 ESP Fit Center 7799 is at -0.899715 -1.664510 3.159509 ESP Fit Center 7800 is at -0.899715 -2.084636 3.159509 ESP Fit Center 7801 is at -0.786366 -2.489183 3.159509 ESP Fit Center 7802 is at -0.568075 -2.848146 3.159509 ESP Fit Center 7803 is at -0.261032 -3.134905 3.159509 ESP Fit Center 7804 is at 0.111991 -3.328190 3.159509 ESP Fit Center 7805 is at 0.523330 -3.413667 3.159509 ESP Fit Center 7806 is at -0.290646 -0.282380 2.863692 ESP Fit Center 7807 is at -0.633053 -0.537292 2.863692 ESP Fit Center 7808 is at -0.907443 -0.864297 2.863692 ESP Fit Center 7809 is at -1.099024 -1.245767 2.863692 ESP Fit Center 7810 is at -1.197468 -1.661136 2.863692 ESP Fit Center 7811 is at -1.197468 -2.088011 2.863692 ESP Fit Center 7812 is at -1.099024 -2.503380 2.863692 ESP Fit Center 7813 is at -0.907443 -2.884849 2.863692 ESP Fit Center 7814 is at -0.633053 -3.211854 2.863692 ESP Fit Center 7815 is at -0.290646 -3.466767 2.863692 ESP Fit Center 7816 is at 0.101317 -3.635843 2.863692 ESP Fit Center 7817 is at -0.286735 -0.008522 2.521002 ESP Fit Center 7818 is at -0.643631 -0.230977 2.521002 ESP Fit Center 7819 is at -0.643631 -3.518170 2.521002 ESP Fit Center 7820 is at -0.286735 -3.740625 2.521002 ESP Fit Center 7821 is at 0.107635 -3.886684 2.521002 ESP Fit Center 7822 is at 2.373277 -4.231830 2.457768 ESP Fit Center 7823 is at 2.769145 -4.091138 2.457768 ESP Fit Center 7824 is at 1.532118 -4.482677 2.161951 ESP Fit Center 7825 is at 1.952508 -4.556803 2.161951 ESP Fit Center 7826 is at 2.378661 -4.531982 2.161951 ESP Fit Center 7827 is at 2.787603 -4.409553 2.161951 ESP Fit Center 7828 is at 3.157288 -4.196115 2.161951 ESP Fit Center 7829 is at 3.467785 -3.903176 2.161951 ESP Fit Center 7830 is at 1.144066 -4.587458 1.819261 ESP Fit Center 7831 is at 1.538436 -4.733517 1.819261 ESP Fit Center 7832 is at 1.954135 -4.797200 1.819261 ESP Fit Center 7833 is at 2.374144 -4.775899 1.819261 ESP Fit Center 7834 is at 2.781268 -4.670488 1.819261 ESP Fit Center 7835 is at 3.158839 -4.485281 1.819261 ESP Fit Center 7836 is at 3.491398 -4.227860 1.819261 ESP Fit Center 7837 is at 3.765332 -3.908765 1.819261 ESP Fit Center 7838 is at 0.931776 -4.674521 1.440109 ESP Fit Center 7839 is at 1.321784 -4.852631 1.440109 ESP Fit Center 7840 is at 1.738450 -4.953714 1.440109 ESP Fit Center 7841 is at 2.166717 -4.974114 1.440109 ESP Fit Center 7842 is at 2.591106 -4.913097 1.440109 ESP Fit Center 7843 is at 2.996277 -4.772865 1.440109 ESP Fit Center 7844 is at 3.367588 -4.558489 1.440109 ESP Fit Center 7845 is at 3.691618 -4.277716 1.440109 ESP Fit Center 7846 is at 1.130478 -4.894746 1.036017 ESP Fit Center 7847 is at 1.533471 -5.025686 1.036017 ESP Fit Center 7848 is at 1.953368 -5.082565 1.036017 ESP Fit Center 7849 is at 2.376673 -5.063555 1.036017 ESP Fit Center 7850 is at 2.789781 -4.969265 1.036017 ESP Fit Center 7851 is at 3.179415 -4.802728 1.036017 ESP Fit Center 7852 is at 3.533050 -4.569295 1.036017 ESP Fit Center 7853 is at 3.839321 -4.276470 1.036017 ESP Fit Center 7854 is at 1.238559 -4.976669 0.619261 ESP Fit Center 7855 is at 1.642652 -5.084945 0.619261 ESP Fit Center 7856 is at 2.059408 -5.121407 0.619261 ESP Fit Center 7857 is at 2.476163 -5.084945 0.619261 ESP Fit Center 7858 is at 2.880256 -4.976669 0.619261 ESP Fit Center 7859 is at 3.259408 -4.799868 0.619261 ESP Fit Center 7860 is at 3.602098 -4.559913 0.619261 ESP Fit Center 7861 is at 3.897914 -4.264097 0.619261 ESP Fit Center 7862 is at 1.130478 -4.894746 0.202505 ESP Fit Center 7863 is at 1.533471 -5.025686 0.202505 ESP Fit Center 7864 is at 1.953368 -5.082565 0.202505 ESP Fit Center 7865 is at 2.376673 -5.063555 0.202505 ESP Fit Center 7866 is at 2.789781 -4.969265 0.202505 ESP Fit Center 7867 is at 3.179415 -4.802728 0.202505 ESP Fit Center 7868 is at 3.533050 -4.569295 0.202505 ESP Fit Center 7869 is at 3.839321 -4.276470 0.202505 ESP Fit Center 7870 is at 1.321784 -4.852631 -0.201587 ESP Fit Center 7871 is at 1.738450 -4.953714 -0.201587 ESP Fit Center 7872 is at 2.166717 -4.974114 -0.201587 ESP Fit Center 7873 is at 2.591106 -4.913097 -0.201587 ESP Fit Center 7874 is at 2.996277 -4.772865 -0.201587 ESP Fit Center 7875 is at 3.367588 -4.558489 -0.201587 ESP Fit Center 7876 is at 3.691618 -4.277716 -0.201587 ESP Fit Center 7877 is at 1.538436 -4.733517 -0.580739 ESP Fit Center 7878 is at 1.954135 -4.797200 -0.580739 ESP Fit Center 7879 is at 2.374144 -4.775899 -0.580739 ESP Fit Center 7880 is at 2.781268 -4.670488 -0.580739 ESP Fit Center 7881 is at 3.158839 -4.485281 -0.580739 ESP Fit Center 7882 is at 3.491398 -4.227860 -0.580739 ESP Fit Center 7883 is at 3.765332 -3.908765 -0.580739 ESP Fit Center 7884 is at 1.952508 -4.556803 -0.923429 ESP Fit Center 7885 is at 2.378661 -4.531982 -0.923429 ESP Fit Center 7886 is at 2.787603 -4.409553 -0.923429 ESP Fit Center 7887 is at 3.157288 -4.196115 -0.923429 ESP Fit Center 7888 is at 3.467785 -3.903176 -0.923429 ESP Fit Center 7889 is at 1.954131 -4.260500 -1.219246 ESP Fit Center 7890 is at 2.373277 -4.231830 -1.219246 ESP Fit Center 7891 is at 2.769145 -4.091138 -1.219246 ESP Fit Center 7892 is at 3.112376 -3.848860 -1.219246 ESP Fit Center 7893 is at 3.377512 -3.522964 -1.219246 ESP Fit Center 7894 is at 1.851030 -3.903176 -1.459200 ESP Fit Center 7895 is at 2.267785 -3.903176 -1.459200 ESP Fit Center 7896 is at 2.659408 -3.760637 -1.459200 ESP Fit Center 7897 is at 2.978661 -3.492752 -1.459200 ESP Fit Center 7898 is at 2.059408 -3.542255 -1.636001 ESP Fit Center 7899 is at 2.469832 -3.432282 -1.636001 ESP Fit Center 7900 is at 1.986324 0.314581 4.470211 ESP Fit Center 7901 is at 2.605126 0.664536 4.361935 ESP Fit Center 7902 is at 2.194702 0.774509 4.361935 ESP Fit Center 7903 is at 1.784278 0.664536 4.361935 ESP Fit Center 7904 is at 1.483827 0.364085 4.361935 ESP Fit Center 7905 is at 2.794702 0.992891 4.185133 ESP Fit Center 7906 is at 2.403080 1.135430 4.185133 ESP Fit Center 7907 is at 1.986324 1.135430 4.185133 ESP Fit Center 7908 is at 1.594702 0.992891 4.185133 ESP Fit Center 7909 is at 1.275449 0.725006 4.185133 ESP Fit Center 7910 is at 1.067071 0.364085 4.185133 ESP Fit Center 7911 is at 0.994702 -0.046339 4.185133 ESP Fit Center 7912 is at 3.247670 1.081114 3.945179 ESP Fit Center 7913 is at 2.904440 1.323392 3.945179 ESP Fit Center 7914 is at 2.508572 1.464084 3.945179 ESP Fit Center 7915 is at 2.089425 1.492754 3.945179 ESP Fit Center 7916 is at 1.678087 1.407277 3.945179 ESP Fit Center 7917 is at 1.305063 1.213992 3.945179 ESP Fit Center 7918 is at 0.998020 0.927234 3.945179 ESP Fit Center 7919 is at 0.779729 0.568270 3.945179 ESP Fit Center 7920 is at 0.666381 0.163723 3.945179 ESP Fit Center 7921 is at 3.292582 1.428369 3.649363 ESP Fit Center 7922 is at 2.922898 1.641807 3.649363 ESP Fit Center 7923 is at 2.513956 1.764236 3.649363 ESP Fit Center 7924 is at 2.087803 1.789057 3.649363 ESP Fit Center 7925 is at 0.933042 1.290942 3.649363 ESP Fit Center 7926 is at 0.658652 0.963936 3.649363 ESP Fit Center 7927 is at 0.467071 0.582467 3.649363 ESP Fit Center 7928 is at 0.368627 0.167098 3.649363 ESP Fit Center 7929 is at 3.626693 1.460114 3.306672 ESP Fit Center 7930 is at 3.294133 1.717534 3.306672 ESP Fit Center 7931 is at 2.916563 1.902742 3.306672 ESP Fit Center 7932 is at 0.211561 0.575875 3.306672 ESP Fit Center 7933 is at 0.126905 0.163935 3.306672 ESP Fit Center 7934 is at 3.826912 1.509970 2.927521 ESP Fit Center 7935 is at 3.502883 1.790743 2.927521 ESP Fit Center 7936 is at 3.131572 2.005119 2.927521 ESP Fit Center 7937 is at -0.050348 0.168037 2.927521 ESP Fit Center 7938 is at 3.668345 1.801549 2.523428 ESP Fit Center 7939 is at -0.159321 0.165526 2.523428 ESP Fit Center 7940 is at 2.851948 -1.586295 5.176506 ESP Fit Center 7941 is at 3.268703 -1.586295 5.140045 ESP Fit Center 7942 is at 3.060326 -1.225374 5.140045 ESP Fit Center 7943 is at 2.643570 -1.225374 5.140045 ESP Fit Center 7944 is at 2.435192 -1.586295 5.140045 ESP Fit Center 7945 is at 2.643570 -1.947216 5.140045 ESP Fit Center 7946 is at 3.060326 -1.947216 5.140045 ESP Fit Center 7947 is at 3.672796 -1.586295 5.031769 ESP Fit Center 7948 is at 3.562823 -1.175871 5.031769 ESP Fit Center 7949 is at 3.262372 -0.875420 5.031769 ESP Fit Center 7950 is at 2.851948 -0.765447 5.031769 ESP Fit Center 7951 is at 2.441524 -0.875420 5.031769 ESP Fit Center 7952 is at 2.141072 -1.175871 5.031769 ESP Fit Center 7953 is at 2.031099 -1.586295 5.031769 ESP Fit Center 7954 is at 2.141072 -1.996719 5.031769 ESP Fit Center 7955 is at 2.441524 -2.297171 5.031769 ESP Fit Center 7956 is at 2.851948 -2.407144 5.031769 ESP Fit Center 7957 is at 3.262372 -2.297171 5.031769 ESP Fit Center 7958 is at 3.562823 -1.996719 5.031769 ESP Fit Center 7959 is at 4.051948 -1.586295 4.854967 ESP Fit Center 7960 is at 3.979579 -1.175871 4.854967 ESP Fit Center 7961 is at 3.771201 -0.814950 4.854967 ESP Fit Center 7962 is at 3.451948 -0.547065 4.854967 ESP Fit Center 7963 is at 3.060326 -0.404526 4.854967 ESP Fit Center 7964 is at 2.643570 -0.404526 4.854967 ESP Fit Center 7965 is at 2.251948 -0.547065 4.854967 ESP Fit Center 7966 is at 1.932694 -0.814950 4.854967 ESP Fit Center 7967 is at 1.724317 -1.175871 4.854967 ESP Fit Center 7968 is at 1.651948 -1.586295 4.854967 ESP Fit Center 7969 is at 1.724317 -1.996719 4.854967 ESP Fit Center 7970 is at 1.932694 -2.357640 4.854967 ESP Fit Center 7971 is at 2.251948 -2.625526 4.854967 ESP Fit Center 7972 is at 2.643570 -2.768064 4.854967 ESP Fit Center 7973 is at 3.060326 -2.768064 4.854967 ESP Fit Center 7974 is at 3.451948 -2.625526 4.854967 ESP Fit Center 7975 is at 3.771201 -2.357640 4.854967 ESP Fit Center 7976 is at 3.979579 -1.996719 4.854967 ESP Fit Center 7977 is at 4.394638 -1.586295 4.615013 ESP Fit Center 7978 is at 4.337431 -1.170082 4.615013 ESP Fit Center 7979 is at 4.170052 -0.784738 4.615013 ESP Fit Center 7980 is at 3.904916 -0.458842 4.615013 ESP Fit Center 7981 is at 3.561686 -0.216563 4.615013 ESP Fit Center 7982 is at 1.323626 -1.376232 4.615013 ESP Fit Center 7983 is at 1.323626 -1.796358 4.615013 ESP Fit Center 7984 is at 1.436975 -2.200905 4.615013 ESP Fit Center 7985 is at 1.655266 -2.559868 4.615013 ESP Fit Center 7986 is at 1.962309 -2.846627 4.615013 ESP Fit Center 7987 is at 2.335332 -3.039912 4.615013 ESP Fit Center 7988 is at 2.746671 -3.125389 4.615013 ESP Fit Center 7989 is at 3.165817 -3.096719 4.615013 ESP Fit Center 7990 is at 3.561686 -2.956027 4.615013 ESP Fit Center 7991 is at 3.904916 -2.713749 4.615013 ESP Fit Center 7992 is at 4.170052 -2.387852 4.615013 ESP Fit Center 7993 is at 4.337431 -2.002508 4.615013 ESP Fit Center 7994 is at 4.690454 -1.586295 4.319197 ESP Fit Center 7995 is at 4.640897 -1.162306 4.319197 ESP Fit Center 7996 is at 4.494897 -0.761175 4.319197 ESP Fit Center 7997 is at 4.260326 -0.404526 4.319197 ESP Fit Center 7998 is at 1.025872 -1.799733 4.319197 ESP Fit Center 7999 is at 1.124317 -2.215101 4.319197 ESP Fit Center 8000 is at 1.315898 -2.596571 4.319197 ESP Fit Center 8001 is at 1.590288 -2.923576 4.319197 ESP Fit Center 8002 is at 1.932694 -3.178489 4.319197 ESP Fit Center 8003 is at 2.324658 -3.347565 4.319197 ESP Fit Center 8004 is at 2.745048 -3.421691 4.319197 ESP Fit Center 8005 is at 3.171201 -3.396871 4.319197 ESP Fit Center 8006 is at 3.580143 -3.274442 4.319197 ESP Fit Center 8007 is at 3.949828 -3.061004 4.319197 ESP Fit Center 8008 is at 4.260326 -2.768064 4.319197 ESP Fit Center 8009 is at 4.494897 -2.411415 4.319197 ESP Fit Center 8010 is at 4.640897 -2.010284 4.319197 ESP Fit Center 8011 is at 4.930409 -1.586295 3.976506 ESP Fit Center 8012 is at 4.887863 -1.167904 3.976506 ESP Fit Center 8013 is at 4.761966 -0.766642 3.976506 ESP Fit Center 8014 is at 1.034652 -2.594976 3.976506 ESP Fit Center 8015 is at 1.274899 -2.940147 3.976506 ESP Fit Center 8016 is at 1.579709 -3.229892 3.976506 ESP Fit Center 8017 is at 1.936606 -3.452347 3.976506 ESP Fit Center 8018 is at 2.330976 -3.598406 3.976506 ESP Fit Center 8019 is at 2.746675 -3.662088 3.976506 ESP Fit Center 8020 is at 3.166685 -3.640788 3.976506 ESP Fit Center 8021 is at 3.573808 -3.535376 3.976506 ESP Fit Center 8022 is at 3.951379 -3.350169 3.976506 ESP Fit Center 8023 is at 4.283939 -3.092749 3.976506 ESP Fit Center 8024 is at 4.557873 -2.773654 3.976506 ESP Fit Center 8025 is at 4.761966 -2.405948 3.976506 ESP Fit Center 8026 is at 4.887863 -2.004686 3.976506 ESP Fit Center 8027 is at 5.107210 -1.586295 3.597355 ESP Fit Center 8028 is at 1.079192 -2.980406 3.597355 ESP Fit Center 8029 is at 1.375065 -3.290709 3.597355 ESP Fit Center 8030 is at 1.724317 -3.539410 3.597355 ESP Fit Center 8031 is at 2.114324 -3.717520 3.597355 ESP Fit Center 8032 is at 2.530991 -3.818602 3.597355 ESP Fit Center 8033 is at 2.959257 -3.839003 3.597355 ESP Fit Center 8034 is at 3.383646 -3.777985 3.597355 ESP Fit Center 8035 is at 3.788818 -3.637754 3.597355 ESP Fit Center 8036 is at 4.160128 -3.423378 3.597355 ESP Fit Center 8037 is at 4.484158 -3.142604 3.597355 ESP Fit Center 8038 is at 4.749195 -2.805582 3.597355 ESP Fit Center 8039 is at 4.945661 -2.424491 3.597355 ESP Fit Center 8040 is at 5.066455 -2.013106 3.597355 ESP Fit Center 8041 is at 1.923018 -3.759635 3.193262 ESP Fit Center 8042 is at 2.326011 -3.890575 3.193262 ESP Fit Center 8043 is at 2.745908 -3.947454 3.193262 ESP Fit Center 8044 is at 3.169213 -3.928443 3.193262 ESP Fit Center 8045 is at 3.582321 -3.834154 3.193262 ESP Fit Center 8046 is at 3.971955 -3.667617 3.193262 ESP Fit Center 8047 is at 4.325590 -3.434184 3.193262 ESP Fit Center 8048 is at 4.631861 -3.141359 3.193262 ESP Fit Center 8049 is at 4.880925 -2.798552 3.193262 ESP Fit Center 8050 is at 5.064775 -2.416783 3.193262 ESP Fit Center 8051 is at 2.851948 -3.986295 2.776506 ESP Fit Center 8052 is at 3.268703 -3.949834 2.776506 ESP Fit Center 8053 is at 3.672796 -3.841557 2.776506 ESP Fit Center 8054 is at 4.051948 -3.664756 2.776506 ESP Fit Center 8055 is at 4.394638 -3.424802 2.776506 ESP Fit Center 8056 is at 4.690454 -3.128985 2.776506 ESP Fit Center 8057 is at 3.582321 -3.834154 2.359751 ESP Fit Center 8058 is at 3.971955 -3.667617 2.359751 ESP Fit Center 8059 is at 5.024808 -0.182553 3.663658 ESP Fit Center 8060 is at 4.816430 0.178368 3.663658 ESP Fit Center 8061 is at 5.428901 -0.182553 3.555381 ESP Fit Center 8062 is at 5.318928 0.227871 3.555381 ESP Fit Center 8063 is at 5.018477 0.528322 3.555381 ESP Fit Center 8064 is at 4.608052 0.638295 3.555381 ESP Fit Center 8065 is at 5.318928 -0.592978 3.555381 ESP Fit Center 8066 is at 5.808052 -0.182553 3.378580 ESP Fit Center 8067 is at 5.735684 0.227871 3.378580 ESP Fit Center 8068 is at 5.527306 0.588792 3.378580 ESP Fit Center 8069 is at 5.208052 0.856677 3.378580 ESP Fit Center 8070 is at 4.816430 0.999216 3.378580 ESP Fit Center 8071 is at 4.399675 0.999216 3.378580 ESP Fit Center 8072 is at 5.527306 -0.953899 3.378580 ESP Fit Center 8073 is at 5.735684 -0.592978 3.378580 ESP Fit Center 8074 is at 6.150743 -0.182553 3.138626 ESP Fit Center 8075 is at 6.093536 0.233659 3.138626 ESP Fit Center 8076 is at 5.926157 0.619004 3.138626 ESP Fit Center 8077 is at 5.661021 0.944900 3.138626 ESP Fit Center 8078 is at 5.317790 1.187179 3.138626 ESP Fit Center 8079 is at 4.921922 1.327870 3.138626 ESP Fit Center 8080 is at 4.502776 1.356541 3.138626 ESP Fit Center 8081 is at 4.091437 1.271063 3.138626 ESP Fit Center 8082 is at 5.926157 -0.984110 3.138626 ESP Fit Center 8083 is at 6.093536 -0.598766 3.138626 ESP Fit Center 8084 is at 6.446559 -0.182553 2.842809 ESP Fit Center 8085 is at 6.397002 0.241435 2.842809 ESP Fit Center 8086 is at 6.251002 0.642567 2.842809 ESP Fit Center 8087 is at 6.016430 0.999216 2.842809 ESP Fit Center 8088 is at 5.705933 1.292155 2.842809 ESP Fit Center 8089 is at 5.336248 1.505593 2.842809 ESP Fit Center 8090 is at 4.927306 1.628022 2.842809 ESP Fit Center 8091 is at 4.501153 1.652843 2.842809 ESP Fit Center 8092 is at 4.080763 1.578717 2.842809 ESP Fit Center 8093 is at 6.251002 -1.007674 2.842809 ESP Fit Center 8094 is at 6.397002 -0.606542 2.842809 ESP Fit Center 8095 is at 6.686513 -0.182553 2.500119 ESP Fit Center 8096 is at 6.643967 0.235838 2.500119 ESP Fit Center 8097 is at 6.518070 0.637100 2.500119 ESP Fit Center 8098 is at 6.313977 1.004805 2.500119 ESP Fit Center 8099 is at 6.040043 1.323900 2.500119 ESP Fit Center 8100 is at 5.707484 1.581321 2.500119 ESP Fit Center 8101 is at 5.329913 1.766528 2.500119 ESP Fit Center 8102 is at 4.922789 1.871939 2.500119 ESP Fit Center 8103 is at 4.502780 1.893240 2.500119 ESP Fit Center 8104 is at 4.087081 1.829557 2.500119 ESP Fit Center 8105 is at 6.313977 -1.369912 2.500119 ESP Fit Center 8106 is at 6.518070 -1.002207 2.500119 ESP Fit Center 8107 is at 6.643967 -0.600944 2.500119 ESP Fit Center 8108 is at 6.863315 -0.182553 2.120968 ESP Fit Center 8109 is at 6.822559 0.244258 2.120968 ESP Fit Center 8110 is at 6.701766 0.655643 2.120968 ESP Fit Center 8111 is at 6.505300 1.036733 2.120968 ESP Fit Center 8112 is at 6.240263 1.373756 2.120968 ESP Fit Center 8113 is at 5.916233 1.654529 2.120968 ESP Fit Center 8114 is at 5.544922 1.868905 2.120968 ESP Fit Center 8115 is at 5.139751 2.009137 2.120968 ESP Fit Center 8116 is at 4.715362 2.070154 2.120968 ESP Fit Center 8117 is at 4.287095 2.049754 2.120968 ESP Fit Center 8118 is at 3.870428 1.948671 2.120968 ESP Fit Center 8119 is at 6.505300 -1.401840 2.120968 ESP Fit Center 8120 is at 6.701766 -1.020750 2.120968 ESP Fit Center 8121 is at 6.822559 -0.609365 2.120968 ESP Fit Center 8122 is at 6.971591 -0.182553 1.716875 ESP Fit Center 8123 is at 6.933608 0.239473 1.716875 ESP Fit Center 8124 is at 6.820880 0.647935 1.716875 ESP Fit Center 8125 is at 6.637029 1.029704 1.716875 ESP Fit Center 8126 is at 6.387966 1.372510 1.716875 ESP Fit Center 8127 is at 6.081695 1.665336 1.716875 ESP Fit Center 8128 is at 5.728059 1.898768 1.716875 ESP Fit Center 8129 is at 5.338426 2.065305 1.716875 ESP Fit Center 8130 is at 4.925318 2.159595 1.716875 ESP Fit Center 8131 is at 4.502013 2.178605 1.716875 ESP Fit Center 8132 is at 4.082116 2.121726 1.716875 ESP Fit Center 8133 is at 6.820880 -1.013041 1.716875 ESP Fit Center 8134 is at 6.933608 -0.604579 1.716875 ESP Fit Center 8135 is at 7.008052 -0.182553 1.300119 ESP Fit Center 8136 is at 6.971591 0.234202 1.300119 ESP Fit Center 8137 is at 6.863315 0.638295 1.300119 ESP Fit Center 8138 is at 6.686513 1.017447 1.300119 ESP Fit Center 8139 is at 6.446559 1.360137 1.300119 ESP Fit Center 8140 is at 6.150743 1.655953 1.300119 ESP Fit Center 8141 is at 5.808052 1.895908 1.300119 ESP Fit Center 8142 is at 5.428901 2.072709 1.300119 ESP Fit Center 8143 is at 5.024808 2.180985 1.300119 ESP Fit Center 8144 is at 4.608052 2.217447 1.300119 ESP Fit Center 8145 is at 6.863315 -1.003402 1.300119 ESP Fit Center 8146 is at 6.971591 -0.599309 1.300119 ESP Fit Center 8147 is at 6.971591 -0.182553 0.883364 ESP Fit Center 8148 is at 6.933608 0.239473 0.883364 ESP Fit Center 8149 is at 6.820880 0.647935 0.883364 ESP Fit Center 8150 is at 6.637029 1.029704 0.883364 ESP Fit Center 8151 is at 6.387966 1.372510 0.883364 ESP Fit Center 8152 is at 6.081695 1.665336 0.883364 ESP Fit Center 8153 is at 5.728059 1.898768 0.883364 ESP Fit Center 8154 is at 5.338426 2.065305 0.883364 ESP Fit Center 8155 is at 6.820880 -1.013041 0.883364 ESP Fit Center 8156 is at 6.933608 -0.604579 0.883364 ESP Fit Center 8157 is at 6.863315 -0.182553 0.479271 ESP Fit Center 8158 is at 6.822559 0.244258 0.479271 ESP Fit Center 8159 is at 6.701766 0.655643 0.479271 ESP Fit Center 8160 is at 6.505300 1.036733 0.479271 ESP Fit Center 8161 is at 6.240263 1.373756 0.479271 ESP Fit Center 8162 is at 5.916233 1.654529 0.479271 ESP Fit Center 8163 is at 6.822559 -0.609365 0.479271 ESP Fit Center 8164 is at 6.686513 -0.182553 0.100119 ESP Fit Center 8165 is at 6.643967 0.235838 0.100119 ESP Fit Center 8166 is at 6.518070 0.637100 0.100119 ESP Fit Center 8167 is at 6.313977 1.004805 0.100119 ESP Fit Center 8168 is at 6.397002 0.241435 -0.242571 ESP Fit Center 8169 is at 4.516875 -3.325512 2.475748 ESP Fit Center 8170 is at 4.912744 -3.184820 2.475748 ESP Fit Center 8171 is at 4.096106 -3.650485 2.179931 ESP Fit Center 8172 is at 4.522259 -3.625664 2.179931 ESP Fit Center 8173 is at 4.931201 -3.503235 2.179931 ESP Fit Center 8174 is at 5.300886 -3.289797 2.179931 ESP Fit Center 8175 is at 5.611384 -2.996858 2.179931 ESP Fit Center 8176 is at 5.845955 -2.640209 2.179931 ESP Fit Center 8177 is at 4.097733 -3.890882 1.837241 ESP Fit Center 8178 is at 4.517743 -3.869581 1.837241 ESP Fit Center 8179 is at 4.924866 -3.764170 1.837241 ESP Fit Center 8180 is at 5.302437 -3.578962 1.837241 ESP Fit Center 8181 is at 5.634997 -3.321542 1.837241 ESP Fit Center 8182 is at 5.908931 -3.002447 1.837241 ESP Fit Center 8183 is at 6.113024 -2.634742 1.837241 ESP Fit Center 8184 is at 3.882048 -4.047395 1.458089 ESP Fit Center 8185 is at 4.310315 -4.067796 1.458089 ESP Fit Center 8186 is at 4.734704 -4.006778 1.458089 ESP Fit Center 8187 is at 5.139876 -3.866547 1.458089 ESP Fit Center 8188 is at 5.511186 -3.652171 1.458089 ESP Fit Center 8189 is at 5.835216 -3.371398 1.458089 ESP Fit Center 8190 is at 6.100253 -3.034375 1.458089 ESP Fit Center 8191 is at 6.296719 -2.653285 1.458089 ESP Fit Center 8192 is at 6.417513 -2.241900 1.458089 ESP Fit Center 8193 is at 4.096966 -4.176247 1.053997 ESP Fit Center 8194 is at 4.520271 -4.157236 1.053997 ESP Fit Center 8195 is at 4.933379 -4.062947 1.053997 ESP Fit Center 8196 is at 5.323013 -3.896410 1.053997 ESP Fit Center 8197 is at 5.676648 -3.662977 1.053997 ESP Fit Center 8198 is at 5.982919 -3.370152 1.053997 ESP Fit Center 8199 is at 6.231983 -3.027346 1.053997 ESP Fit Center 8200 is at 6.415833 -2.645576 1.053997 ESP Fit Center 8201 is at 6.528561 -2.237115 1.053997 ESP Fit Center 8202 is at 4.203006 -4.215088 0.637241 ESP Fit Center 8203 is at 4.619761 -4.178627 0.637241 ESP Fit Center 8204 is at 5.023854 -4.070351 0.637241 ESP Fit Center 8205 is at 5.403006 -3.893549 0.637241 ESP Fit Center 8206 is at 5.745696 -3.653595 0.637241 ESP Fit Center 8207 is at 6.041512 -3.357779 0.637241 ESP Fit Center 8208 is at 6.281467 -3.015088 0.637241 ESP Fit Center 8209 is at 6.458268 -2.635937 0.637241 ESP Fit Center 8210 is at 6.566544 -2.231844 0.637241 ESP Fit Center 8211 is at 6.566544 -1.815088 0.220485 ESP Fit Center 8212 is at 4.096966 -4.176247 0.220485 ESP Fit Center 8213 is at 4.520271 -4.157236 0.220485 ESP Fit Center 8214 is at 4.933379 -4.062947 0.220485 ESP Fit Center 8215 is at 5.323013 -3.896410 0.220485 ESP Fit Center 8216 is at 5.676648 -3.662977 0.220485 ESP Fit Center 8217 is at 5.982919 -3.370152 0.220485 ESP Fit Center 8218 is at 6.231983 -3.027346 0.220485 ESP Fit Center 8219 is at 6.415833 -2.645576 0.220485 ESP Fit Center 8220 is at 6.528561 -2.237115 0.220485 ESP Fit Center 8221 is at 6.458268 -1.815088 -0.183607 ESP Fit Center 8222 is at 4.310315 -4.067796 -0.183607 ESP Fit Center 8223 is at 4.734704 -4.006778 -0.183607 ESP Fit Center 8224 is at 5.139876 -3.866547 -0.183607 ESP Fit Center 8225 is at 5.511186 -3.652171 -0.183607 ESP Fit Center 8226 is at 5.835216 -3.371398 -0.183607 ESP Fit Center 8227 is at 6.100253 -3.034375 -0.183607 ESP Fit Center 8228 is at 6.296719 -2.653285 -0.183607 ESP Fit Center 8229 is at 6.417513 -2.241900 -0.183607 ESP Fit Center 8230 is at 6.281467 -1.815088 -0.562759 ESP Fit Center 8231 is at 4.097733 -3.890882 -0.562759 ESP Fit Center 8232 is at 4.517743 -3.869581 -0.562759 ESP Fit Center 8233 is at 4.924866 -3.764170 -0.562759 ESP Fit Center 8234 is at 5.302437 -3.578962 -0.562759 ESP Fit Center 8235 is at 5.634997 -3.321542 -0.562759 ESP Fit Center 8236 is at 5.908931 -3.002447 -0.562759 ESP Fit Center 8237 is at 6.113024 -2.634742 -0.562759 ESP Fit Center 8238 is at 6.238921 -2.233480 -0.562759 ESP Fit Center 8239 is at 6.041512 -1.815088 -0.905449 ESP Fit Center 8240 is at 4.096106 -3.650485 -0.905449 ESP Fit Center 8241 is at 4.522259 -3.625664 -0.905449 ESP Fit Center 8242 is at 4.931201 -3.503235 -0.905449 ESP Fit Center 8243 is at 5.300886 -3.289797 -0.905449 ESP Fit Center 8244 is at 5.611384 -2.996858 -0.905449 ESP Fit Center 8245 is at 5.845955 -2.640209 -0.905449 ESP Fit Center 8246 is at 5.991955 -2.239077 -0.905449 ESP Fit Center 8247 is at 5.745696 -1.815088 -1.201266 ESP Fit Center 8248 is at 3.686390 -3.268705 -1.201266 ESP Fit Center 8249 is at 4.097729 -3.354182 -1.201266 ESP Fit Center 8250 is at 4.516875 -3.325512 -1.201266 ESP Fit Center 8251 is at 4.912744 -3.184820 -1.201266 ESP Fit Center 8252 is at 5.255974 -2.942542 -1.201266 ESP Fit Center 8253 is at 5.521110 -2.616646 -1.201266 ESP Fit Center 8254 is at 5.688489 -2.231301 -1.201266 ESP Fit Center 8255 is at 5.403006 -1.815088 -1.441220 ESP Fit Center 8256 is at 3.994628 -2.996858 -1.441220 ESP Fit Center 8257 is at 4.411384 -2.996858 -1.441220 ESP Fit Center 8258 is at 4.803006 -2.854319 -1.441220 ESP Fit Center 8259 is at 5.122259 -2.586434 -1.441220 ESP Fit Center 8260 is at 5.330637 -2.225513 -1.441220 ESP Fit Center 8261 is at 4.613430 -2.525964 -1.618021 ESP Fit Center 8262 is at 4.913881 -2.225513 -1.618021 ESP Fit Center 8263 is at 4.369385 2.248400 1.268601 ESP Fit Center 8264 is at 3.989066 2.399933 1.268601 ESP Fit Center 8265 is at 4.754344 2.361643 0.989126 ESP Fit Center 8266 is at 4.393365 2.570054 0.989126 ESP Fit Center 8267 is at 3.999468 2.706383 0.989126 ESP Fit Center 8268 is at 5.389460 2.115389 0.671508 ESP Fit Center 8269 is at 5.101819 2.415509 0.671508 ESP Fit Center 8270 is at 4.767594 2.662700 0.671508 ESP Fit Center 8271 is at 4.396402 2.849851 0.671508 ESP Fit Center 8272 is at 3.998920 2.971578 0.671508 ESP Fit Center 8273 is at 5.855899 1.784953 0.321662 ESP Fit Center 8274 is at 5.637507 2.141336 0.321662 ESP Fit Center 8275 is at 5.366053 2.459168 0.321662 ESP Fit Center 8276 is at 5.048222 2.730622 0.321662 ESP Fit Center 8277 is at 4.691839 2.949013 0.321662 ESP Fit Center 8278 is at 4.305679 3.108966 0.321662 ESP Fit Center 8279 is at 6.279223 0.987262 -0.053894 ESP Fit Center 8280 is at 6.189493 1.390072 -0.053894 ESP Fit Center 8281 is at 6.042070 1.775526 -0.053894 ESP Fit Center 8282 is at 5.840095 2.135406 -0.053894 ESP Fit Center 8283 is at 5.587874 2.462044 -0.053894 ESP Fit Center 8284 is at 5.290781 2.748477 -0.053894 ESP Fit Center 8285 is at 4.955150 2.988601 -0.053894 ESP Fit Center 8286 is at 4.588133 3.177298 -0.053894 ESP Fit Center 8287 is at 4.197552 3.310545 -0.053894 ESP Fit Center 8288 is at 6.419817 0.575679 -0.448165 ESP Fit Center 8289 is at 6.391232 0.984465 -0.448165 ESP Fit Center 8290 is at 6.306033 1.385295 -0.448165 ESP Fit Center 8291 is at 6.165878 1.770367 -0.448165 ESP Fit Center 8292 is at 5.973496 2.132185 -0.448165 ESP Fit Center 8293 is at 5.732630 2.463708 -0.448165 ESP Fit Center 8294 is at 5.447970 2.758483 -0.448165 ESP Fit Center 8295 is at 5.125055 3.010771 -0.448165 ESP Fit Center 8296 is at 4.770171 3.215664 -0.448165 ESP Fit Center 8297 is at 4.390225 3.369172 -0.448165 ESP Fit Center 8298 is at 3.992613 3.468308 -0.448165 ESP Fit Center 8299 is at 6.391232 0.166892 -0.448165 ESP Fit Center 8300 is at 6.475571 0.575679 -0.853806 ESP Fit Center 8301 is at 6.446443 0.992225 -0.853806 ESP Fit Center 8302 is at 6.359627 1.400663 -0.853806 ESP Fit Center 8303 is at 6.216812 1.793044 -0.853806 ESP Fit Center 8304 is at 6.020778 2.161731 -0.853806 ESP Fit Center 8305 is at 5.775340 2.499546 -0.853806 ESP Fit Center 8306 is at 5.485277 2.799916 -0.853806 ESP Fit Center 8307 is at 5.156232 3.056993 -0.853806 ESP Fit Center 8308 is at 4.794612 3.265775 -0.853806 ESP Fit Center 8309 is at 4.407454 3.422197 -0.853806 ESP Fit Center 8310 is at 4.002295 3.523215 -0.853806 ESP Fit Center 8311 is at 6.359627 -0.249306 -0.853806 ESP Fit Center 8312 is at 6.446443 0.159133 -0.853806 ESP Fit Center 8313 is at 6.475571 0.575679 -1.263261 ESP Fit Center 8314 is at 6.446443 0.992225 -1.263261 ESP Fit Center 8315 is at 6.359627 1.400663 -1.263261 ESP Fit Center 8316 is at 6.216812 1.793044 -1.263261 ESP Fit Center 8317 is at 6.020778 2.161731 -1.263261 ESP Fit Center 8318 is at 5.775340 2.499546 -1.263261 ESP Fit Center 8319 is at 5.485277 2.799916 -1.263261 ESP Fit Center 8320 is at 5.156232 3.056993 -1.263261 ESP Fit Center 8321 is at 4.794612 3.265775 -1.263261 ESP Fit Center 8322 is at 4.407454 3.422197 -1.263261 ESP Fit Center 8323 is at 4.002295 3.523215 -1.263261 ESP Fit Center 8324 is at 6.020778 -1.010373 -1.263261 ESP Fit Center 8325 is at 6.216812 -0.641687 -1.263261 ESP Fit Center 8326 is at 6.359627 -0.249306 -1.263261 ESP Fit Center 8327 is at 6.446443 0.159133 -1.263261 ESP Fit Center 8328 is at 6.419817 0.575679 -1.668901 ESP Fit Center 8329 is at 6.391232 0.984465 -1.668901 ESP Fit Center 8330 is at 6.306033 1.385295 -1.668901 ESP Fit Center 8331 is at 6.165878 1.770367 -1.668901 ESP Fit Center 8332 is at 5.973496 2.132185 -1.668901 ESP Fit Center 8333 is at 5.732630 2.463708 -1.668901 ESP Fit Center 8334 is at 5.447970 2.758483 -1.668901 ESP Fit Center 8335 is at 5.125055 3.010771 -1.668901 ESP Fit Center 8336 is at 4.770171 3.215664 -1.668901 ESP Fit Center 8337 is at 4.390225 3.369172 -1.668901 ESP Fit Center 8338 is at 3.992613 3.468308 -1.668901 ESP Fit Center 8339 is at 5.447970 -1.607125 -1.668901 ESP Fit Center 8340 is at 5.732630 -1.312351 -1.668901 ESP Fit Center 8341 is at 5.973496 -0.980828 -1.668901 ESP Fit Center 8342 is at 6.165878 -0.619009 -1.668901 ESP Fit Center 8343 is at 6.306033 -0.233938 -1.668901 ESP Fit Center 8344 is at 6.391232 0.166892 -1.668901 ESP Fit Center 8345 is at 6.309347 0.575679 -2.063172 ESP Fit Center 8346 is at 6.279223 0.987262 -2.063172 ESP Fit Center 8347 is at 6.189493 1.390072 -2.063172 ESP Fit Center 8348 is at 6.042070 1.775526 -2.063172 ESP Fit Center 8349 is at 5.840095 2.135406 -2.063172 ESP Fit Center 8350 is at 5.587874 2.462044 -2.063172 ESP Fit Center 8351 is at 5.290781 2.748477 -2.063172 ESP Fit Center 8352 is at 4.955150 2.988601 -2.063172 ESP Fit Center 8353 is at 4.588133 3.177298 -2.063172 ESP Fit Center 8354 is at 4.197552 3.310545 -2.063172 ESP Fit Center 8355 is at 4.955150 -1.837243 -2.063172 ESP Fit Center 8356 is at 5.290781 -1.597120 -2.063172 ESP Fit Center 8357 is at 5.587874 -1.310687 -2.063172 ESP Fit Center 8358 is at 5.840095 -0.984049 -2.063172 ESP Fit Center 8359 is at 6.042070 -0.624168 -2.063172 ESP Fit Center 8360 is at 6.189493 -0.238715 -2.063172 ESP Fit Center 8361 is at 6.279223 0.164096 -2.063172 ESP Fit Center 8362 is at 6.146220 0.575679 -2.438728 ESP Fit Center 8363 is at 6.113426 0.992366 -2.438728 ESP Fit Center 8364 is at 6.015852 1.398794 -2.438728 ESP Fit Center 8365 is at 5.855899 1.784953 -2.438728 ESP Fit Center 8366 is at 5.637507 2.141336 -2.438728 ESP Fit Center 8367 is at 5.366053 2.459168 -2.438728 ESP Fit Center 8368 is at 5.048222 2.730622 -2.438728 ESP Fit Center 8369 is at 4.691839 2.949013 -2.438728 ESP Fit Center 8370 is at 4.305679 3.108966 -2.438728 ESP Fit Center 8371 is at 3.899252 3.206540 -2.438728 ESP Fit Center 8372 is at 4.305679 -1.957608 -2.438728 ESP Fit Center 8373 is at 4.691839 -1.797656 -2.438728 ESP Fit Center 8374 is at 5.048222 -1.579264 -2.438728 ESP Fit Center 8375 is at 5.366053 -1.307810 -2.438728 ESP Fit Center 8376 is at 5.637507 -0.989979 -2.438728 ESP Fit Center 8377 is at 5.855899 -0.633596 -2.438728 ESP Fit Center 8378 is at 6.015852 -0.247436 -2.438728 ESP Fit Center 8379 is at 6.113426 0.158991 -2.438728 ESP Fit Center 8380 is at 5.933474 0.575679 -2.788574 ESP Fit Center 8381 is at 5.898220 0.989885 -2.788574 ESP Fit Center 8382 is at 5.793472 1.392174 -2.788574 ESP Fit Center 8383 is at 5.622243 1.770975 -2.788574 ESP Fit Center 8384 is at 5.389460 2.115389 -2.788574 ESP Fit Center 8385 is at 5.101819 2.415509 -2.788574 ESP Fit Center 8386 is at 4.767594 2.662700 -2.788574 ESP Fit Center 8387 is at 4.396402 2.849851 -2.788574 ESP Fit Center 8388 is at 3.998920 2.971578 -2.788574 ESP Fit Center 8389 is at 3.586584 3.024380 -2.788574 ESP Fit Center 8390 is at 3.171255 -1.855380 -2.788574 ESP Fit Center 8391 is at 3.586584 -1.873023 -2.788574 ESP Fit Center 8392 is at 3.998920 -1.820221 -2.788574 ESP Fit Center 8393 is at 4.396402 -1.698493 -2.788574 ESP Fit Center 8394 is at 4.767594 -1.511342 -2.788574 ESP Fit Center 8395 is at 5.101819 -1.264151 -2.788574 ESP Fit Center 8396 is at 5.389460 -0.964032 -2.788574 ESP Fit Center 8397 is at 5.622243 -0.619617 -2.788574 ESP Fit Center 8398 is at 5.793472 -0.240817 -2.788574 ESP Fit Center 8399 is at 5.898220 0.161473 -2.788574 ESP Fit Center 8400 is at 5.675072 0.575679 -3.106193 ESP Fit Center 8401 is at 5.635451 0.990614 -3.106193 ESP Fit Center 8402 is at 5.518018 1.390552 -3.106193 ESP Fit Center 8403 is at 5.327019 1.761038 -3.106193 ESP Fit Center 8404 is at 5.069357 2.088682 -3.106193 ESP Fit Center 8405 is at 4.754344 2.361643 -3.106193 ESP Fit Center 8406 is at 4.393365 2.570054 -3.106193 ESP Fit Center 8407 is at 3.999468 2.706383 -3.106193 ESP Fit Center 8408 is at 3.170538 -1.594513 -3.106193 ESP Fit Center 8409 is at 3.586888 -1.614346 -3.106193 ESP Fit Center 8410 is at 3.999468 -1.555026 -3.106193 ESP Fit Center 8411 is at 4.393365 -1.418697 -3.106193 ESP Fit Center 8412 is at 4.754344 -1.210285 -3.106193 ESP Fit Center 8413 is at 5.069357 -0.937325 -3.106193 ESP Fit Center 8414 is at 5.327019 -0.609680 -3.106193 ESP Fit Center 8415 is at 5.518018 -0.239194 -3.106193 ESP Fit Center 8416 is at 5.635451 0.160744 -3.106193 ESP Fit Center 8417 is at 5.375828 0.575679 -3.385667 ESP Fit Center 8418 is at 5.331565 0.982675 -3.385667 ESP Fit Center 8419 is at 5.200844 1.370640 -3.385667 ESP Fit Center 8420 is at 4.989779 1.721433 -3.385667 ESP Fit Center 8421 is at 4.708237 2.018653 -3.385667 ESP Fit Center 8422 is at 4.369385 2.248400 -3.385667 ESP Fit Center 8423 is at 3.989066 2.399933 -3.385667 ESP Fit Center 8424 is at 2.781795 -1.183119 -3.385667 ESP Fit Center 8425 is at 3.176268 -1.292644 -3.385667 ESP Fit Center 8426 is at 3.585064 -1.314808 -3.385667 ESP Fit Center 8427 is at 3.989066 -1.248576 -3.385667 ESP Fit Center 8428 is at 4.369385 -1.097043 -3.385667 ESP Fit Center 8429 is at 4.708237 -0.867295 -3.385667 ESP Fit Center 8430 is at 4.989779 -0.570076 -3.385667 ESP Fit Center 8431 is at 5.200844 -0.219282 -3.385667 ESP Fit Center 8432 is at 5.331565 0.168683 -3.385667 ESP Fit Center 8433 is at 5.041316 0.575679 -3.621792 ESP Fit Center 8434 is at 4.983514 0.996225 -3.621792 ESP Fit Center 8435 is at 4.814392 1.385581 -3.621792 ESP Fit Center 8436 is at 4.546495 1.714871 -3.621792 ESP Fit Center 8437 is at 4.199692 1.959672 -3.621792 ESP Fit Center 8438 is at 2.583663 -0.697775 -3.621792 ESP Fit Center 8439 is at 2.960570 -0.893072 -3.621792 ESP Fit Center 8440 is at 3.376191 -0.979439 -3.621792 ESP Fit Center 8441 is at 3.799702 -0.950470 -3.621792 ESP Fit Center 8442 is at 4.199692 -0.808314 -3.621792 ESP Fit Center 8443 is at 4.546495 -0.563513 -3.621792 ESP Fit Center 8444 is at 4.814392 -0.234224 -3.621792 ESP Fit Center 8445 is at 4.983514 0.155133 -3.621792 ESP Fit Center 8446 is at 4.677768 0.575679 -3.810167 ESP Fit Center 8447 is at 4.605688 0.984462 -3.810167 ESP Fit Center 8448 is at 4.398143 1.343941 -3.810167 ESP Fit Center 8449 is at 4.080166 1.610755 -3.810167 ESP Fit Center 8450 is at 2.884963 -0.459398 -3.810167 ESP Fit Center 8451 is at 3.275020 -0.601367 -3.810167 ESP Fit Center 8452 is at 3.690109 -0.601367 -3.810167 ESP Fit Center 8453 is at 4.080166 -0.459398 -3.810167 ESP Fit Center 8454 is at 4.398143 -0.192583 -3.810167 ESP Fit Center 8455 is at 4.605688 0.166895 -3.810167 ESP Fit Center 8456 is at 4.291955 0.575679 -3.947285 ESP Fit Center 8457 is at 4.183517 0.980374 -3.947285 ESP Fit Center 8458 is at 3.482564 -0.233711 -3.947285 ESP Fit Center 8459 is at 3.887260 -0.125274 -3.947285 ESP Fit Center 8460 is at 4.183517 0.170984 -3.947285 ESP Fit Center 8461 is at 3.891064 0.575679 -4.030591 ESP Fit Center 8462 is at 3.686814 0.221907 -4.030591 ESP Fit Center 8463 is at 3.642726 2.866385 -2.998829 ESP Fit Center 8464 is at 3.649061 2.605450 -3.341520 ESP Fit Center 8465 is at 3.240119 2.727880 -3.341520 ESP Fit Center 8466 is at 3.973834 2.044758 -3.637336 ESP Fit Center 8467 is at 3.630604 2.287036 -3.637336 ESP Fit Center 8468 is at 3.234736 2.427728 -3.637336 ESP Fit Center 8469 is at 2.815589 2.456398 -3.637336 ESP Fit Center 8470 is at 3.840119 1.688649 -3.877290 ESP Fit Center 8471 is at 3.520866 1.956535 -3.877290 ESP Fit Center 8472 is at 3.129244 2.099073 -3.877290 ESP Fit Center 8473 is at 2.712488 2.099073 -3.877290 ESP Fit Center 8474 is at 2.712488 -0.264465 -3.877290 ESP Fit Center 8475 is at 3.741714 0.917304 -4.054092 ESP Fit Center 8476 is at 3.631742 1.327728 -4.054092 ESP Fit Center 8477 is at 3.331290 1.628180 -4.054092 ESP Fit Center 8478 is at 2.920866 1.738152 -4.054092 ESP Fit Center 8479 is at 2.510442 1.628180 -4.054092 ESP Fit Center 8480 is at 2.209991 1.327728 -4.054092 ESP Fit Center 8481 is at 2.100018 0.917304 -4.054092 ESP Fit Center 8482 is at 2.209991 0.506880 -4.054092 ESP Fit Center 8483 is at 2.510442 0.206429 -4.054092 ESP Fit Center 8484 is at 2.920866 0.096456 -4.054092 ESP Fit Center 8485 is at 3.331290 0.206429 -4.054092 ESP Fit Center 8486 is at 3.631742 0.506880 -4.054092 ESP Fit Center 8487 is at 3.337622 0.917304 -4.162368 ESP Fit Center 8488 is at 3.129244 1.278225 -4.162368 ESP Fit Center 8489 is at 2.712488 1.278225 -4.162368 ESP Fit Center 8490 is at 2.504110 0.917304 -4.162368 ESP Fit Center 8491 is at 2.712488 0.556383 -4.162368 ESP Fit Center 8492 is at 3.129244 0.556383 -4.162368 ESP Fit Center 8493 is at 2.920866 0.917304 -4.198829 Entering OneElI... OneElI was handed 2147300852 working-precision words. Calculate electrostatic properties NBasis = 319 MinDer = 0 MaxDer = 0 NGrid = 8493 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 24.35 SMaxX= 16.16 Shift= 7.449464 5.142713 3.625923 Box 1 Number 0 centers from 1 to 107: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.43D+01 RnKept= 1.24D+01 NSMCal= 5778 NSMKep= 2944 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 25003392 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 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs PRISM was handed 178722816 working-precision words and 2944 shell-pairs IPart= 7 NShTot= 2021334 NBatch= 1961 AvBLen= 1030.8 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 2123250 NBatch= 2099 AvBLen= 1011.6 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 2055306 NBatch= 2026 AvBLen= 1014.5 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2259138 NBatch= 2365 AvBLen= 955.2 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 1919418 NBatch= 1823 AvBLen= 1052.9 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 1927911 NBatch= 1829 AvBLen= 1054.1 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 1970376 NBatch= 1887 AvBLen= 1044.2 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 1970376 NBatch= 1887 AvBLen= 1044.2 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 2182701 NBatch= 2160 AvBLen= 1010.5 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 2165715 NBatch= 2136 AvBLen= 1013.9 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 2216673 NBatch= 2205 AvBLen= 1005.3 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 2 NShTot= 2191194 NBatch= 2168 AvBLen= 1010.7 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 8459 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00157 RRMS= 0.08324: ESP charges: 1 1 C 0.596793 2 C -0.501439 3 O -0.775869 4 O -0.662754 5 C 1.079203 6 N -0.889783 7 C 0.932366 8 O -0.628196 9 N -0.590801 10 C 0.675879 11 C -0.610447 12 H 0.042100 13 H 0.127203 14 H 0.116614 15 H 0.460785 16 C -0.310629 17 Cl 0.008221 18 H 0.193043 19 H 0.476411 20 H 0.132255 21 H 0.165983 22 N -0.138584 23 C -0.214994 24 C 0.028400 25 C -0.287806 26 C 0.672376 27 H 0.117016 28 H 0.094529 29 H -0.016369 30 H 0.045644 31 H 0.131076 32 H 0.103683 33 N -1.048076 34 H 0.476168 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.638892 2 C -0.064579 3 O -0.299458 4 O -0.662754 5 C 1.079203 6 N -0.428998 7 C 0.932366 8 O -0.628196 9 N -0.590801 10 C 0.675879 11 C -0.610447 16 C -0.012391 17 Cl 0.008221 22 N -0.138584 23 C -0.003450 24 C 0.057675 25 C -0.053047 26 C 0.672376 33 N -0.571908 Charge= -0.00000 Dipole= 2.6155 1.5355 0.4361 Tot= 3.0641 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.587465 2 Atom -14.718797 3 Atom -22.266691 4 Atom -22.339206 5 Atom -14.575299 6 Atom -18.251389 7 Atom -14.520115 8 Atom -22.323564 9 Atom -18.231814 10 Atom -14.600928 11 Atom -14.636671 12 Atom -1.088078 13 Atom -1.099235 14 Atom -1.095262 15 Atom -0.946913 16 Atom -14.650891 17 Atom -64.381215 18 Atom -1.100583 19 Atom -0.941312 20 Atom -1.085063 21 Atom -1.076105 22 Atom -18.307122 23 Atom -14.678131 24 Atom -14.712568 25 Atom -14.713633 26 Atom -14.641711 27 Atom -1.095633 28 Atom -1.111834 29 Atom -1.106083 30 Atom -1.108074 31 Atom -1.099947 32 Atom -1.095928 33 Atom -18.393122 34 Atom -1.065959 35 Fit 0.014259 36 Fit 0.009111 37 Fit 0.008410 38 Fit 0.007457 39 Fit 0.013337 40 Fit 0.012622 41 Fit 0.016887 42 Fit 0.015056 43 Fit 0.012903 44 Fit 0.011989 45 Fit 0.011765 46 Fit 0.011728 47 Fit 0.020393 48 Fit 0.015300 49 Fit 0.012394 50 Fit 0.011806 51 Fit 0.012319 52 Fit 0.011304 53 Fit 0.011243 54 Fit 0.011504 55 Fit 0.023802 56 Fit 0.009134 57 Fit 0.011463 58 Fit 0.025916 59 Fit 0.005900 60 Fit 0.013505 61 Fit 0.010084 62 Fit 0.017117 63 Fit 0.013301 64 Fit -0.001629 65 Fit 0.005849 66 Fit 0.026003 67 Fit 0.017258 68 Fit 0.016745 69 Fit 0.006818 70 Fit 0.000414 71 Fit -0.003072 72 Fit -0.004327 73 Fit -0.003977 74 Fit -0.001521 75 Fit 0.004060 76 Fit 0.028700 77 Fit 0.008977 78 Fit -0.000846 79 Fit -0.007266 80 Fit -0.010659 81 Fit -0.011536 82 Fit -0.010198 83 Fit -0.006577 84 Fit -0.000600 85 Fit 0.019266 86 Fit 0.006925 87 Fit -0.003833 88 Fit -0.011130 89 Fit -0.014748 90 Fit -0.015064 91 Fit -0.012510 92 Fit -0.007452 93 Fit 0.011366 94 Fit 0.014599 95 Fit 0.009588 96 Fit 0.013950 97 Fit 0.013121 98 Fit 0.005427 99 Fit -0.004663 100 Fit -0.012309 101 Fit -0.015593 102 Fit -0.014634 103 Fit -0.010466 104 Fit -0.004960 105 Fit -0.000142 106 Fit 0.004451 107 Fit 0.000562 108 Fit 0.000886 109 Fit -0.006864 110 Fit -0.012699 111 Fit -0.010952 112 Fit -0.005095 113 Fit -0.007100 114 Fit -0.029988 115 Fit -0.023253 116 Fit -0.018068 117 Fit -0.024672 118 Fit -0.035252 119 Fit -0.038856 120 Fit -0.033753 121 Fit -0.014438 122 Fit -0.006287 123 Fit -0.016447 124 Fit -0.029603 125 Fit -0.039454 126 Fit -0.044364 127 Fit -0.045361 128 Fit -0.043005 129 Fit -0.036819 130 Fit -0.026627 131 Fit -0.009219 132 Fit -0.026521 133 Fit -0.038761 134 Fit -0.045750 135 Fit -0.049082 136 Fit -0.050147 137 Fit -0.049489 138 Fit -0.046763 139 Fit -0.041047 140 Fit -0.031482 141 Fit -0.018198 142 Fit -0.022430 143 Fit -0.036921 144 Fit -0.045444 145 Fit -0.050061 146 Fit -0.052377 147 Fit -0.053411 148 Fit -0.053582 149 Fit -0.052743 150 Fit -0.050291 151 Fit -0.045288 152 Fit -0.036667 153 Fit -0.023799 154 Fit -0.014297 155 Fit -0.033043 156 Fit -0.043874 157 Fit -0.049884 158 Fit -0.053087 159 Fit -0.054804 160 Fit -0.055799 161 Fit -0.056337 162 Fit -0.056241 163 Fit -0.054972 164 Fit -0.051663 165 Fit -0.045036 166 Fit -0.033485 167 Fit -0.016240 168 Fit -0.007008 169 Fit -0.028623 170 Fit -0.041220 171 Fit -0.048488 172 Fit -0.052580 173 Fit -0.054902 174 Fit -0.056366 175 Fit -0.057480 176 Fit -0.058387 177 Fit -0.058921 178 Fit -0.058665 179 Fit -0.056966 180 Fit -0.052690 181 Fit -0.022057 182 Fit -0.037022 183 Fit -0.045936 184 Fit -0.051146 185 Fit -0.054195 186 Fit -0.056132 187 Fit -0.057620 188 Fit -0.058975 189 Fit -0.060206 190 Fit -0.061077 191 Fit -0.061168 192 Fit -0.059738 193 Fit -0.003413 194 Fit -0.024099 195 Fit -0.037413 196 Fit -0.045721 197 Fit -0.050789 198 Fit -0.053927 199 Fit -0.056077 200 Fit -0.057843 201 Fit -0.059511 202 Fit -0.061083 203 Fit -0.062348 204 Fit -0.062916 205 Fit -0.016953 206 Fit -0.031380 207 Fit -0.041178 208 Fit -0.047533 209 Fit -0.051628 210 Fit -0.054434 211 Fit -0.056639 212 Fit -0.058628 213 Fit -0.060495 214 Fit -0.062107 215 Fit -0.063128 216 Fit -0.006454 217 Fit -0.022415 218 Fit -0.034439 219 Fit -0.042739 220 Fit -0.048256 221 Fit -0.052016 222 Fit -0.054840 223 Fit -0.057222 224 Fit -0.059303 225 Fit -0.060937 226 Fit -0.011475 227 Fit -0.025576 228 Fit -0.035987 229 Fit -0.043231 230 Fit -0.048199 231 Fit -0.051757 232 Fit -0.054477 233 Fit -0.056537 234 Fit -0.057701 235 Fit -0.025141 236 Fit -0.035763 237 Fit -0.042892 238 Fit -0.047587 239 Fit -0.050575 240 Fit -0.051874 241 Fit -0.024069 242 Fit -0.034818 243 Fit -0.041197 244 Fit -0.043886 245 Fit -0.041956 246 Fit -0.028042 247 Fit -0.033232 248 Fit -0.024530 249 Fit -0.018532 250 Fit 0.010935 251 Fit 0.018261 252 Fit 0.004104 253 Fit -0.002481 254 Fit 0.007680 255 Fit 0.025595 256 Fit 0.004465 257 Fit 0.017675 258 Fit 0.031861 259 Fit 0.036053 260 Fit -0.001324 261 Fit 0.014056 262 Fit 0.024705 263 Fit 0.035820 264 Fit 0.043011 265 Fit -0.006772 266 Fit 0.010023 267 Fit 0.021570 268 Fit -0.002380 269 Fit 0.013709 270 Fit 0.004151 271 Fit -0.009309 272 Fit 0.041207 273 Fit 0.023861 274 Fit 0.016027 275 Fit 0.006100 276 Fit -0.005308 277 Fit -0.014138 278 Fit -0.016267 279 Fit 0.031277 280 Fit 0.025515 281 Fit 0.017662 282 Fit 0.008553 283 Fit 0.001239 284 Fit 0.000543 285 Fit 0.022036 286 Fit 0.014494 287 Fit 0.017045 288 Fit 0.016380 289 Fit 0.016764 290 Fit 0.020561 291 Fit 0.022149 292 Fit 0.016510 293 Fit 0.015103 294 Fit 0.020053 295 Fit 0.019012 296 Fit 0.015738 297 Fit 0.016491 298 Fit 0.014032 299 Fit 0.012604 300 Fit 0.015630 301 Fit 0.018544 302 Fit 0.027813 303 Fit 0.008226 304 Fit 0.016894 305 Fit 0.009660 306 Fit 0.005940 307 Fit 0.018452 308 Fit 0.023157 309 Fit 0.025871 310 Fit 0.033672 311 Fit 0.035868 312 Fit 0.046935 313 Fit 0.008044 314 Fit 0.018273 315 Fit 0.002591 316 Fit 0.010758 317 Fit 0.014817 318 Fit 0.017244 319 Fit 0.017100 320 Fit 0.013756 321 Fit 0.006925 322 Fit 0.013469 323 Fit 0.013238 324 Fit 0.012669 325 Fit 0.010859 326 Fit 0.007819 327 Fit 0.016707 328 Fit 0.013545 329 Fit 0.012229 330 Fit 0.012001 331 Fit 0.022403 332 Fit 0.017130 333 Fit 0.016454 334 Fit 0.042671 335 Fit 0.026793 336 Fit 0.023671 337 Fit 0.032691 338 Fit 0.014032 339 Fit 0.018478 340 Fit 0.004487 341 Fit 0.012032 342 Fit 0.023708 343 Fit 0.023718 344 Fit 0.011362 345 Fit 0.030823 346 Fit 0.029819 347 Fit 0.028684 348 Fit 0.036968 349 Fit 0.036563 350 Fit 0.033022 351 Fit 0.042053 352 Fit 0.036971 353 Fit 0.001595 354 Fit 0.012708 355 Fit 0.006676 356 Fit 0.015342 357 Fit 0.012842 358 Fit 0.007560 359 Fit 0.009340 360 Fit 0.015546 361 Fit 0.021984 362 Fit 0.026935 363 Fit 0.017233 364 Fit 0.017541 365 Fit 0.021853 366 Fit 0.027317 367 Fit 0.032806 368 Fit 0.037860 369 Fit 0.022020 370 Fit 0.027065 371 Fit -0.023044 372 Fit -0.019673 373 Fit -0.027432 374 Fit -0.029955 375 Fit -0.024725 376 Fit -0.016093 377 Fit -0.013694 378 Fit -0.014253 379 Fit -0.023012 380 Fit -0.030037 381 Fit -0.034028 382 Fit -0.034910 383 Fit -0.032071 384 Fit -0.024727 385 Fit -0.014401 386 Fit -0.005655 387 Fit -0.000928 388 Fit -0.001140 389 Fit -0.006403 390 Fit -0.016151 391 Fit -0.025863 392 Fit -0.032316 393 Fit -0.036172 394 Fit -0.038077 395 Fit -0.038010 396 Fit -0.035167 397 Fit -0.028280 398 Fit -0.016748 399 Fit -0.002939 400 Fit 0.002866 401 Fit -0.027938 402 Fit -0.033560 403 Fit -0.037122 404 Fit -0.039308 405 Fit -0.040343 406 Fit -0.039952 407 Fit -0.037323 408 Fit -0.031165 409 Fit -0.019974 410 Fit -0.002955 411 Fit -0.023467 412 Fit -0.030623 413 Fit -0.035284 414 Fit -0.038355 415 Fit -0.040332 416 Fit -0.041395 417 Fit -0.041302 418 Fit -0.039321 419 Fit -0.034193 420 Fit -0.024056 421 Fit -0.006326 422 Fit -0.016470 423 Fit -0.025434 424 Fit -0.031623 425 Fit -0.035872 426 Fit -0.038723 427 Fit -0.040598 428 Fit -0.041675 429 Fit -0.041783 430 Fit -0.040351 431 Fit -0.036359 432 Fit -0.028221 433 Fit -0.013426 434 Fit -0.018897 435 Fit -0.027477 436 Fit -0.033285 437 Fit -0.037071 438 Fit -0.039501 439 Fit -0.040978 440 Fit -0.041547 441 Fit -0.040857 442 Fit -0.038133 443 Fit -0.032121 444 Fit -0.020862 445 Fit -0.001011 446 Fit -0.022226 447 Fit -0.030309 448 Fit -0.035217 449 Fit -0.038184 450 Fit -0.039885 451 Fit -0.040513 452 Fit -0.039816 453 Fit -0.037115 454 Fit -0.031293 455 Fit -0.020706 456 Fit -0.002886 457 Fit -0.027908 458 Fit -0.033618 459 Fit -0.036805 460 Fit -0.038389 461 Fit -0.038599 462 Fit -0.037148 463 Fit -0.033322 464 Fit -0.026040 465 Fit -0.013963 466 Fit 0.004211 467 Fit -0.019429 468 Fit -0.028770 469 Fit -0.033465 470 Fit -0.035570 471 Fit -0.035708 472 Fit -0.033705 473 Fit -0.028858 474 Fit -0.020180 475 Fit -0.006864 476 Fit -0.022091 477 Fit -0.028723 478 Fit -0.031483 479 Fit -0.031504 480 Fit -0.028795 481 Fit -0.022753 482 Fit -0.012617 483 Fit -0.018794 484 Fit -0.024842 485 Fit -0.025988 486 Fit -0.022950 487 Fit -0.015253 488 Fit -0.002053 489 Fit -0.014457 490 Fit -0.018233 491 Fit -0.015098 492 Fit -0.004851 493 Fit -0.000514 494 Fit -0.007634 495 Fit 0.032661 496 Fit 0.039390 497 Fit 0.030815 498 Fit 0.026499 499 Fit 0.039523 500 Fit 0.032144 501 Fit 0.027816 502 Fit 0.015917 503 Fit 0.019359 504 Fit 0.029767 505 Fit 0.032926 506 Fit 0.012552 507 Fit 0.014482 508 Fit 0.018276 509 Fit 0.022064 510 Fit 0.008691 511 Fit 0.011296 512 Fit 0.015037 513 Fit 0.019732 514 Fit 0.007428 515 Fit 0.012723 516 Fit 0.011147 517 Fit 0.035125 518 Fit 0.031818 519 Fit 0.044359 520 Fit 0.031611 521 Fit 0.031397 522 Fit 0.030073 523 Fit 0.030010 524 Fit 0.022706 525 Fit 0.022051 526 Fit 0.015969 527 Fit 0.017688 528 Fit 0.019485 529 Fit 0.020299 530 Fit 0.018225 531 Fit 0.014940 532 Fit 0.022553 533 Fit 0.021806 534 Fit 0.021033 535 Fit 0.019208 536 Fit 0.019248 537 Fit 0.024063 538 Fit 0.025299 539 Fit 0.023857 540 Fit 0.027946 541 Fit 0.023265 542 Fit 0.031694 543 Fit 0.041187 544 Fit 0.014117 545 Fit 0.019767 546 Fit 0.026370 547 Fit 0.023098 548 Fit 0.009406 549 Fit 0.017527 550 Fit 0.014624 551 Fit 0.010251 552 Fit 0.004792 553 Fit 0.013523 554 Fit 0.010302 555 Fit 0.006846 556 Fit 0.012081 557 Fit 0.008203 558 Fit 0.012684 559 Fit 0.004521 560 Fit 0.011311 561 Fit -0.001612 562 Fit 0.023667 563 Fit 0.015648 564 Fit 0.005601 565 Fit -0.008710 566 Fit 0.032522 567 Fit 0.025143 568 Fit 0.017821 569 Fit 0.009308 570 Fit -0.001811 571 Fit -0.017475 572 Fit 0.049103 573 Fit 0.038157 574 Fit 0.030065 575 Fit 0.023113 576 Fit 0.016079 577 Fit 0.007956 578 Fit -0.002229 579 Fit -0.015364 580 Fit 0.052038 581 Fit 0.039408 582 Fit 0.030825 583 Fit 0.023953 584 Fit 0.017423 585 Fit 0.010385 586 Fit 0.002382 587 Fit -0.006365 588 Fit 0.046025 589 Fit 0.034654 590 Fit 0.026918 591 Fit 0.020548 592 Fit 0.014469 593 Fit 0.008436 594 Fit 0.003235 595 Fit 0.001220 596 Fit 0.005900 597 Fit 0.034396 598 Fit 0.026565 599 Fit 0.020494 600 Fit 0.015247 601 Fit 0.011065 602 Fit 0.009366 603 Fit 0.011684 604 Fit 0.027814 605 Fit 0.022390 606 Fit 0.017442 607 Fit 0.013766 608 Fit 0.012506 609 Fit 0.017038 610 Fit 0.015260 611 Fit 0.011835 612 Fit 0.014659 613 Fit 0.014489 614 Fit 0.013530 615 Fit 0.013045 616 Fit 0.013988 617 Fit 0.015799 618 Fit 0.015711 619 Fit 0.013918 620 Fit 0.013021 621 Fit 0.012380 622 Fit 0.011643 623 Fit 0.010699 624 Fit 0.010362 625 Fit 0.011985 626 Fit 0.015061 627 Fit 0.017143 628 Fit 0.017368 629 Fit 0.016505 630 Fit 0.015183 631 Fit 0.013528 632 Fit 0.012543 633 Fit 0.011841 634 Fit 0.011226 635 Fit 0.010357 636 Fit 0.008895 637 Fit 0.006901 638 Fit 0.005355 639 Fit 0.006161 640 Fit 0.010290 641 Fit 0.015498 642 Fit 0.018643 643 Fit 0.019272 644 Fit 0.018678 645 Fit 0.017777 646 Fit 0.016492 647 Fit 0.014890 648 Fit 0.011225 649 Fit 0.010322 650 Fit 0.009104 651 Fit 0.007073 652 Fit 0.003893 653 Fit -0.000133 654 Fit -0.003349 655 Fit -0.002526 656 Fit 0.004406 657 Fit 0.014044 658 Fit 0.020453 659 Fit 0.022168 660 Fit 0.021450 661 Fit 0.020468 662 Fit 0.009991 663 Fit 0.008043 664 Fit 0.005033 665 Fit 0.000197 666 Fit -0.006725 667 Fit -0.014533 668 Fit 0.027606 669 Fit 0.026822 670 Fit 0.024297 671 Fit 0.009817 672 Fit 0.006268 673 Fit 0.000517 674 Fit -0.008851 675 Fit -0.000393 676 Fit 0.012303 677 Fit 0.012374 678 Fit 0.013160 679 Fit 0.013439 680 Fit 0.012652 681 Fit 0.012155 682 Fit 0.013855 683 Fit 0.015165 684 Fit 0.015511 685 Fit 0.014739 686 Fit 0.013075 687 Fit 0.011488 688 Fit 0.011237 689 Fit 0.011673 690 Fit 0.014338 691 Fit 0.016534 692 Fit 0.017829 693 Fit 0.018073 694 Fit 0.017282 695 Fit 0.015609 696 Fit 0.013443 697 Fit 0.009478 698 Fit 0.011040 699 Fit 0.014809 700 Fit 0.017872 701 Fit 0.019951 702 Fit 0.020988 703 Fit 0.021026 704 Fit 0.020175 705 Fit 0.018616 706 Fit 0.016674 707 Fit 0.005367 708 Fit 0.007314 709 Fit 0.010920 710 Fit 0.016029 711 Fit 0.019992 712 Fit 0.022712 713 Fit 0.024262 714 Fit 0.024775 715 Fit 0.024421 716 Fit 0.023430 717 Fit 0.022168 718 Fit 0.021297 719 Fit 0.000687 720 Fit 0.005235 721 Fit 0.012865 722 Fit 0.019286 723 Fit 0.023997 724 Fit 0.027118 725 Fit 0.028891 726 Fit 0.029581 727 Fit 0.029491 728 Fit 0.029048 729 Fit 0.028980 730 Fit 0.030792 731 Fit -0.002123 732 Fit 0.005111 733 Fit 0.019462 734 Fit 0.026620 735 Fit 0.031543 736 Fit 0.034569 737 Fit 0.036156 738 Fit 0.036813 739 Fit 0.037224 740 Fit 0.038618 741 Fit 0.001913 742 Fit 0.010402 743 Fit 0.034350 744 Fit 0.040615 745 Fit 0.044595 746 Fit 0.046828 747 Fit 0.048130 748 Fit 0.049700 749 Fit 0.053966 750 Fit 0.027934 751 Fit 0.026250 752 Fit 0.029896 753 Fit 0.030792 754 Fit 0.026953 755 Fit 0.024371 756 Fit 0.021476 757 Fit 0.024670 758 Fit 0.030092 759 Fit 0.033399 760 Fit 0.032792 761 Fit 0.028512 762 Fit 0.022809 763 Fit 0.019764 764 Fit 0.015196 765 Fit 0.023660 766 Fit 0.030803 767 Fit 0.034676 768 Fit 0.034993 769 Fit 0.031811 770 Fit 0.025400 771 Fit 0.017011 772 Fit 0.010488 773 Fit 0.015589 774 Fit 0.026344 775 Fit 0.032886 776 Fit 0.035755 777 Fit 0.035328 778 Fit 0.031641 779 Fit 0.024448 780 Fit 0.013525 781 Fit 0.000104 782 Fit 0.010595 783 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Fit -0.000602 8463 Fit 0.011041 8464 Fit 0.008724 8465 Fit 0.015096 8466 Fit 0.001819 8467 Fit 0.007003 8468 Fit 0.011861 8469 Fit 0.015336 8470 Fit 0.002343 8471 Fit 0.006578 8472 Fit 0.010383 8473 Fit 0.012594 8474 Fit 0.007856 8475 Fit 0.001029 8476 Fit 0.003414 8477 Fit 0.006946 8478 Fit 0.009943 8479 Fit 0.011129 8480 Fit 0.011241 8481 Fit 0.011849 8482 Fit 0.011965 8483 Fit 0.010035 8484 Fit 0.006553 8485 Fit 0.003015 8486 Fit 0.000873 8487 Fit 0.004901 8488 Fit 0.007372 8489 Fit 0.009719 8490 Fit 0.010275 8491 Fit 0.008822 8492 Fit 0.005750 8493 Fit 0.007965 ----------------------------------------------------------------- Leave Link 602 at Mon May 6 08:29:32 2024, MaxMem= 2147483648 cpu: 2.4 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 0.012551264 -0.006093030 0.036342526 2 6 0.000182201 0.004714442 -0.002492599 3 8 0.017680801 0.006261605 0.006971174 4 8 0.034713268 -0.025655287 0.031896242 5 6 -0.096936138 0.043468641 -0.081202586 6 7 0.033372394 -0.046699436 0.037224092 7 6 0.069545357 0.025969794 0.037600441 8 8 -0.048780384 -0.024703026 -0.025757319 9 7 -0.038695617 -0.005763510 -0.043182621 10 6 0.021713594 0.002807699 0.006835057 11 6 0.020089025 -0.013389604 0.017684822 12 1 -0.017070368 -0.004239330 -0.009892976 13 1 0.002748036 -0.011164956 -0.000570633 14 1 -0.007612550 0.005274988 -0.003546419 15 1 0.003002076 0.003185296 0.001272344 16 6 0.000376092 -0.006668575 0.018371719 17 17 -0.001191945 0.014614530 -0.005066662 18 1 0.010176393 0.003539038 0.001237483 19 1 -0.026698095 0.020816547 -0.023155634 20 1 0.016464994 0.004053043 0.004164059 21 1 -0.010134821 0.008248035 -0.005372036 22 7 0.009897879 -0.008212175 0.013810744 23 6 -0.001860913 0.003783854 0.009452313 24 6 -0.025412593 0.008561880 0.009695371 25 6 -0.005843313 0.011275748 0.005538395 26 6 0.057008717 -0.023578069 -0.042795985 27 1 0.004334009 -0.012901833 0.002571107 28 1 -0.000845155 0.012372666 -0.000445979 29 1 -0.013784130 -0.001595888 0.000829940 30 1 0.008186476 -0.001433752 -0.005312971 31 1 0.000224095 0.001652826 -0.015833058 32 1 0.007481139 0.001756262 0.006857012 33 7 -0.031657691 -0.001213253 0.028134851 34 1 -0.003224097 0.010954829 -0.011862214 ------------------------------------------------------------------- Cartesian Forces: Max 0.096936138 RMS 0.023542661 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.060371794 RMS 0.012328395 Search for a local minimum. Step number 1 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00230 0.00249 0.00653 0.00776 0.00950 Eigenvalues --- 0.00977 0.01036 0.01107 0.01188 0.01285 Eigenvalues --- 0.01403 0.01495 0.01774 0.01868 0.02012 Eigenvalues --- 0.02129 0.02334 0.02455 0.03358 0.03365 Eigenvalues --- 0.03882 0.05201 0.05238 0.05240 0.05591 Eigenvalues --- 0.05724 0.05727 0.05734 0.05818 0.06272 Eigenvalues --- 0.06537 0.06724 0.06997 0.07412 0.07861 Eigenvalues --- 0.08104 0.08504 0.09625 0.10270 0.13033 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.17090 0.20316 0.20436 0.21669 Eigenvalues --- 0.22126 0.23453 0.24787 0.24997 0.24998 Eigenvalues --- 0.24999 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.26847 0.27872 0.27909 0.28598 Eigenvalues --- 0.31652 0.32170 0.33770 0.33800 0.33814 Eigenvalues --- 0.33820 0.33847 0.33887 0.33907 0.33929 Eigenvalues --- 0.33950 0.34604 0.34667 0.34695 0.34737 Eigenvalues --- 0.35002 0.36638 0.36714 0.37722 0.41690 Eigenvalues --- 0.42184 0.43764 0.46888 0.48792 0.49476 Eigenvalues --- 0.49890 0.55360 0.59475 0.75131 0.88877 Eigenvalues --- 0.88962 RFO step: Lambda=-7.24029260D-02 EMin= 2.30000000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.715 Iteration 1 RMS(Cart)= 0.08854986 RMS(Int)= 0.00245949 Iteration 2 RMS(Cart)= 0.00376447 RMS(Int)= 0.00038815 Iteration 3 RMS(Cart)= 0.00000687 RMS(Int)= 0.00038813 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00038813 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90850 -0.00669 0.00000 -0.01334 -0.01334 2.89517 R2 2.68689 -0.02352 0.00000 -0.03401 -0.03401 2.65288 R3 2.79403 -0.01123 0.00000 -0.01913 -0.01913 2.77490 R4 2.07451 -0.01643 0.00000 -0.02853 -0.02853 2.04598 R5 2.07644 -0.01117 0.00000 -0.01946 -0.01946 2.05699 R6 2.07635 -0.00952 0.00000 -0.01657 -0.01657 2.05978 R7 2.06218 -0.01050 0.00000 -0.01790 -0.01790 2.04428 R8 1.86676 -0.04071 0.00000 -0.05093 -0.05093 1.81583 R9 2.33415 -0.05347 0.00000 -0.03973 -0.03973 2.29442 R10 2.49934 0.03766 0.00000 0.04073 0.04085 2.54019 R11 2.74935 0.00273 0.00000 0.00780 0.00792 2.75727 R12 2.61463 -0.02057 0.00000 -0.02736 -0.02735 2.58728 R13 1.87804 0.00346 0.00000 0.00441 0.00441 1.88246 R14 2.33455 -0.06037 0.00000 -0.04490 -0.04490 2.28965 R15 2.65213 -0.02889 0.00000 -0.04242 -0.04254 2.60959 R16 2.78082 -0.03649 0.00000 -0.06328 -0.06340 2.71742 R17 2.53361 0.01067 0.00000 0.01278 0.01279 2.54640 R18 2.92419 -0.00774 0.00000 -0.01576 -0.01576 2.90843 R19 3.27534 -0.00237 0.00000 -0.00430 -0.00430 3.27104 R20 2.06323 -0.01406 0.00000 -0.02402 -0.02402 2.03921 R21 2.05672 -0.01314 0.00000 -0.02223 -0.02223 2.03449 R22 2.74771 -0.00196 0.00000 -0.00312 -0.00312 2.74459 R23 2.73920 0.01540 0.00000 0.02511 0.02520 2.76440 R24 2.66599 -0.01044 0.00000 -0.01686 -0.01695 2.64904 R25 2.90620 -0.00846 0.00000 -0.01541 -0.01542 2.89078 R26 2.07414 -0.01344 0.00000 -0.02333 -0.02333 2.05081 R27 2.07487 -0.00652 0.00000 -0.01133 -0.01133 2.06354 R28 2.89008 0.00178 0.00000 0.00697 0.00710 2.89719 R29 2.07522 -0.01135 0.00000 -0.01973 -0.01973 2.05548 R30 2.07589 -0.00980 0.00000 -0.01705 -0.01705 2.05884 R31 2.81700 0.01767 0.00000 0.02823 0.02809 2.84509 R32 2.07668 -0.01484 0.00000 -0.02584 -0.02584 2.05084 R33 2.07720 -0.00885 0.00000 -0.01542 -0.01542 2.06178 R34 2.40653 -0.03376 0.00000 -0.02930 -0.02930 2.37723 R35 1.87097 0.00692 0.00000 0.00871 0.00871 1.87969 A1 1.89960 0.01176 0.00000 0.04378 0.04449 1.94408 A2 1.89681 0.01548 0.00000 0.04554 0.04629 1.94310 A3 1.87488 -0.00142 0.00000 0.01339 0.01367 1.88855 A4 1.97722 -0.02088 0.00000 -0.06315 -0.06472 1.91249 A5 1.91197 0.00218 0.00000 -0.00029 -0.00278 1.90920 A6 1.90062 -0.00610 0.00000 -0.03501 -0.03630 1.86431 A7 1.91098 0.00175 0.00000 0.00573 0.00571 1.91669 A8 1.90931 0.00272 0.00000 0.00715 0.00713 1.91644 A9 1.91079 0.00195 0.00000 0.00684 0.00680 1.91759 A10 1.91166 -0.00310 0.00000 -0.01121 -0.01121 1.90045 A11 1.91010 -0.00061 0.00000 0.00055 0.00050 1.91059 A12 1.91097 -0.00271 0.00000 -0.00905 -0.00907 1.90190 A13 1.90973 -0.00935 0.00000 -0.02877 -0.02877 1.88096 A14 2.08742 0.01175 0.00000 0.02268 0.02255 2.10997 A15 2.08709 0.02268 0.00000 0.04690 0.04677 2.13387 A16 2.10867 -0.03443 0.00000 -0.06958 -0.06933 2.03934 A17 2.10536 0.02571 0.00000 0.06344 0.06355 2.16891 A18 2.08923 -0.01007 0.00000 -0.02315 -0.02321 2.06602 A19 2.08859 -0.01564 0.00000 -0.04029 -0.04035 2.04824 A20 2.07968 0.00565 0.00000 0.01623 0.01629 2.09597 A21 2.11259 -0.01704 0.00000 -0.04520 -0.04533 2.06726 A22 2.09092 0.01139 0.00000 0.02898 0.02904 2.11995 A23 2.02095 -0.02444 0.00000 -0.04964 -0.04955 1.97140 A24 2.19418 0.00122 0.00000 0.00726 0.00735 2.20153 A25 2.06805 0.02323 0.00000 0.04242 0.04213 2.11018 A26 2.06164 -0.00019 0.00000 -0.00260 -0.00272 2.05892 A27 2.16230 -0.02218 0.00000 -0.04810 -0.04804 2.11426 A28 2.05917 0.02236 0.00000 0.05065 0.05070 2.10987 A29 2.11003 0.00271 0.00000 0.01143 0.01155 2.12159 A30 2.06240 -0.02646 0.00000 -0.06139 -0.06145 2.00095 A31 2.11075 0.02375 0.00000 0.04994 0.04988 2.16062 A32 1.90148 -0.00739 0.00000 -0.02601 -0.02644 1.87504 A33 1.93446 -0.00504 0.00000 -0.01464 -0.01527 1.91920 A34 1.93671 0.01252 0.00000 0.03489 0.03479 1.97150 A35 1.93889 -0.00222 0.00000 -0.01948 -0.02002 1.91886 A36 1.87206 0.00150 0.00000 0.01255 0.01279 1.88485 A37 1.87946 0.00114 0.00000 0.01443 0.01442 1.89388 A38 2.18834 -0.00563 0.00000 -0.01511 -0.01526 2.17308 A39 2.19315 0.00059 0.00000 -0.00068 -0.00078 2.19237 A40 1.89797 0.00474 0.00000 0.01390 0.01392 1.91189 A41 1.70875 0.01105 0.00000 0.03713 0.03694 1.74570 A42 2.00313 -0.00172 0.00000 -0.00794 -0.00841 1.99472 A43 1.90440 -0.00357 0.00000 -0.00296 -0.00276 1.90164 A44 1.99195 -0.00252 0.00000 0.00085 0.00111 1.99306 A45 1.91401 -0.00096 0.00000 -0.00704 -0.00743 1.90658 A46 1.92966 -0.00130 0.00000 -0.01517 -0.01528 1.91438 A47 1.74875 -0.01260 0.00000 -0.02696 -0.02753 1.72122 A48 1.89139 0.00188 0.00000 -0.00402 -0.00404 1.88735 A49 1.99682 0.00518 0.00000 0.01751 0.01784 2.01466 A50 1.89578 -0.00023 0.00000 -0.00297 -0.00281 1.89296 A51 1.99484 0.00967 0.00000 0.02866 0.02868 2.02352 A52 1.92616 -0.00457 0.00000 -0.01417 -0.01424 1.91192 A53 1.68632 0.01867 0.00000 0.05757 0.05754 1.74386 A54 2.01853 -0.00216 0.00000 0.00389 0.00423 2.02276 A55 1.89873 -0.00290 0.00000 -0.00700 -0.00695 1.89178 A56 2.01074 -0.00820 0.00000 -0.02313 -0.02389 1.98685 A57 1.90205 -0.00536 0.00000 -0.01831 -0.01860 1.88344 A58 1.93153 0.00123 0.00000 -0.00764 -0.00808 1.92345 A59 1.89585 -0.01550 0.00000 -0.03511 -0.03521 1.86064 A60 2.21425 0.01880 0.00000 0.04205 0.04210 2.25636 A61 2.17303 -0.00330 0.00000 -0.00693 -0.00688 2.16615 A62 2.11513 -0.02796 0.00000 -0.08599 -0.08599 2.02915 D1 3.10821 0.00480 0.00000 0.01380 0.01340 3.12161 D2 1.01316 0.00586 0.00000 0.01964 0.01925 1.03241 D3 -1.08093 0.00632 0.00000 0.02218 0.02179 -1.05914 D4 -1.01428 -0.00362 0.00000 -0.00724 -0.00691 -1.02119 D5 -3.10934 -0.00256 0.00000 -0.00140 -0.00105 -3.11039 D6 1.07976 -0.00210 0.00000 0.00113 0.00148 1.08125 D7 1.03949 -0.00337 0.00000 -0.01709 -0.01705 1.02244 D8 -1.05557 -0.00232 0.00000 -0.01125 -0.01120 -1.06676 D9 3.13353 -0.00186 0.00000 -0.00872 -0.00866 3.12487 D10 -1.01827 0.00282 0.00000 0.00338 0.00264 -1.01563 D11 -3.13036 -0.01146 0.00000 -0.04401 -0.04314 3.10968 D12 1.02699 0.00910 0.00000 0.04446 0.04434 1.07133 D13 1.56652 -0.00137 0.00000 0.00552 0.00557 1.57209 D14 -1.57211 -0.00323 0.00000 -0.01103 -0.01057 -1.58268 D15 -2.60300 0.01084 0.00000 0.05198 0.05035 -2.55265 D16 0.54156 0.00898 0.00000 0.03543 0.03421 0.57577 D17 -0.47082 -0.00488 0.00000 -0.01636 -0.01540 -0.48622 D18 2.67373 -0.00674 0.00000 -0.03291 -0.03153 2.64220 D19 -3.14052 0.00039 0.00000 0.00278 0.00293 -3.13759 D20 0.00015 -0.00014 0.00000 -0.00135 -0.00131 -0.00116 D21 0.00110 0.00071 0.00000 0.00578 0.00573 0.00684 D22 -3.14141 0.00017 0.00000 0.00165 0.00150 -3.13991 D23 -3.13853 0.00066 0.00000 0.00553 0.00550 -3.13303 D24 0.00117 0.00007 0.00000 0.00017 0.00040 0.00158 D25 0.00303 0.00034 0.00000 0.00253 0.00265 0.00568 D26 -3.14045 -0.00024 0.00000 -0.00283 -0.00244 3.14029 D27 3.14015 -0.00032 0.00000 -0.00280 -0.00289 3.13727 D28 0.00014 -0.00074 0.00000 -0.00537 -0.00553 -0.00538 D29 -0.00052 0.00021 0.00000 0.00132 0.00130 0.00078 D30 -3.14053 -0.00021 0.00000 -0.00125 -0.00134 3.14132 D31 3.13929 -0.00204 0.00000 -0.01835 -0.01826 3.12103 D32 -0.00504 -0.00035 0.00000 -0.00310 -0.00312 -0.00816 D33 -0.00071 -0.00246 0.00000 -0.02093 -0.02092 -0.02163 D34 3.13815 -0.00077 0.00000 -0.00568 -0.00579 3.13236 D35 -3.13580 0.00321 0.00000 0.02780 0.02804 -3.10775 D36 -0.00740 0.00285 0.00000 0.02382 0.02425 0.01684 D37 0.00883 0.00138 0.00000 0.01099 0.01087 0.01970 D38 3.13723 0.00101 0.00000 0.00700 0.00707 -3.13889 D39 -0.00783 -0.00130 0.00000 -0.01060 -0.01040 -0.01823 D40 3.13571 -0.00065 0.00000 -0.00496 -0.00471 3.13100 D41 -3.13702 -0.00063 0.00000 -0.00611 -0.00586 3.14031 D42 0.00652 0.00003 0.00000 -0.00048 -0.00016 0.00636 D43 -2.78578 0.00820 0.00000 0.05189 0.05146 -2.73432 D44 -0.64725 -0.00281 0.00000 0.00055 0.00087 -0.64639 D45 1.44014 0.00352 0.00000 0.03192 0.03196 1.47210 D46 0.34263 0.00768 0.00000 0.04753 0.04715 0.38978 D47 2.48116 -0.00333 0.00000 -0.00381 -0.00345 2.47772 D48 -1.71463 0.00300 0.00000 0.02756 0.02765 -1.68698 D49 1.03287 0.00048 0.00000 0.00357 0.00335 1.03621 D50 -2.21191 -0.00338 0.00000 -0.02187 -0.02175 -2.23367 D51 -1.04220 0.00144 0.00000 0.00768 0.00735 -1.03486 D52 1.99620 -0.00243 0.00000 -0.01776 -0.01776 1.97845 D53 -3.13034 0.00263 0.00000 0.01606 0.01611 -3.11423 D54 -0.09193 -0.00124 0.00000 -0.00938 -0.00900 -0.10093 D55 -2.68923 -0.00238 0.00000 -0.03227 -0.03263 -2.72186 D56 -0.57319 0.00076 0.00000 -0.01161 -0.01179 -0.58498 D57 1.60325 -0.00511 0.00000 -0.04000 -0.04011 1.56314 D58 0.54086 0.00104 0.00000 -0.01001 -0.01054 0.53032 D59 2.65690 0.00418 0.00000 0.01065 0.01031 2.66721 D60 -1.44985 -0.00169 0.00000 -0.01774 -0.01801 -1.46786 D61 -3.05938 0.00341 0.00000 0.01964 0.01951 -3.03987 D62 0.09285 0.00273 0.00000 0.01869 0.01875 0.11160 D63 -0.00659 -0.00041 0.00000 -0.00361 -0.00380 -0.01038 D64 -3.13754 -0.00110 0.00000 -0.00456 -0.00456 3.14108 D65 -0.86510 0.00956 0.00000 0.04918 0.04876 -0.81635 D66 1.11890 0.00439 0.00000 0.03262 0.03252 1.15142 D67 -3.00718 0.00351 0.00000 0.02334 0.02329 -2.98390 D68 -2.98944 0.00594 0.00000 0.03544 0.03504 -2.95440 D69 -1.00544 0.00077 0.00000 0.01888 0.01880 -0.98664 D70 1.15166 -0.00012 0.00000 0.00960 0.00957 1.16123 D71 1.11796 0.01030 0.00000 0.06047 0.06011 1.17807 D72 3.10196 0.00513 0.00000 0.04391 0.04387 -3.13735 D73 -1.02413 0.00424 0.00000 0.03463 0.03464 -0.98948 D74 0.84588 -0.00442 0.00000 -0.03700 -0.03706 0.80883 D75 2.97688 -0.00320 0.00000 -0.02606 -0.02570 2.95118 D76 -1.12047 -0.00558 0.00000 -0.03918 -0.03907 -1.15953 D77 -1.13476 -0.00081 0.00000 -0.01951 -0.01972 -1.15449 D78 0.99623 0.00040 0.00000 -0.00858 -0.00837 0.98787 D79 -3.10111 -0.00198 0.00000 -0.02170 -0.02173 -3.12285 D80 2.98936 -0.00150 0.00000 -0.01898 -0.01930 2.97006 D81 -1.16283 -0.00029 0.00000 -0.00805 -0.00794 -1.17077 D82 1.02301 -0.00267 0.00000 -0.02117 -0.02131 1.00170 D83 -0.53242 0.00146 0.00000 0.01961 0.01997 -0.51245 D84 2.59885 0.00230 0.00000 0.02091 0.02106 2.61991 D85 -2.66928 -0.00418 0.00000 -0.01126 -0.01070 -2.67998 D86 0.46198 -0.00335 0.00000 -0.00995 -0.00960 0.45238 D87 1.43120 0.00471 0.00000 0.03126 0.03116 1.46236 D88 -1.72072 0.00554 0.00000 0.03257 0.03226 -1.68846 D89 -0.00533 0.00050 0.00000 0.00135 0.00125 -0.00408 D90 -3.13469 -0.00025 0.00000 0.00034 0.00044 -3.13425 Item Value Threshold Converged? Maximum Force 0.060372 0.000450 NO RMS Force 0.012328 0.000300 NO Maximum Displacement 0.421805 0.001800 NO RMS Displacement 0.088084 0.001200 NO Predicted change in Energy=-3.810511D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.574030 -5.062669 2.676825 2 6 0 6.175052 -5.000784 4.154724 3 8 0 6.739466 -6.388585 2.246296 4 8 0 3.233676 -2.113145 -0.473663 5 6 0 3.935605 -2.818496 0.222005 6 7 0 5.016016 -2.316939 0.844950 7 6 0 5.856346 -3.048851 1.640352 8 8 0 6.812926 -2.519413 2.162556 9 7 0 5.583247 -4.389525 1.827431 10 6 0 4.438137 -5.003043 1.210872 11 6 0 3.654927 -4.235458 0.427838 12 1 0 7.506683 -4.526347 2.555490 13 1 0 6.073539 -3.962808 4.466425 14 1 0 6.941597 -5.478953 4.764510 15 1 0 5.228097 -1.351505 0.721344 16 6 0 4.126707 -6.495902 1.418583 17 17 0 2.250839 -4.820618 -0.398202 18 1 0 5.235332 -5.515549 4.303748 19 1 0 7.411943 -6.794828 2.799527 20 1 0 3.522932 -6.819246 0.584696 21 1 0 5.042271 -7.061434 1.450153 22 7 0 3.382398 -6.754957 2.638539 23 6 0 2.068611 -6.188661 2.943868 24 6 0 2.093370 -6.267192 4.471388 25 6 0 2.601290 -7.706158 4.619254 26 6 0 3.733553 -7.684668 3.627174 27 1 0 1.911595 -5.188729 2.552414 28 1 0 1.295903 -6.858887 2.561594 29 1 0 2.864791 -5.590836 4.832744 30 1 0 1.149619 -6.041652 4.966825 31 1 0 2.900100 -8.002882 5.619480 32 1 0 1.834515 -8.382666 4.238754 33 7 0 4.774246 -8.383999 3.729160 34 1 0 5.451642 -8.272620 3.009345 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.532056 0.000000 3 O 1.403844 2.426242 0.000000 4 O 5.457402 6.197750 6.161829 0.000000 5 C 4.245439 5.024319 4.970406 1.214157 0.000000 6 N 3.649960 4.415992 4.638141 2.226434 1.344213 7 C 2.375882 3.199013 3.507264 3.496140 2.398753 8 O 2.605705 3.245430 3.870776 4.463825 3.483414 9 N 1.468416 2.477935 2.347027 3.999677 2.785723 10 C 2.591258 3.418061 2.878880 3.555263 2.450030 11 C 3.776690 4.563598 4.178173 2.344007 1.459085 12 H 1.082684 2.134451 2.037683 5.766966 4.595053 13 H 2.159364 1.088511 3.355119 5.990871 4.888283 14 H 2.160283 1.089989 2.685086 7.246778 6.062044 15 H 4.405472 5.099221 5.475573 2.446600 2.017904 16 C 3.102696 3.730625 2.742834 4.856609 3.871903 17 Cl 5.310778 6.013404 5.440557 2.881332 2.689160 18 H 2.155015 1.081787 2.694015 6.197308 5.062017 19 H 1.928089 2.566136 0.960897 7.077418 5.877054 20 H 4.095335 4.804752 3.645885 4.832306 4.038298 21 H 2.801085 3.583877 1.991744 5.608712 4.553635 22 N 3.612730 3.629718 3.399705 5.590558 4.652032 23 C 4.651663 4.442981 4.726887 5.444880 4.717226 24 C 4.974701 4.285347 5.152862 6.558195 5.774477 25 C 5.152060 4.506286 4.948882 7.590752 6.708610 26 C 3.980748 3.666396 3.552769 6.936037 5.942696 27 H 4.665798 4.558485 4.984145 4.512677 3.891713 28 H 5.576586 5.458636 5.472932 5.957333 5.363438 29 H 4.322662 3.430117 4.726439 6.355184 5.485566 30 H 5.968814 5.195950 6.226398 7.026761 6.376815 31 H 5.549940 4.677971 5.359576 8.480959 7.555321 32 H 5.993747 5.503131 5.657278 7.966895 7.176966 33 N 3.921462 3.686395 3.169014 7.704588 6.631612 34 H 3.416740 3.541204 2.406309 7.415514 6.309921 6 7 8 9 10 6 N 0.000000 7 C 1.369128 0.000000 8 O 2.237402 1.211631 0.000000 9 N 2.362759 1.380937 2.263126 0.000000 10 C 2.771822 2.452476 3.565635 1.437994 0.000000 11 C 2.388986 2.779293 3.990867 2.387680 1.347496 12 H 3.743107 2.396682 2.159509 2.061164 3.383964 13 H 4.116104 2.978116 2.817427 2.717860 3.788833 14 H 5.391581 4.104087 3.942791 3.414440 4.372888 15 H 0.996153 2.029841 2.439833 3.252556 3.767945 16 C 4.310876 3.863029 4.856103 2.593355 1.539077 17 Cl 3.931925 4.504945 5.715388 4.030412 2.721519 18 H 4.716193 3.682925 4.006287 2.742466 3.234820 19 H 5.441721 4.218521 4.363912 3.174049 3.818094 20 H 4.750558 4.557972 5.639351 3.419479 2.127978 21 H 4.783011 4.098746 4.926733 2.752108 2.158520 22 N 5.057832 4.566401 5.471282 3.331202 2.494398 23 C 5.299328 5.089646 6.048335 4.103168 3.166009 24 C 6.107160 5.703724 6.453741 4.763968 4.210340 25 C 7.008562 6.415587 7.118678 5.261787 4.722066 26 C 6.180452 5.472158 6.189306 4.185501 3.677780 27 H 4.560706 4.579519 5.594666 3.826925 2.866640 28 H 6.116813 6.013543 7.030492 5.001807 3.891303 29 H 5.590051 5.059887 5.670214 4.226709 3.992352 30 H 6.768482 6.494271 7.234856 5.678237 5.099043 31 H 7.720310 7.008229 7.571590 5.885174 5.549812 32 H 7.644141 7.167733 7.966989 5.984367 5.231516 33 N 6.722077 5.830769 6.403424 4.497430 4.229137 34 H 6.351732 5.415320 5.972398 4.061117 3.866760 11 12 13 14 15 11 C 0.000000 12 H 4.409937 0.000000 13 H 4.715315 2.454211 0.000000 14 H 5.581684 2.471144 1.772309 0.000000 15 H 3.298211 4.316905 4.643200 6.026533 0.000000 16 C 2.512719 4.073812 4.415434 4.489211 5.306979 17 Cl 1.730958 6.036123 6.246075 7.006440 4.706611 18 H 4.377098 3.032154 1.772021 1.767761 5.492989 19 H 5.127422 2.283536 3.548269 2.411205 6.222363 20 H 2.591909 5.001169 5.452766 5.563677 5.729089 21 H 3.309984 3.704290 4.445548 4.134809 5.759253 22 N 3.362937 4.688638 4.287132 4.337722 6.023250 23 C 3.558343 5.699715 4.828255 5.250182 6.190318 24 C 4.787139 6.000431 4.599126 4.920625 6.932050 25 C 5.542912 6.199452 5.108086 4.880554 7.904140 26 C 4.705208 5.035872 4.475726 4.055892 7.126462 27 H 2.908909 5.634161 4.742162 5.502592 5.392244 28 H 4.123141 6.634348 5.902666 6.215378 7.012840 29 H 4.675956 5.278844 3.616729 4.078912 6.360877 30 H 5.490110 6.965842 5.368145 5.822763 7.526989 31 H 6.458823 6.534137 5.265211 4.840960 8.582082 32 H 5.919148 7.062441 6.128320 5.898327 8.563048 33 N 5.418671 4.870851 4.666760 3.769436 7.662174 34 H 5.117718 4.296945 4.591766 3.620103 7.292925 16 17 18 19 20 16 C 0.000000 17 Cl 3.102606 0.000000 18 H 3.242579 5.612348 0.000000 19 H 3.576191 6.384353 2.938856 0.000000 20 H 1.079103 2.564922 4.296893 4.475542 0.000000 21 H 1.076607 4.028618 3.251159 2.739933 1.765237 22 N 1.452377 3.774107 2.782520 4.032957 2.059649 23 C 2.580048 3.615823 3.511477 5.379542 2.842249 24 C 3.675103 5.082349 3.234965 5.600067 4.177892 25 C 3.746453 5.798622 3.440420 5.223439 4.232457 26 C 2.538820 5.157991 2.723632 3.873935 3.170171 27 H 2.810870 2.992778 3.771102 5.735368 3.021077 28 H 3.074359 3.718446 4.512069 6.121002 2.978147 29 H 3.750742 5.322872 2.430015 5.124468 4.470800 30 H 4.653967 5.611338 4.172470 6.669420 5.043840 31 H 4.628508 6.838190 3.656678 5.456030 5.209411 32 H 4.094800 5.861985 4.448612 5.974974 4.318237 33 N 3.053356 6.008359 2.961546 3.216695 3.728524 34 H 2.728132 5.811440 3.053475 2.463874 3.422154 21 22 23 24 25 21 H 0.000000 22 N 2.064308 0.000000 23 C 3.440286 1.462857 0.000000 24 C 4.295893 2.293216 1.529737 0.000000 25 C 4.051821 2.331983 2.322383 1.533125 0.000000 26 C 2.615450 1.401810 2.340294 2.326400 1.505558 27 H 3.810923 2.150290 1.085244 2.208752 3.329408 28 H 3.913004 2.090498 1.091978 2.152526 2.579897 29 H 4.283223 2.537248 2.135216 1.087716 2.142334 30 H 5.344125 3.303788 2.226772 1.089491 2.235785 31 H 4.781057 3.267405 3.337915 2.231939 1.085258 32 H 4.451027 2.757909 2.558357 2.143911 1.091049 33 N 2.648563 2.404261 3.571645 3.495550 2.444069 34 H 2.016342 2.592792 3.973924 4.175800 3.322227 26 27 28 29 30 26 C 0.000000 27 H 3.271751 0.000000 28 H 2.785590 1.780053 0.000000 29 H 2.567543 2.504033 3.037677 0.000000 30 H 3.342287 2.671604 2.544485 1.778490 0.000000 31 H 2.182931 4.278259 3.637697 2.537354 2.708610 32 H 2.113664 3.612605 2.329135 3.034568 2.545489 33 N 1.257977 4.448511 3.973417 3.558886 4.489579 34 H 1.918132 4.717107 4.412402 4.148319 5.226504 31 32 33 34 31 H 0.000000 32 H 1.784969 0.000000 33 N 2.689048 2.983573 0.000000 34 H 3.660045 3.821932 0.994688 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 0.035477 2.377110 -0.354222 2 6 0 0.945750 2.572070 0.862573 3 8 0 0.782720 2.192163 -1.528189 4 8 0 -3.732773 -1.476732 0.501011 5 6 0 -2.853693 -0.665653 0.292339 6 7 0 -3.011334 0.625544 0.631257 7 6 0 -2.069493 1.597451 0.424270 8 8 0 -2.293534 2.740994 0.756181 9 7 0 -0.873010 1.239120 -0.164811 10 6 0 -0.615366 -0.123909 -0.543754 11 6 0 -1.585256 -1.034033 -0.327576 12 1 0 -0.584256 3.258820 -0.457782 13 1 0 0.341456 2.733071 1.753507 14 1 0 1.586436 3.440431 0.709120 15 1 0 -3.868248 0.901893 1.057461 16 6 0 0.717568 -0.529870 -1.197393 17 17 0 -1.442400 -2.709385 -0.738678 18 1 0 1.566586 1.697091 1.001272 19 1 0 1.345638 2.962554 -1.641956 20 1 0 0.542114 -1.438896 -1.751786 21 1 0 1.052294 0.247348 -1.862953 22 7 0 1.767413 -0.790913 -0.228331 23 6 0 1.692628 -1.807486 0.820924 24 6 0 2.684694 -1.223642 1.828409 25 6 0 3.826930 -0.892812 0.860773 26 6 0 3.048498 -0.221908 -0.239516 27 1 0 0.695510 -1.965559 1.219073 28 1 0 2.086804 -2.748563 0.431803 29 1 0 2.273125 -0.290761 2.207183 30 1 0 2.941085 -1.874605 2.663575 31 1 0 4.629023 -0.283632 1.264918 32 1 0 4.226274 -1.828612 0.466829 33 7 0 3.513433 0.678776 -0.984573 34 1 0 2.893712 1.045962 -1.670521 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4686826 0.3047041 0.2193808 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1710.2575491948 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.68D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999933 -0.009014 -0.006333 0.003624 Ang= -1.33 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.14079930 A.U. after 14 cycles NFock= 14 Conv=0.48D-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 0.006790897 -0.005987800 0.017930844 2 6 -0.001321000 0.001881941 -0.004953735 3 8 0.015086936 0.002845478 0.006438473 4 8 0.020689186 -0.014393212 0.018933190 5 6 -0.049988628 0.025910802 -0.043517732 6 7 0.015010485 -0.019548588 0.016565294 7 6 0.028999505 0.015546065 0.014254652 8 8 -0.018705475 -0.006130527 -0.009583936 9 7 -0.022310729 -0.006703704 -0.020293054 10 6 0.011570995 0.007315204 0.003721290 11 6 0.012063670 -0.011337207 0.012019724 12 1 -0.006971727 -0.001894384 -0.004296803 13 1 0.001845834 -0.004170359 -0.000600990 14 1 -0.002598957 0.002044140 -0.001107719 15 1 0.001281744 0.001514356 0.000467028 16 6 -0.009217996 -0.001982265 0.008721533 17 17 0.001327242 0.000014183 0.000279419 18 1 0.002491640 0.000462009 0.001821938 19 1 -0.009036049 0.005773049 -0.008329161 20 1 0.004608081 0.001226101 -0.003418268 21 1 -0.007752948 0.003156020 -0.004593153 22 7 0.006847420 0.002213715 0.011620161 23 6 -0.000635055 -0.001016296 0.003409972 24 6 -0.005698635 -0.003082552 -0.000926323 25 6 -0.003513936 0.008019422 0.003718605 26 6 0.014572888 -0.000922922 -0.019864321 27 1 0.004820408 -0.004383546 -0.000564900 28 1 -0.002748162 0.008304083 -0.002304064 29 1 -0.005830302 0.002160114 0.002503246 30 1 0.002875265 -0.003151061 -0.003909574 31 1 0.001997271 -0.000472319 -0.005738356 32 1 0.002563622 -0.001528587 0.005496944 33 7 -0.008060768 -0.005866846 0.012784818 34 1 -0.001052724 0.004185492 -0.006685042 ------------------------------------------------------------------- Cartesian Forces: Max 0.049988628 RMS 0.011345978 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.031170437 RMS 0.005339118 Search for a local minimum. Step number 2 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.39D-02 DEPred=-3.81D-02 R= 8.90D-01 TightC=F SS= 1.41D+00 RLast= 3.69D-01 DXNew= 5.0454D-01 1.1068D+00 Trust test= 8.90D-01 RLast= 3.69D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00234 0.00249 0.00650 0.00763 0.00958 Eigenvalues --- 0.00976 0.01026 0.01138 0.01198 0.01265 Eigenvalues --- 0.01403 0.01520 0.01772 0.01862 0.02048 Eigenvalues --- 0.02147 0.02341 0.02465 0.03233 0.03365 Eigenvalues --- 0.03827 0.04847 0.04959 0.05064 0.05330 Eigenvalues --- 0.05644 0.05675 0.05788 0.05847 0.06093 Eigenvalues --- 0.06521 0.06828 0.07026 0.07962 0.08048 Eigenvalues --- 0.08136 0.08925 0.09897 0.10423 0.13208 Eigenvalues --- 0.15602 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16085 0.18159 0.20026 0.20306 0.21086 Eigenvalues --- 0.21925 0.22222 0.24405 0.24695 0.24996 Eigenvalues --- 0.24998 0.24998 0.24999 0.25000 0.25000 Eigenvalues --- 0.26889 0.27825 0.28010 0.28562 0.30403 Eigenvalues --- 0.31794 0.32170 0.33662 0.33774 0.33809 Eigenvalues --- 0.33818 0.33837 0.33890 0.33910 0.33933 Eigenvalues --- 0.33963 0.34313 0.34623 0.34669 0.34960 Eigenvalues --- 0.36347 0.36713 0.37637 0.39391 0.41633 Eigenvalues --- 0.42324 0.46440 0.47869 0.48787 0.49377 Eigenvalues --- 0.50982 0.56409 0.59177 0.75953 0.84537 Eigenvalues --- 0.89642 RFO step: Lambda=-2.34327730D-02 EMin= 2.34256029D-03 Quartic linear search produced a step of 0.43093. Iteration 1 RMS(Cart)= 0.15022420 RMS(Int)= 0.00722493 Iteration 2 RMS(Cart)= 0.01160281 RMS(Int)= 0.00062728 Iteration 3 RMS(Cart)= 0.00006432 RMS(Int)= 0.00062623 Iteration 4 RMS(Cart)= 0.00000014 RMS(Int)= 0.00062623 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89517 -0.00477 -0.00575 -0.01696 -0.02270 2.87246 R2 2.65288 -0.00685 -0.01466 -0.01155 -0.02621 2.62667 R3 2.77490 0.00780 -0.00824 0.03464 0.02640 2.80130 R4 2.04598 -0.00646 -0.01229 -0.01592 -0.02822 2.01776 R5 2.05699 -0.00432 -0.00838 -0.01058 -0.01896 2.03803 R6 2.05978 -0.00334 -0.00714 -0.00773 -0.01487 2.04491 R7 2.04428 -0.00213 -0.00771 -0.00258 -0.01029 2.03399 R8 1.81583 -0.01356 -0.02195 -0.02195 -0.04390 1.77193 R9 2.29442 -0.03117 -0.01712 -0.03742 -0.05454 2.23989 R10 2.54019 0.01836 0.01760 0.03070 0.04868 2.58887 R11 2.75727 0.00339 0.00341 0.01075 0.01463 2.77190 R12 2.58728 -0.00631 -0.01179 -0.00887 -0.02070 2.56658 R13 1.88246 0.00168 0.00190 0.00333 0.00523 1.88769 R14 2.28965 -0.02158 -0.01935 -0.02175 -0.04110 2.24855 R15 2.60959 -0.00061 -0.01833 0.00887 -0.00994 2.59966 R16 2.71742 -0.01148 -0.02732 -0.02532 -0.05307 2.66434 R17 2.54640 -0.00641 0.00551 -0.01880 -0.01321 2.53319 R18 2.90843 -0.00536 -0.00679 -0.01934 -0.02612 2.88231 R19 3.27104 -0.00121 -0.00185 -0.00353 -0.00538 3.26566 R20 2.03921 -0.00030 -0.01035 0.00605 -0.00430 2.03491 R21 2.03449 -0.00839 -0.00958 -0.02426 -0.03384 2.00065 R22 2.74459 -0.00433 -0.00134 -0.01394 -0.01529 2.72931 R23 2.76440 0.00160 0.01086 -0.00182 0.00942 2.77382 R24 2.64904 -0.00699 -0.00730 -0.01892 -0.02609 2.62295 R25 2.89078 -0.00261 -0.00664 -0.00450 -0.01121 2.87957 R26 2.05081 -0.00453 -0.01005 -0.01016 -0.02021 2.03060 R27 2.06354 -0.00235 -0.00488 -0.00549 -0.01037 2.05317 R28 2.89719 -0.00117 0.00306 -0.00305 -0.00012 2.89707 R29 2.05548 -0.00196 -0.00850 -0.00150 -0.01000 2.04548 R30 2.05884 -0.00492 -0.00735 -0.01357 -0.02091 2.03793 R31 2.84509 0.00606 0.01210 0.01245 0.02425 2.86934 R32 2.05084 -0.00461 -0.01114 -0.00976 -0.02089 2.02995 R33 2.06178 -0.00277 -0.00664 -0.00591 -0.01255 2.04923 R34 2.37723 -0.00611 -0.01263 -0.00360 -0.01623 2.36100 R35 1.87969 0.00459 0.00376 0.00982 0.01358 1.89327 A1 1.94408 0.00297 0.01917 0.02502 0.04317 1.98726 A2 1.94310 0.00128 0.01995 0.00875 0.02767 1.97077 A3 1.88855 0.00242 0.00589 0.01144 0.01839 1.90694 A4 1.91249 0.00063 -0.02789 0.04479 0.01393 1.92642 A5 1.90920 -0.00315 -0.00120 -0.04511 -0.04787 1.86133 A6 1.86431 -0.00457 -0.01564 -0.05000 -0.06629 1.79802 A7 1.91669 -0.00025 0.00246 -0.00452 -0.00216 1.91453 A8 1.91644 0.00040 0.00307 -0.00292 0.00011 1.91655 A9 1.91759 0.00298 0.00293 0.02310 0.02591 1.94350 A10 1.90045 -0.00110 -0.00483 -0.01073 -0.01559 1.88485 A11 1.91059 -0.00041 0.00021 0.00287 0.00292 1.91351 A12 1.90190 -0.00166 -0.00391 -0.00811 -0.01208 1.88982 A13 1.88096 0.00033 -0.01240 0.01400 0.00161 1.88256 A14 2.10997 0.00398 0.00972 0.01036 0.01958 2.12955 A15 2.13387 0.01475 0.02016 0.05646 0.07607 2.20994 A16 2.03934 -0.01873 -0.02988 -0.06688 -0.09597 1.94337 A17 2.16891 0.01200 0.02739 0.04952 0.07711 2.24602 A18 2.06602 -0.00491 -0.01000 -0.02005 -0.03016 2.03586 A19 2.04824 -0.00708 -0.01739 -0.02947 -0.04696 2.00128 A20 2.09597 -0.00098 0.00702 -0.00948 -0.00213 2.09384 A21 2.06726 -0.00586 -0.01953 -0.01608 -0.03628 2.03098 A22 2.11995 0.00684 0.01251 0.02556 0.03841 2.15836 A23 1.97140 -0.01549 -0.02135 -0.05793 -0.07883 1.89257 A24 2.20153 0.01385 0.00317 0.07067 0.07428 2.27581 A25 2.11018 0.00165 0.01815 -0.01238 0.00457 2.11475 A26 2.05892 0.00446 -0.00117 0.01746 0.01560 2.07452 A27 2.11426 0.01141 -0.02070 0.07663 0.05584 2.17010 A28 2.10987 -0.01585 0.02185 -0.09344 -0.07158 2.03829 A29 2.12159 0.00646 0.00498 0.02782 0.03324 2.15483 A30 2.00095 -0.00274 -0.02648 0.00711 -0.01959 1.98137 A31 2.16062 -0.00372 0.02149 -0.03498 -0.01373 2.14689 A32 1.87504 -0.00455 -0.01140 -0.03841 -0.05009 1.82495 A33 1.91920 0.00097 -0.00658 0.01830 0.01078 1.92998 A34 1.97150 0.00087 0.01499 -0.00151 0.01321 1.98471 A35 1.91886 -0.00251 -0.00863 -0.02654 -0.03599 1.88288 A36 1.88485 0.00386 0.00551 0.02869 0.03447 1.91931 A37 1.89388 0.00126 0.00622 0.01799 0.02373 1.91761 A38 2.17308 -0.00466 -0.00658 -0.02357 -0.03038 2.14270 A39 2.19237 0.00029 -0.00034 -0.00317 -0.00373 2.18864 A40 1.91189 0.00416 0.00600 0.02302 0.02843 1.94032 A41 1.74570 0.00095 0.01592 0.00917 0.02394 1.76964 A42 1.99472 -0.00155 -0.00362 -0.02911 -0.03315 1.96156 A43 1.90164 0.00055 -0.00119 0.01693 0.01593 1.91758 A44 1.99306 0.00180 0.00048 0.01796 0.01940 2.01246 A45 1.90658 0.00077 -0.00320 0.01151 0.00769 1.91427 A46 1.91438 -0.00217 -0.00658 -0.02185 -0.02869 1.88570 A47 1.72122 -0.00121 -0.01187 0.02014 0.00633 1.72755 A48 1.88735 -0.00003 -0.00174 -0.00282 -0.00435 1.88300 A49 2.01466 0.00071 0.00769 -0.00417 0.00424 2.01890 A50 1.89296 -0.00056 -0.00121 0.00166 0.00121 1.89417 A51 2.02352 0.00223 0.01236 -0.00056 0.01200 2.03552 A52 1.91192 -0.00122 -0.00614 -0.01155 -0.01800 1.89392 A53 1.74386 0.00353 0.02480 0.02261 0.04622 1.79008 A54 2.02276 0.00182 0.00182 0.02137 0.02415 2.04691 A55 1.89178 0.00014 -0.00299 0.00558 0.00277 1.89455 A56 1.98685 -0.00256 -0.01030 -0.01675 -0.02808 1.95876 A57 1.88344 -0.00132 -0.00802 -0.01022 -0.01882 1.86463 A58 1.92345 -0.00136 -0.00348 -0.02011 -0.02452 1.89894 A59 1.86064 -0.00425 -0.01517 -0.00480 -0.02075 1.83989 A60 2.25636 0.00680 0.01814 0.01773 0.03626 2.29261 A61 2.16615 -0.00254 -0.00297 -0.01290 -0.01548 2.15067 A62 2.02915 -0.01209 -0.03705 -0.05634 -0.09339 1.93575 D1 3.12161 -0.00227 0.00577 -0.05090 -0.04572 3.07589 D2 1.03241 -0.00101 0.00830 -0.03308 -0.02534 1.00707 D3 -1.05914 -0.00106 0.00939 -0.03564 -0.02678 -1.08592 D4 -1.02119 0.00158 -0.00298 0.03101 0.02863 -0.99256 D5 -3.11039 0.00285 -0.00045 0.04883 0.04901 -3.06138 D6 1.08125 0.00280 0.00064 0.04627 0.04757 1.12881 D7 1.02244 -0.00176 -0.00735 -0.01782 -0.02526 0.99717 D8 -1.06676 -0.00050 -0.00483 -0.00000 -0.00488 -1.07165 D9 3.12487 -0.00055 -0.00373 -0.00256 -0.00632 3.11855 D10 -1.01563 0.00005 0.00114 0.00417 0.00566 -1.00998 D11 3.10968 -0.00408 -0.01859 -0.05586 -0.07410 3.03558 D12 1.07133 0.00288 0.01911 0.00476 0.02317 1.09450 D13 1.57209 0.00039 0.00240 0.04008 0.04205 1.61414 D14 -1.58268 0.00073 -0.00455 0.07159 0.06721 -1.51547 D15 -2.55265 0.00551 0.02170 0.10961 0.13021 -2.42244 D16 0.57577 0.00585 0.01474 0.14112 0.15537 0.73114 D17 -0.48622 -0.00049 -0.00664 0.05159 0.04558 -0.44064 D18 2.64220 -0.00015 -0.01359 0.08310 0.07073 2.71294 D19 -3.13759 0.00007 0.00126 -0.00284 -0.00078 -3.13838 D20 -0.00116 -0.00009 -0.00056 -0.00321 -0.00337 -0.00452 D21 0.00684 0.00076 0.00247 0.02028 0.02218 0.02902 D22 -3.13991 0.00060 0.00064 0.01991 0.01960 -3.12031 D23 -3.13303 0.00031 0.00237 0.00392 0.00664 -3.12639 D24 0.00158 0.00007 0.00017 -0.00234 -0.00139 0.00018 D25 0.00568 -0.00041 0.00114 -0.01964 -0.01774 -0.01206 D26 3.14029 -0.00066 -0.00105 -0.02590 -0.02577 3.11452 D27 3.13727 0.00017 -0.00124 0.00834 0.00662 -3.13930 D28 -0.00538 0.00004 -0.00238 0.01085 0.00768 0.00230 D29 0.00078 0.00032 0.00056 0.00868 0.00913 0.00991 D30 3.14132 0.00019 -0.00058 0.01120 0.01018 -3.13169 D31 3.12103 -0.00082 -0.00787 -0.01320 -0.02144 3.09959 D32 -0.00816 -0.00125 -0.00135 -0.04359 -0.04451 -0.05267 D33 -0.02163 -0.00096 -0.00902 -0.01067 -0.02037 -0.04200 D34 3.13236 -0.00139 -0.00249 -0.04106 -0.04343 3.08892 D35 -3.10775 0.00130 0.01209 0.00976 0.02079 -3.08697 D36 0.01684 0.00209 0.01045 0.05223 0.06367 0.08051 D37 0.01970 0.00155 0.00469 0.04334 0.04821 0.06791 D38 -3.13889 0.00235 0.00305 0.08581 0.09109 -3.04779 D39 -0.01823 -0.00072 -0.00448 -0.01129 -0.01519 -0.03342 D40 3.13100 -0.00045 -0.00203 -0.00465 -0.00640 3.12460 D41 3.14031 -0.00178 -0.00252 -0.05538 -0.05608 3.08423 D42 0.00636 -0.00152 -0.00007 -0.04874 -0.04730 -0.04094 D43 -2.73432 0.00198 0.02218 -0.04710 -0.02535 -2.75968 D44 -0.64639 -0.00322 0.00037 -0.09162 -0.09092 -0.73730 D45 1.47210 -0.00032 0.01377 -0.05643 -0.04241 1.42969 D46 0.38978 0.00300 0.02032 -0.00225 0.01753 0.40731 D47 2.47772 -0.00220 -0.00149 -0.04677 -0.04803 2.42969 D48 -1.68698 0.00070 0.01192 -0.01158 0.00048 -1.68650 D49 1.03621 -0.00161 0.00144 -0.03215 -0.03139 1.00483 D50 -2.23367 -0.00359 -0.00937 -0.07127 -0.08028 -2.31395 D51 -1.03486 0.00097 0.00317 -0.00250 0.00011 -1.03475 D52 1.97845 -0.00101 -0.00765 -0.04162 -0.04878 1.92967 D53 -3.11423 0.00109 0.00694 0.00293 0.00954 -3.10470 D54 -0.10093 -0.00089 -0.00388 -0.03619 -0.03936 -0.14028 D55 -2.72186 -0.00237 -0.01406 -0.05914 -0.07343 -2.79529 D56 -0.58498 -0.00035 -0.00508 -0.04603 -0.05164 -0.63661 D57 1.56314 -0.00385 -0.01729 -0.08210 -0.09952 1.46362 D58 0.53032 -0.00052 -0.00454 -0.02431 -0.02933 0.50099 D59 2.66721 0.00149 0.00444 -0.01120 -0.00754 2.65966 D60 -1.46786 -0.00201 -0.00776 -0.04726 -0.05542 -1.52329 D61 -3.03987 0.00138 0.00841 0.01940 0.02815 -3.01172 D62 0.11160 0.00119 0.00808 0.01486 0.02344 0.13503 D63 -0.01038 -0.00087 -0.00164 -0.01748 -0.01936 -0.02974 D64 3.14108 -0.00107 -0.00196 -0.02202 -0.02407 3.11701 D65 -0.81635 0.00360 0.02101 0.05868 0.07901 -0.73733 D66 1.15142 0.00247 0.01401 0.06807 0.08166 1.23308 D67 -2.98390 0.00135 0.01004 0.04782 0.05774 -2.92616 D68 -2.95440 0.00396 0.01510 0.07888 0.09348 -2.86093 D69 -0.98664 0.00284 0.00810 0.08828 0.09613 -0.89051 D70 1.16123 0.00171 0.00412 0.06802 0.07220 1.23344 D71 1.17807 0.00492 0.02590 0.08585 0.11131 1.28937 D72 -3.13735 0.00379 0.01891 0.09525 0.11395 -3.02340 D73 -0.98948 0.00267 0.01493 0.07500 0.09003 -0.89945 D74 0.80883 -0.00254 -0.01597 -0.06215 -0.07877 0.73006 D75 2.95118 -0.00229 -0.01108 -0.05600 -0.06674 2.88444 D76 -1.15953 -0.00266 -0.01684 -0.06252 -0.07942 -1.23896 D77 -1.15449 -0.00183 -0.00850 -0.06810 -0.07706 -1.23155 D78 0.98787 -0.00158 -0.00361 -0.06195 -0.06503 0.92283 D79 -3.12285 -0.00195 -0.00937 -0.06847 -0.07772 3.08262 D80 2.97006 -0.00137 -0.00832 -0.05370 -0.06280 2.90726 D81 -1.17077 -0.00113 -0.00342 -0.04755 -0.05077 -1.22155 D82 1.00170 -0.00150 -0.00918 -0.05407 -0.06346 0.93824 D83 -0.51245 0.00196 0.00860 0.05079 0.06011 -0.45234 D84 2.61991 0.00221 0.00908 0.05525 0.06471 2.68462 D85 -2.67998 -0.00123 -0.00461 0.01881 0.01540 -2.66458 D86 0.45238 -0.00098 -0.00414 0.02326 0.01999 0.47238 D87 1.46236 0.00319 0.01343 0.06322 0.07632 1.53869 D88 -1.68846 0.00344 0.01390 0.06767 0.08092 -1.60754 D89 -0.00408 -0.00066 0.00054 -0.01678 -0.01634 -0.02042 D90 -3.13425 -0.00089 0.00019 -0.02211 -0.02182 3.12712 Item Value Threshold Converged? Maximum Force 0.031170 0.000450 NO RMS Force 0.005339 0.000300 NO Maximum Displacement 0.796212 0.001800 NO RMS Displacement 0.153223 0.001200 NO Predicted change in Energy=-1.901323D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.674846 -4.988394 2.685213 2 6 0 6.309282 -5.008161 4.160509 3 8 0 7.094141 -6.218934 2.193285 4 8 0 3.185947 -2.209651 -0.483044 5 6 0 3.869279 -2.904139 0.191992 6 7 0 4.951924 -2.415171 0.874351 7 6 0 5.821813 -3.081962 1.676424 8 8 0 6.716034 -2.496736 2.199585 9 7 0 5.599064 -4.430615 1.831375 10 6 0 4.485895 -5.059340 1.236895 11 6 0 3.680522 -4.336450 0.445849 12 1 0 7.481923 -4.306422 2.531461 13 1 0 6.058427 -4.011103 4.486180 14 1 0 7.155509 -5.347269 4.743511 15 1 0 5.142413 -1.439868 0.772672 16 6 0 4.104200 -6.519759 1.455711 17 17 0 2.302261 -5.003217 -0.355520 18 1 0 5.481696 -5.669638 4.350404 19 1 0 7.833281 -6.494589 2.700142 20 1 0 3.497042 -6.771625 0.602786 21 1 0 4.964617 -7.136303 1.435677 22 7 0 3.363333 -6.750279 2.673883 23 6 0 2.094676 -6.074868 2.972028 24 6 0 2.012591 -6.242487 4.484359 25 6 0 2.478376 -7.699302 4.589318 26 6 0 3.628172 -7.750624 3.598940 27 1 0 2.079225 -5.059411 2.620940 28 1 0 1.273316 -6.606714 2.499835 29 1 0 2.766813 -5.607219 4.930700 30 1 0 1.059067 -6.006658 4.929528 31 1 0 2.763260 -8.056271 5.561595 32 1 0 1.696884 -8.340486 4.196770 33 7 0 4.574156 -8.561704 3.689694 34 1 0 5.221015 -8.442630 2.933952 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520042 0.000000 3 O 1.389975 2.439661 0.000000 4 O 5.470985 6.256953 6.205728 0.000000 5 C 4.293189 5.111717 5.039124 1.185297 0.000000 6 N 3.587361 4.400551 4.560405 2.236835 1.369972 7 C 2.319440 3.180966 3.424406 3.517387 2.459176 8 O 2.538875 3.212153 3.741358 4.443020 3.507195 9 N 1.482385 2.502566 2.358881 4.014019 2.830169 10 C 2.625674 3.445994 3.010363 3.573343 2.473242 11 C 3.795492 4.600030 4.272011 2.372914 1.466829 12 H 1.067753 2.126340 1.980515 5.651468 4.526666 13 H 2.139755 1.078478 3.347325 6.015776 4.945482 14 H 2.143926 1.082121 2.695778 7.274541 6.122460 15 H 4.312563 5.056851 5.354144 2.448907 2.025377 16 C 3.234961 3.803058 3.094230 4.814456 3.837301 17 Cl 5.325953 6.037447 5.562058 2.932776 2.676087 18 H 2.158834 1.076341 2.748612 6.372142 5.247882 19 H 1.900216 2.581611 0.937666 7.077505 5.907238 20 H 4.197005 4.865788 3.971684 4.699725 3.907014 21 H 3.016577 3.709693 2.439346 5.578266 4.545077 22 N 3.751065 3.731441 3.798977 5.533078 4.605275 23 C 4.715999 4.507023 5.061803 5.297952 4.575078 24 C 5.152310 4.482186 5.574202 6.505046 5.745979 25 C 5.346494 4.701272 5.407194 7.507714 6.653170 26 C 4.212723 3.876185 4.041643 6.896414 5.929067 27 H 4.596619 4.501809 5.164955 4.356683 3.708002 28 H 5.641795 5.538426 5.841776 5.647113 5.076832 29 H 4.549493 3.674392 5.156879 6.405292 5.565737 30 H 6.132763 5.399365 6.629796 6.945273 6.321959 31 H 5.743340 4.881423 5.786004 8.420172 7.523322 32 H 6.188815 5.690336 6.135578 7.855260 7.093054 33 N 4.265023 3.982461 3.752084 7.725764 6.688707 34 H 3.755961 3.805830 3.000335 7.393740 6.326169 6 7 8 9 10 6 N 0.000000 7 C 1.358174 0.000000 8 O 2.207936 1.189882 0.000000 9 N 2.323080 1.375679 2.263424 0.000000 10 C 2.709290 2.426496 3.530896 1.409909 0.000000 11 C 2.343372 2.770051 3.959100 2.368407 1.340504 12 H 3.567035 2.233015 1.992910 2.012636 3.349472 13 H 4.100812 2.968842 2.820332 2.726719 3.758924 14 H 5.331359 4.039478 3.845807 3.426852 4.416570 15 H 0.998920 1.993697 2.372622 3.205301 3.707708 16 C 4.231342 3.849332 4.853837 2.596201 1.525253 17 Cl 3.902727 4.495249 5.682640 3.997410 2.703182 18 H 4.791155 3.736565 4.027024 2.809709 3.325360 19 H 5.317649 4.091458 4.181104 3.163301 3.925051 20 H 4.600992 4.491199 5.584474 3.377610 2.076499 21 H 4.754402 4.150954 5.017628 2.807106 2.140669 22 N 4.955310 4.527206 5.436744 3.330038 2.486836 23 C 5.094850 4.952537 5.895477 4.035516 3.124086 24 C 6.026623 5.690658 6.432202 4.814976 4.250070 25 C 6.916752 6.401824 7.122869 5.294266 4.715747 26 C 6.135370 5.504955 6.252713 4.246311 3.682113 27 H 4.277263 4.336978 5.314588 3.661702 2.776264 28 H 5.808906 5.812977 6.826804 4.888183 3.782862 29 H 5.605163 5.128378 5.721053 4.360259 4.110914 30 H 6.670650 6.466860 7.195374 5.717869 5.126021 31 H 7.653922 7.013776 7.604996 5.924669 5.536434 32 H 7.532802 7.142776 7.958016 6.009092 5.225453 33 N 6.771169 5.969713 6.602416 4.644316 4.276747 34 H 6.375314 5.538871 6.174790 4.177901 3.855782 11 12 13 14 15 11 C 0.000000 12 H 4.336050 0.000000 13 H 4.699422 2.436079 0.000000 14 H 5.618469 2.466389 1.747898 0.000000 15 H 3.261002 4.096801 4.608739 5.923504 0.000000 16 C 2.442573 4.179127 4.392733 4.636254 5.229696 17 Cl 1.728112 5.970685 6.207668 7.047872 4.694331 18 H 4.501908 3.027841 1.761191 1.749316 5.550338 19 H 5.194691 2.222607 3.536628 2.439482 6.042030 20 H 2.447115 5.067177 5.409430 5.706030 5.582450 21 H 3.235403 3.942815 4.502096 4.352289 5.737644 22 N 3.300199 4.791190 4.248652 4.542290 5.914406 23 C 3.452330 5.687172 4.718380 5.411062 5.967336 24 C 4.767026 6.121744 4.620376 5.226680 6.829171 25 C 5.470125 6.386070 5.141033 5.237501 7.800282 26 C 4.647721 5.277635 4.547236 4.419080 7.078585 27 H 2.796042 5.455652 4.517978 5.509704 5.089236 28 H 3.894560 6.621113 5.794830 6.420318 6.682014 29 H 4.750117 5.447998 3.685093 4.400372 6.348189 30 H 5.455731 7.063611 5.401148 6.134819 7.403293 31 H 6.391346 6.746025 5.327103 5.224922 8.507112 32 H 5.834084 7.246626 6.152266 6.249389 8.438878 33 N 5.401285 5.282426 4.852362 4.255174 7.717026 34 H 5.042270 4.730953 4.769602 4.074068 7.329119 16 17 18 19 20 16 C 0.000000 17 Cl 2.971101 0.000000 18 H 3.316542 5.718273 0.000000 19 H 3.931321 6.492569 2.988956 0.000000 20 H 1.076828 2.339470 4.381538 4.824792 0.000000 21 H 1.058699 3.853126 3.303651 3.199985 1.726405 22 N 1.444288 3.654501 2.909634 4.477332 2.075518 23 C 2.556430 3.502013 3.679136 5.760354 2.839966 24 C 3.691128 5.004411 3.518635 6.093227 4.189295 25 C 3.722113 5.634830 3.632706 5.804768 4.217902 26 C 2.516955 4.994400 2.886304 4.479777 3.154770 27 H 2.755159 2.985333 3.865260 5.930866 3.002470 28 H 3.018553 3.432634 4.691821 6.563980 2.927618 29 H 3.833652 5.340857 2.776911 5.606417 4.540916 30 H 4.647958 5.521245 4.473099 7.148301 5.024897 31 H 4.584461 6.674272 3.814825 6.027593 5.174799 32 H 4.077208 5.676900 4.634850 6.580471 4.314930 33 N 3.062855 5.847058 3.102291 3.984227 3.727406 34 H 2.670188 5.582948 3.124704 3.267026 3.346442 21 22 23 24 25 21 H 0.000000 22 N 2.060650 0.000000 23 C 3.423971 1.467843 0.000000 24 C 4.336799 2.315207 1.523805 0.000000 25 C 4.055097 2.313587 2.324142 1.533062 0.000000 26 C 2.615948 1.388006 2.356435 2.380870 1.518392 27 H 3.747508 2.123858 1.074548 2.208266 3.317055 28 H 3.877963 2.102160 1.086489 2.148843 2.647991 29 H 4.402684 2.599163 2.122937 1.082421 2.139287 30 H 5.360635 3.309161 2.215614 1.078424 2.234999 31 H 4.766080 3.225614 3.328487 2.239141 1.074202 32 H 4.444297 2.761340 2.606004 2.141022 1.084407 33 N 2.695333 2.404002 3.584302 3.545684 2.438310 34 H 2.004260 2.526395 3.921957 4.187884 3.288593 26 27 28 29 30 26 C 0.000000 27 H 3.255510 0.000000 28 H 2.839350 1.748800 0.000000 29 H 2.666403 2.471409 3.023017 0.000000 30 H 3.378192 2.695844 2.511847 1.753838 0.000000 31 H 2.166451 4.254001 3.700747 2.529011 2.739470 32 H 2.105994 3.659901 2.462715 3.025582 2.527943 33 N 1.249389 4.430910 4.016627 3.679071 4.518993 34 H 1.859632 4.627633 4.375314 4.248490 5.219012 31 32 33 34 31 H 0.000000 32 H 1.755187 0.000000 33 N 2.653078 2.929976 0.000000 34 H 3.618610 3.744949 1.001873 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.221809 2.475846 -0.309141 2 6 0 0.738765 2.744481 0.837881 3 8 0 0.365917 2.559165 -1.565988 4 8 0 -3.577182 -1.771857 0.484689 5 6 0 -2.770331 -0.929490 0.274121 6 7 0 -2.963144 0.372303 0.654885 7 6 0 -2.139719 1.438393 0.481501 8 8 0 -2.464641 2.511403 0.880115 9 7 0 -0.949898 1.192785 -0.163863 10 6 0 -0.589826 -0.111888 -0.558856 11 6 0 -1.463345 -1.110383 -0.366700 12 1 0 -1.005542 3.200737 -0.289303 13 1 0 0.201822 2.728012 1.773046 14 1 0 1.181171 3.725407 0.723653 15 1 0 -3.823268 0.580896 1.118046 16 6 0 0.756593 -0.484760 -1.170834 17 17 0 -1.143453 -2.743629 -0.832049 18 1 0 1.531922 2.017319 0.863353 19 1 0 0.734884 3.416610 -1.654696 20 1 0 0.569064 -1.405142 -1.697415 21 1 0 1.056280 0.240868 -1.881113 22 7 0 1.804072 -0.679057 -0.195639 23 6 0 1.703719 -1.657678 0.893761 24 6 0 2.745641 -1.127789 1.871308 25 6 0 3.854118 -0.776223 0.872329 26 6 0 3.080723 -0.139238 -0.268559 27 1 0 0.705436 -1.735069 1.283756 28 1 0 2.002649 -2.639403 0.536949 29 1 0 2.363877 -0.209521 2.298716 30 1 0 3.013441 -1.794447 2.675577 31 1 0 4.651896 -0.148157 1.223032 32 1 0 4.277727 -1.697781 0.488631 33 7 0 3.581052 0.694115 -1.053521 34 1 0 2.912852 0.983029 -1.741843 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4488088 0.3081382 0.2196491 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1706.8464621067 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.85D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999342 -0.009664 -0.001177 -0.034946 Ang= -4.16 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.14351832 A.U. after 14 cycles NFock= 14 Conv=0.75D-08 -V/T= 2.0009 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 0.005293455 -0.006904329 0.000903486 2 6 -0.002659498 -0.002542557 -0.004773216 3 8 -0.021861688 -0.007096567 -0.009636011 4 8 -0.004322654 0.004885200 -0.005323524 5 6 0.004997530 -0.008595359 0.006916127 6 7 -0.001475887 0.010093924 -0.004086856 7 6 -0.014243648 0.001250348 -0.011719213 8 8 0.010792559 0.012757324 0.007376652 9 7 0.002509202 -0.007435160 0.003869164 10 6 0.003537724 0.007097765 0.004617340 11 6 -0.001962741 0.002441813 -0.004796749 12 1 0.000832405 0.002022760 0.003965838 13 1 -0.000605095 0.002784740 0.001143005 14 1 0.002493300 -0.000676848 0.000918053 15 1 -0.000199860 -0.000016235 -0.000029217 16 6 -0.005538614 0.002236674 0.003994939 17 17 -0.007148970 0.003241449 -0.005823554 18 1 -0.002838761 -0.002843121 0.001029789 19 1 0.009215058 -0.005335795 0.005307441 20 1 0.003808360 -0.006418149 0.002153403 21 1 0.013021472 -0.006228591 0.001631310 22 7 0.005034432 0.007587922 0.003753866 23 6 -0.000492555 -0.008047616 -0.000419928 24 6 0.010839232 -0.004389172 -0.003132642 25 6 -0.001399996 0.002960571 -0.003733575 26 6 -0.017052907 0.010823278 0.003851212 27 1 0.002962811 0.003844057 0.000763325 28 1 -0.002333587 0.002578476 -0.002673067 29 1 -0.001024464 0.003756076 0.003876525 30 1 -0.004438290 -0.003273450 -0.001863551 31 1 0.002482877 0.000251300 0.003866490 32 1 -0.001951045 -0.003804479 0.002402271 33 7 0.008393270 -0.003657271 -0.004287607 34 1 0.005336572 -0.003348978 -0.000041530 ------------------------------------------------------------------- Cartesian Forces: Max 0.021861688 RMS 0.005946572 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.052473586 RMS 0.008437206 Search for a local minimum. Step number 3 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -2.72D-03 DEPred=-1.90D-02 R= 1.43D-01 Trust test= 1.43D-01 RLast= 6.27D-01 DXMaxT set to 5.05D-01 ITU= 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00236 0.00249 0.00663 0.00715 0.00931 Eigenvalues --- 0.00988 0.01016 0.01130 0.01197 0.01273 Eigenvalues --- 0.01404 0.01539 0.01763 0.01849 0.02058 Eigenvalues --- 0.02169 0.02348 0.02461 0.03116 0.03366 Eigenvalues --- 0.03712 0.04536 0.04828 0.05054 0.05225 Eigenvalues --- 0.05453 0.05681 0.05689 0.05773 0.06144 Eigenvalues --- 0.06397 0.06703 0.07130 0.08128 0.08359 Eigenvalues --- 0.08441 0.09289 0.10037 0.10666 0.13371 Eigenvalues --- 0.15338 0.16000 0.16000 0.16000 0.16002 Eigenvalues --- 0.16300 0.18460 0.19223 0.20824 0.21412 Eigenvalues --- 0.22134 0.22294 0.24436 0.24663 0.24980 Eigenvalues --- 0.24988 0.24993 0.24999 0.25000 0.27057 Eigenvalues --- 0.27778 0.28124 0.28454 0.28676 0.31343 Eigenvalues --- 0.32139 0.32439 0.33771 0.33804 0.33809 Eigenvalues --- 0.33819 0.33842 0.33904 0.33923 0.33948 Eigenvalues --- 0.33963 0.34559 0.34623 0.34763 0.35781 Eigenvalues --- 0.36693 0.37310 0.37870 0.41572 0.42281 Eigenvalues --- 0.46220 0.47273 0.48770 0.49204 0.50645 Eigenvalues --- 0.53462 0.57597 0.68264 0.76679 0.86839 Eigenvalues --- 0.90116 RFO step: Lambda=-1.09604159D-02 EMin= 2.36291072D-03 Quartic linear search produced a step of -0.46220. Iteration 1 RMS(Cart)= 0.14940666 RMS(Int)= 0.00461411 Iteration 2 RMS(Cart)= 0.01179117 RMS(Int)= 0.00022696 Iteration 3 RMS(Cart)= 0.00006218 RMS(Int)= 0.00022528 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00022528 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87246 -0.00072 0.01049 -0.01571 -0.00522 2.86724 R2 2.62667 0.00872 0.01211 -0.00229 0.00982 2.63649 R3 2.80130 -0.00026 -0.01220 0.02510 0.01290 2.81420 R4 2.01776 0.00135 0.01304 -0.01323 -0.00019 2.01757 R5 2.03803 0.00306 0.00876 -0.00578 0.00298 2.04101 R6 2.04491 0.00266 0.00687 -0.00385 0.00302 2.04794 R7 2.03399 0.00411 0.00476 0.00199 0.00674 2.04074 R8 1.77193 0.01170 0.02029 -0.01067 0.00962 1.78155 R9 2.23989 0.00839 0.02521 -0.02866 -0.00345 2.23644 R10 2.58887 0.00514 -0.02250 0.03255 0.00988 2.59875 R11 2.77190 0.00248 -0.00676 0.01261 0.00567 2.77757 R12 2.56658 0.00798 0.00957 -0.00124 0.00832 2.57490 R13 1.88769 -0.00005 -0.00242 0.00298 0.00056 1.88825 R14 2.24855 0.01763 0.01900 -0.01166 0.00733 2.25588 R15 2.59966 0.01728 0.00459 0.02120 0.02598 2.62564 R16 2.66434 -0.01989 0.02453 -0.05322 -0.02850 2.63584 R17 2.53319 0.01237 0.00611 -0.00346 0.00265 2.53583 R18 2.88231 0.00195 0.01208 -0.01329 -0.00121 2.88110 R19 3.26566 0.00715 0.00249 0.00742 0.00990 3.27556 R20 2.03491 -0.00235 0.00199 -0.00069 0.00129 2.03620 R21 2.00065 0.01418 0.01564 -0.00178 0.01387 2.01452 R22 2.72931 -0.00211 0.00707 -0.01393 -0.00686 2.72245 R23 2.77382 -0.00365 -0.00435 -0.00370 -0.00819 2.76563 R24 2.62295 -0.00135 0.01206 -0.01802 -0.00597 2.61698 R25 2.87957 0.00103 0.00518 -0.00265 0.00251 2.88208 R26 2.03060 0.00334 0.00934 -0.00543 0.00391 2.03451 R27 2.05317 0.00166 0.00479 -0.00301 0.00178 2.05495 R28 2.89707 -0.00231 0.00005 -0.00579 -0.00571 2.89136 R29 2.04548 0.00309 0.00462 0.00135 0.00598 2.05146 R30 2.03793 0.00244 0.00967 -0.00879 0.00088 2.03880 R31 2.86934 -0.00196 -0.01121 0.00949 -0.00158 2.86777 R32 2.02995 0.00407 0.00966 -0.00429 0.00536 2.03531 R33 2.04923 0.00279 0.00580 -0.00212 0.00368 2.05291 R34 2.36100 0.01463 0.00750 0.00393 0.01143 2.37243 R35 1.89327 0.00308 -0.00628 0.01154 0.00526 1.89853 A1 1.98726 0.00061 -0.01996 0.00511 -0.01517 1.97209 A2 1.97077 0.00352 -0.01279 -0.00033 -0.01332 1.95745 A3 1.90694 -0.00285 -0.00850 0.01959 0.01080 1.91774 A4 1.92642 -0.01172 -0.00644 -0.02562 -0.03163 1.89479 A5 1.86133 0.00647 0.02213 0.00873 0.03139 1.89272 A6 1.79802 0.00478 0.03064 -0.00693 0.02405 1.82207 A7 1.91453 0.00042 0.00100 -0.00139 -0.00036 1.91416 A8 1.91655 -0.00116 -0.00005 -0.00565 -0.00568 1.91087 A9 1.94350 0.00052 -0.01198 0.02016 0.00822 1.95173 A10 1.88485 0.00013 0.00721 -0.00960 -0.00239 1.88246 A11 1.91351 -0.00008 -0.00135 0.00307 0.00176 1.91528 A12 1.88982 0.00016 0.00558 -0.00756 -0.00194 1.88788 A13 1.88256 0.00379 -0.00074 0.01906 0.01831 1.90088 A14 2.12955 -0.00316 -0.00905 0.00345 -0.00540 2.12415 A15 2.20994 -0.00281 -0.03516 0.04234 0.00740 2.21733 A16 1.94337 0.00597 0.04436 -0.04597 -0.00192 1.94145 A17 2.24602 -0.00218 -0.03564 0.04143 0.00568 2.25170 A18 2.03586 0.00093 0.01394 -0.01673 -0.00274 2.03312 A19 2.00128 0.00125 0.02170 -0.02469 -0.00294 1.99835 A20 2.09384 -0.00222 0.00098 -0.01010 -0.00929 2.08455 A21 2.03098 -0.00543 0.01677 -0.02698 -0.00998 2.02100 A22 2.15836 0.00765 -0.01775 0.03708 0.01915 2.17751 A23 1.89257 0.05020 0.03644 0.04548 0.08172 1.97429 A24 2.27581 -0.05247 -0.03433 -0.04234 -0.07686 2.19895 A25 2.11475 0.00228 -0.00211 -0.00329 -0.00490 2.10985 A26 2.07452 0.00916 -0.00721 0.02884 0.02189 2.09641 A27 2.17010 -0.04991 -0.02581 -0.03801 -0.06390 2.10620 A28 2.03829 0.04078 0.03309 0.00927 0.04228 2.08057 A29 2.15483 -0.00981 -0.01536 0.00408 -0.01141 2.14342 A30 1.98137 -0.00597 0.00905 -0.01122 -0.00211 1.97926 A31 2.14689 0.01578 0.00635 0.00716 0.01357 2.16046 A32 1.82495 0.00827 0.02315 0.01452 0.03752 1.86246 A33 1.92998 -0.00411 -0.00498 -0.01833 -0.02345 1.90653 A34 1.98471 -0.00255 -0.00610 -0.00381 -0.01042 1.97429 A35 1.88288 -0.00157 0.01663 -0.02781 -0.01051 1.87236 A36 1.91931 0.00106 -0.01593 0.04344 0.02719 1.94650 A37 1.91761 -0.00067 -0.01097 -0.00766 -0.01892 1.89869 A38 2.14270 0.00448 0.01404 -0.01303 0.00108 2.14377 A39 2.18864 -0.00464 0.00172 -0.01355 -0.01173 2.17691 A40 1.94032 0.00008 -0.01314 0.02064 0.00758 1.94790 A41 1.76964 -0.00221 -0.01106 0.00916 -0.00163 1.76801 A42 1.96156 0.00031 0.01532 -0.02562 -0.01008 1.95148 A43 1.91758 0.00107 -0.00737 0.01551 0.00806 1.92564 A44 2.01246 0.00058 -0.00897 0.01078 0.00142 2.01388 A45 1.91427 0.00089 -0.00355 0.01270 0.00939 1.92366 A46 1.88570 -0.00058 0.01326 -0.01929 -0.00596 1.87974 A47 1.72755 0.00327 -0.00293 0.02473 0.02233 1.74988 A48 1.88300 -0.00015 0.00201 0.00205 0.00382 1.88682 A49 2.01890 -0.00155 -0.00196 -0.01039 -0.01247 2.00644 A50 1.89417 0.00039 -0.00056 0.00604 0.00500 1.89917 A51 2.03552 -0.00227 -0.00555 -0.00849 -0.01393 2.02159 A52 1.89392 0.00058 0.00832 -0.01035 -0.00193 1.89199 A53 1.79008 -0.00372 -0.02136 0.01684 -0.00423 1.78585 A54 2.04691 0.00019 -0.01116 0.01289 0.00139 2.04830 A55 1.89455 0.00211 -0.00128 0.01136 0.01008 1.90464 A56 1.95876 0.00199 0.01298 -0.01383 -0.00042 1.95835 A57 1.86463 0.00077 0.00870 -0.00674 0.00222 1.86684 A58 1.89894 -0.00126 0.01133 -0.01981 -0.00818 1.89075 A59 1.83989 0.00295 0.00959 0.00061 0.01042 1.85031 A60 2.29261 -0.00398 -0.01676 0.00920 -0.00767 2.28494 A61 2.15067 0.00103 0.00715 -0.00982 -0.00279 2.14788 A62 1.93575 0.01036 0.04317 -0.02186 0.02131 1.95706 D1 3.07589 0.00630 0.02113 0.01295 0.03420 3.11009 D2 1.00707 0.00659 0.01171 0.02892 0.04073 1.04780 D3 -1.08592 0.00682 0.01238 0.02918 0.04166 -1.04426 D4 -0.99256 -0.00643 -0.01323 -0.01859 -0.03196 -1.02452 D5 -3.06138 -0.00614 -0.02265 -0.00262 -0.02543 -3.08681 D6 1.12881 -0.00590 -0.02199 -0.00237 -0.02450 1.10431 D7 0.99717 -0.00032 0.01168 -0.01516 -0.00343 0.99374 D8 -1.07165 -0.00003 0.00226 0.00081 0.00310 -1.06855 D9 3.11855 0.00020 0.00292 0.00107 0.00402 3.12258 D10 -1.00998 -0.00186 -0.00262 -0.02467 -0.02731 -1.03728 D11 3.03558 0.00285 0.03425 -0.00650 0.02739 3.06296 D12 1.09450 -0.00059 -0.01071 0.00899 -0.00134 1.09316 D13 1.61414 0.00096 -0.01944 0.00676 -0.01276 1.60139 D14 -1.51547 0.00065 -0.03106 0.02216 -0.00909 -1.52456 D15 -2.42244 -0.00518 -0.06018 -0.00809 -0.06784 -2.49027 D16 0.73114 -0.00549 -0.07181 0.00732 -0.06417 0.66697 D17 -0.44064 -0.00021 -0.02107 -0.01222 -0.03347 -0.47411 D18 2.71294 -0.00052 -0.03269 0.00318 -0.02981 2.68313 D19 -3.13838 0.00019 0.00036 0.00700 0.00701 -3.13137 D20 -0.00452 0.00044 0.00156 0.00681 0.00820 0.00367 D21 0.02902 -0.00001 -0.01025 0.01384 0.00369 0.03271 D22 -3.12031 0.00024 -0.00906 0.01365 0.00487 -3.11544 D23 -3.12639 -0.00058 -0.00307 -0.00051 -0.00383 -3.13021 D24 0.00018 -0.00021 0.00064 0.00032 0.00073 0.00092 D25 -0.01206 -0.00036 0.00820 -0.00854 -0.00053 -0.01258 D26 3.11452 0.00001 0.01191 -0.00770 0.00403 3.11855 D27 -3.13930 0.00098 -0.00306 0.01865 0.01578 -3.12352 D28 0.00230 0.00006 -0.00355 0.00330 0.00003 0.00233 D29 0.00991 0.00073 -0.00422 0.01882 0.01461 0.02452 D30 -3.13169 -0.00019 -0.00471 0.00347 -0.00113 -3.13282 D31 3.09959 0.00011 0.00991 -0.01379 -0.00323 3.09636 D32 -0.05267 -0.00011 0.02057 -0.02786 -0.00732 -0.05998 D33 -0.04200 -0.00085 0.00942 -0.02977 -0.01992 -0.06192 D34 3.08892 -0.00107 0.02008 -0.04384 -0.02401 3.06492 D35 -3.08697 0.00083 -0.00961 0.01689 0.00787 -3.07910 D36 0.08051 -0.00132 -0.02943 0.01182 -0.01740 0.06311 D37 0.06791 0.00028 -0.02228 0.03374 0.01135 0.07927 D38 -3.04779 -0.00187 -0.04210 0.02867 -0.01392 -3.06171 D39 -0.03342 0.00003 0.00702 -0.01372 -0.00707 -0.04048 D40 3.12460 -0.00017 0.00296 -0.01447 -0.01194 3.11266 D41 3.08423 0.00071 0.02592 -0.00976 0.01627 3.10050 D42 -0.04094 0.00051 0.02186 -0.01052 0.01140 -0.02954 D43 -2.75968 0.00224 0.01172 0.00989 0.02178 -2.73790 D44 -0.73730 0.00297 0.04202 -0.02331 0.01825 -0.71905 D45 1.42969 -0.00308 0.01960 -0.05073 -0.03128 1.39842 D46 0.40731 0.00053 -0.00810 0.00463 -0.00301 0.40430 D47 2.42969 0.00125 0.02220 -0.02857 -0.00654 2.42315 D48 -1.68650 -0.00479 -0.00022 -0.05599 -0.05606 -1.74257 D49 1.00483 0.00736 0.01451 0.05964 0.07434 1.07917 D50 -2.31395 0.00684 0.03711 0.01630 0.05323 -2.26072 D51 -1.03475 -0.00218 -0.00005 0.01435 0.01432 -1.02042 D52 1.92967 -0.00270 0.02255 -0.02900 -0.00679 1.92288 D53 -3.10470 -0.00049 -0.00441 0.02664 0.02256 -3.08213 D54 -0.14028 -0.00101 0.01819 -0.01671 0.00145 -0.13883 D55 -2.79529 -0.00219 0.03394 -0.07904 -0.04511 -2.84040 D56 -0.63661 -0.00272 0.02387 -0.07359 -0.04957 -0.68619 D57 1.46362 -0.00252 0.04600 -0.10425 -0.05825 1.40537 D58 0.50099 -0.00122 0.01356 -0.03854 -0.02477 0.47622 D59 2.65966 -0.00175 0.00349 -0.03310 -0.02923 2.63044 D60 -1.52329 -0.00155 0.02562 -0.06375 -0.03791 -1.56119 D61 -3.01172 0.00016 -0.01301 0.03227 0.01906 -2.99266 D62 0.13503 0.00078 -0.01083 0.03582 0.02474 0.15977 D63 -0.02974 0.00015 0.00895 -0.00934 -0.00032 -0.03006 D64 3.11701 0.00078 0.01112 -0.00579 0.00535 3.12237 D65 -0.73733 -0.00032 -0.03652 0.06840 0.03218 -0.70515 D66 1.23308 0.00142 -0.03774 0.08596 0.04846 1.28155 D67 -2.92616 0.00101 -0.02669 0.06706 0.04049 -2.88567 D68 -2.86093 0.00050 -0.04321 0.08789 0.04488 -2.81605 D69 -0.89051 0.00224 -0.04443 0.10545 0.06116 -0.82935 D70 1.23344 0.00183 -0.03337 0.08655 0.05319 1.28662 D71 1.28937 0.00015 -0.05145 0.09563 0.04434 1.33371 D72 -3.02340 0.00189 -0.05267 0.11320 0.06062 -2.96278 D73 -0.89945 0.00148 -0.04161 0.09429 0.05265 -0.84680 D74 0.73006 -0.00059 0.03641 -0.07115 -0.03444 0.69562 D75 2.88444 -0.00078 0.03085 -0.06812 -0.03736 2.84708 D76 -1.23896 -0.00056 0.03671 -0.07564 -0.03884 -1.27780 D77 -1.23155 -0.00194 0.03562 -0.08584 -0.05007 -1.28162 D78 0.92283 -0.00213 0.03006 -0.08281 -0.05299 0.86984 D79 3.08262 -0.00191 0.03592 -0.09034 -0.05447 3.02815 D80 2.90726 -0.00139 0.02903 -0.07084 -0.04154 2.86572 D81 -1.22155 -0.00158 0.02347 -0.06781 -0.04446 -1.26601 D82 0.93824 -0.00136 0.02933 -0.07533 -0.04594 0.89230 D83 -0.45234 0.00044 -0.02778 0.05174 0.02367 -0.42867 D84 2.68462 -0.00014 -0.02991 0.04863 0.01853 2.70315 D85 -2.66458 0.00157 -0.00712 0.03259 0.02505 -2.63953 D86 0.47238 0.00099 -0.00924 0.02948 0.01992 0.49229 D87 1.53869 0.00148 -0.03528 0.06908 0.03389 1.57257 D88 -1.60754 0.00090 -0.03740 0.06596 0.02875 -1.57879 D89 -0.02042 0.00009 0.00755 -0.01083 -0.00323 -0.02365 D90 3.12712 0.00081 0.01008 -0.00678 0.00325 3.13037 Item Value Threshold Converged? Maximum Force 0.052474 0.000450 NO RMS Force 0.008437 0.000300 NO Maximum Displacement 0.685650 0.001800 NO RMS Displacement 0.158046 0.001200 NO Predicted change in Energy=-1.233846D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.553755 -5.100882 2.692679 2 6 0 6.115022 -5.135087 4.144740 3 8 0 6.793783 -6.370270 2.165854 4 8 0 3.264219 -2.129360 -0.562278 5 6 0 3.906350 -2.839453 0.133452 6 7 0 4.981164 -2.369108 0.850893 7 6 0 5.822135 -3.048297 1.680401 8 8 0 6.698729 -2.459678 2.237338 9 7 0 5.564240 -4.406085 1.823275 10 6 0 4.461734 -4.994538 1.203806 11 6 0 3.683867 -4.270505 0.384412 12 1 0 7.445060 -4.521080 2.596309 13 1 0 5.975222 -4.126956 4.506192 14 1 0 6.888626 -5.599149 4.745269 15 1 0 5.188930 -1.396330 0.756181 16 6 0 4.123974 -6.461272 1.446814 17 17 0 2.317417 -4.914305 -0.465794 18 1 0 5.203446 -5.699111 4.275554 19 1 0 7.470450 -6.788237 2.672027 20 1 0 3.540930 -6.789035 0.602029 21 1 0 5.023836 -7.032814 1.451364 22 7 0 3.427149 -6.683125 2.688066 23 6 0 2.115208 -6.102098 2.976287 24 6 0 2.047864 -6.253535 4.492389 25 6 0 2.661612 -7.645644 4.654764 26 6 0 3.788391 -7.623352 3.638473 27 1 0 2.035148 -5.093174 2.609181 28 1 0 1.330335 -6.688755 2.504786 29 1 0 2.717155 -5.522088 4.934575 30 1 0 1.066492 -6.119680 4.920164 31 1 0 3.004864 -7.923751 5.637032 32 1 0 1.946552 -8.391314 4.318867 33 7 0 4.811454 -8.344677 3.734157 34 1 0 5.445888 -8.205255 2.967740 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517280 0.000000 3 O 1.395171 2.429482 0.000000 4 O 5.499612 6.270367 6.155148 0.000000 5 C 4.321164 5.122364 4.993455 1.183471 0.000000 6 N 3.650727 4.448113 4.585195 2.236611 1.375198 7 C 2.402723 3.242444 3.495035 3.523775 2.471214 8 O 2.684085 3.337171 3.912400 4.443289 3.516809 9 N 1.489210 2.494796 2.342469 4.020502 2.838739 10 C 2.569942 3.376716 2.873435 3.572442 2.469515 11 C 3.775431 4.560492 4.153809 2.378409 1.469827 12 H 1.067653 2.131583 2.007226 5.759899 4.627743 13 H 2.138238 1.080056 3.343603 6.085172 5.005872 14 H 2.138582 1.083721 2.693883 7.303822 6.146442 15 H 4.397326 5.130135 5.413207 2.445441 2.028647 16 C 3.050684 3.605807 2.766437 4.851916 3.858737 17 Cl 5.287468 5.977255 5.392889 2.943070 2.681196 18 H 2.164880 1.079910 2.725887 6.317305 5.197799 19 H 1.920397 2.595953 0.942755 7.061037 5.894071 20 H 4.037052 4.681057 3.633451 4.810899 3.994033 21 H 2.759325 3.470782 2.020438 5.585237 4.535411 22 N 3.504166 3.426804 3.421229 5.597147 4.639989 23 C 4.558899 4.277722 4.755815 5.442823 4.683456 24 C 4.987044 4.232441 5.286788 6.636113 5.840399 25 C 5.047214 4.299891 4.989598 7.616434 6.714992 26 C 3.860650 3.443978 3.573681 6.935778 5.931676 27 H 4.519385 4.359481 4.946930 4.511426 3.835348 28 H 5.462669 5.291178 5.483207 5.825365 5.203481 29 H 4.463520 3.509859 5.000412 6.482691 5.626855 30 H 6.009134 5.201765 6.360100 7.128101 6.460441 31 H 5.406703 4.435839 5.368267 8.489623 7.546666 32 H 5.890479 5.292398 5.675890 8.048223 7.223688 33 N 3.826551 3.488457 3.207411 7.712552 6.640164 34 H 3.307591 3.355444 2.413920 7.357799 6.260608 6 7 8 9 10 6 N 0.000000 7 C 1.362576 0.000000 8 O 2.209177 1.193762 0.000000 9 N 2.331262 1.389428 2.290636 0.000000 10 C 2.699489 2.421918 3.535229 1.394825 0.000000 11 C 2.348594 2.783086 3.975150 2.371605 1.341905 12 H 3.707863 2.375261 2.221542 2.036735 3.326178 13 H 4.176050 3.028537 2.907057 2.728528 3.734849 14 H 5.407194 4.127671 4.022693 3.422784 4.335588 15 H 0.999217 1.996028 2.367283 3.215303 3.698146 16 C 4.223234 3.819255 4.823592 2.537692 1.524612 17 Cl 3.912446 4.513444 5.703332 4.004994 2.718841 18 H 4.781907 3.760905 4.109029 2.795668 3.237622 19 H 5.389043 4.205641 4.418250 3.166807 3.798079 20 H 4.655316 4.512195 5.602612 3.356140 2.104813 21 H 4.702398 4.070149 4.933213 2.707408 2.128806 22 N 4.939728 4.468033 5.361333 3.240360 2.474817 23 C 5.163934 4.974568 5.901011 4.012694 3.142382 24 C 6.078940 5.694378 6.411641 4.785617 4.269264 25 C 6.905910 6.322289 7.002607 5.190118 4.709343 26 C 6.066333 5.375992 6.090712 4.098706 3.645773 27 H 4.380768 4.402888 5.368664 3.680248 2.805909 28 H 5.892645 5.840275 6.839318 4.858085 3.790591 29 H 5.634135 5.133243 5.701436 4.362515 4.152168 30 H 6.778673 6.522698 7.232928 5.723361 5.157996 31 H 7.593876 6.882006 7.420152 5.785251 5.509651 32 H 7.583052 7.108409 7.880371 5.932764 5.250508 33 N 6.636975 5.769838 6.358890 4.441921 4.212886 34 H 6.225563 5.328510 5.925770 3.969572 3.793248 11 12 13 14 15 11 C 0.000000 12 H 4.370567 0.000000 13 H 4.718049 2.442010 0.000000 14 H 5.572509 2.467768 1.748947 0.000000 15 H 3.265626 4.270862 4.705014 6.038665 0.000000 16 C 2.474238 4.014385 4.270356 4.389346 5.221565 17 Cl 1.733353 5.985300 6.222548 6.965640 4.702654 18 H 4.414864 3.038495 1.766495 1.752272 5.558788 19 H 5.090223 2.268563 3.561220 2.459833 6.160232 20 H 2.531952 4.935889 5.315537 5.457961 5.641005 21 H 3.250270 3.671788 4.322167 4.047548 5.681592 22 N 3.345662 4.563603 4.041320 4.170002 5.897987 23 C 3.540232 5.572371 4.597989 5.115445 6.043252 24 C 4.846069 5.977143 4.466169 4.891334 6.886072 25 C 5.538274 6.073015 4.835623 4.697232 7.787183 26 C 4.673481 4.907283 4.214256 3.864435 7.003208 27 H 2.888712 5.440093 4.478439 5.326832 5.200636 28 H 3.985352 6.488224 5.669517 6.091109 6.779096 29 H 4.817154 5.368668 3.570001 4.176476 6.371070 30 H 5.553660 6.974378 5.313939 5.847973 7.526173 31 H 6.434071 6.367065 4.951513 4.613310 8.438015 32 H 5.956447 6.941146 5.869415 5.692285 8.493265 33 N 5.393618 4.780216 4.442923 3.588163 7.569039 34 H 5.025989 4.208063 4.390849 3.468846 7.163692 16 17 18 19 20 16 C 0.000000 17 Cl 3.052020 0.000000 18 H 3.122166 5.605842 0.000000 19 H 3.578680 6.317538 2.982751 0.000000 20 H 1.077512 2.480291 4.176922 4.441399 0.000000 21 H 1.066036 3.935515 3.128430 2.745133 1.726213 22 N 1.440656 3.782467 2.577525 4.044700 2.091820 23 C 2.550184 3.646870 3.374568 5.407586 2.853361 24 C 3.691736 5.142934 3.211246 5.744916 4.201298 25 C 3.719165 5.813673 3.223928 5.271747 4.234577 26 C 2.503281 5.133002 2.472035 3.897306 3.158689 27 H 2.754266 3.093079 3.630712 5.693830 3.028528 28 H 2.995909 3.598243 4.372185 6.143198 2.918436 29 H 3.876298 5.449144 2.578234 5.414432 4.588542 30 H 4.639940 5.659177 4.207943 6.819954 5.021670 31 H 4.577028 6.839140 3.411218 5.479244 5.189047 32 H 4.088388 5.926222 4.225777 5.982925 4.350198 33 N 3.041674 5.968857 2.728697 3.258970 3.720817 34 H 2.664986 5.692701 2.837237 2.488823 3.351288 21 22 23 24 25 21 H 0.000000 22 N 2.049665 0.000000 23 C 3.413465 1.463507 0.000000 24 C 4.325682 2.311397 1.525134 0.000000 25 C 4.027088 2.319567 2.344862 1.530040 0.000000 26 C 2.580408 1.384846 2.356321 2.373817 1.517556 27 H 3.746332 2.114670 1.076616 2.212028 3.330461 28 H 3.856167 2.104816 1.087431 2.157506 2.703764 29 H 4.442503 2.626576 2.129235 1.085584 2.142632 30 H 5.341064 3.297337 2.208794 1.078888 2.223379 31 H 4.731790 3.227055 3.345067 2.239571 1.077041 32 H 4.420155 2.787398 2.659224 2.147202 1.086353 33 N 2.641445 2.402366 3.587934 3.547565 2.440898 34 H 1.962688 2.543700 3.939134 4.204799 3.303242 26 27 28 29 30 26 C 0.000000 27 H 3.245783 0.000000 28 H 2.863696 1.747438 0.000000 29 H 2.691234 2.461007 3.031214 0.000000 30 H 3.363406 2.707886 2.495498 1.755565 0.000000 31 H 2.167578 4.256806 3.760350 2.518772 2.743330 32 H 2.108334 3.715992 2.563068 3.034038 2.509260 33 N 1.255437 4.421053 4.046185 3.714041 4.514639 34 H 1.880369 4.631065 4.410428 4.302768 5.228833 31 32 33 34 31 H 0.000000 32 H 1.753910 0.000000 33 N 2.657420 2.924333 0.000000 34 H 3.628080 3.755731 1.004659 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 0.163830 2.347433 -0.375529 2 6 0 1.161652 2.458629 0.762068 3 8 0 0.771901 2.165381 -1.617949 4 8 0 -3.821776 -1.338342 0.505233 5 6 0 -2.906052 -0.619166 0.293479 6 7 0 -2.924690 0.704036 0.667591 7 6 0 -1.968896 1.658926 0.490795 8 8 0 -2.158601 2.762548 0.904435 9 7 0 -0.813226 1.244468 -0.159713 10 6 0 -0.639041 -0.088988 -0.529973 11 6 0 -1.629459 -0.974748 -0.342338 12 1 0 -0.436585 3.229177 -0.419261 13 1 0 0.636989 2.629503 1.690535 14 1 0 1.814691 3.305915 0.588581 15 1 0 -3.750279 1.024832 1.130114 16 6 0 0.672194 -0.559296 -1.149581 17 17 0 -1.531360 -2.642541 -0.804240 18 1 0 1.774134 1.573259 0.846879 19 1 0 1.340154 2.897626 -1.790263 20 1 0 0.447753 -1.452436 -1.709008 21 1 0 1.014304 0.172455 -1.845235 22 7 0 1.707012 -0.792222 -0.174703 23 6 0 1.588549 -1.796000 0.883715 24 6 0 2.676526 -1.340551 1.850621 25 6 0 3.776630 -0.953308 0.860250 26 6 0 2.990940 -0.278601 -0.249001 27 1 0 0.593072 -1.830974 1.292254 28 1 0 1.821227 -2.784468 0.494745 29 1 0 2.327110 -0.444333 2.353806 30 1 0 2.952650 -2.066118 2.599826 31 1 0 4.577163 -0.333246 1.227246 32 1 0 4.209509 -1.855902 0.438228 33 7 0 3.492126 0.573689 -1.022653 34 1 0 2.829248 0.905432 -1.700797 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4731245 0.3045083 0.2228878 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1716.9018333632 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.48D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.998602 0.008712 -0.003654 0.052002 Ang= 6.06 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.15309873 A.U. after 13 cycles NFock= 13 Conv=0.78D-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 -0.007494191 0.000032947 -0.001560785 2 6 -0.001006533 -0.000397684 0.000902779 3 8 -0.000659081 0.003141776 -0.005117956 4 8 -0.006234824 0.006083745 -0.007146616 5 6 0.008811608 -0.011780572 0.010722714 6 7 -0.000882262 0.004988922 -0.003471500 7 6 -0.008539823 -0.001321884 -0.003725290 8 8 0.008161076 -0.005584768 0.006308190 9 7 0.008093341 0.002368712 0.004350563 10 6 -0.002189599 -0.000786913 -0.001703538 11 6 -0.002923523 0.003962090 -0.004703189 12 1 0.003724346 0.005481811 0.000691511 13 1 -0.000009637 0.002323619 0.000490335 14 1 0.001237503 -0.000708073 0.000998836 15 1 -0.000040194 -0.000399964 0.000205409 16 6 -0.001777744 -0.003155752 -0.000530736 17 17 -0.002355128 -0.000296419 -0.000931531 18 1 0.003303874 0.002642972 -0.000513315 19 1 0.005325357 -0.002178286 0.003674037 20 1 -0.002125049 -0.001542329 0.001777971 21 1 0.000912053 -0.001378259 -0.001630357 22 7 0.001539397 0.004739747 0.002432667 23 6 0.000034390 -0.007946869 -0.000711378 24 6 0.007413586 0.001032437 0.000008926 25 6 -0.001139292 0.000740411 -0.005729974 26 6 -0.008577587 -0.000232741 0.001469912 27 1 0.001969210 0.003521027 0.001721507 28 1 -0.001648445 0.001357941 -0.001933039 29 1 -0.002639523 0.001864978 0.002470644 30 1 -0.003434173 -0.002575029 -0.001178404 31 1 0.001790628 0.001973256 0.002034288 32 1 -0.000754162 -0.002174247 0.002064510 33 7 0.003057563 -0.001908664 -0.004104135 34 1 -0.000943160 -0.001887936 0.002366945 ------------------------------------------------------------------- Cartesian Forces: Max 0.011780572 RMS 0.003838546 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.023346670 RMS 0.004104276 Search for a local minimum. Step number 4 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -9.58D-03 DEPred=-1.23D-02 R= 7.76D-01 TightC=F SS= 1.41D+00 RLast= 3.53D-01 DXNew= 8.4853D-01 1.0575D+00 Trust test= 7.76D-01 RLast= 3.53D-01 DXMaxT set to 8.49D-01 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00238 0.00249 0.00646 0.00718 0.00961 Eigenvalues --- 0.01000 0.01016 0.01160 0.01195 0.01265 Eigenvalues --- 0.01404 0.01534 0.01770 0.01844 0.02062 Eigenvalues --- 0.02173 0.02349 0.02464 0.03137 0.03366 Eigenvalues --- 0.03699 0.04772 0.04857 0.05122 0.05401 Eigenvalues --- 0.05585 0.05618 0.05719 0.05756 0.06313 Eigenvalues --- 0.06382 0.06581 0.07193 0.08117 0.08318 Eigenvalues --- 0.08419 0.09224 0.09963 0.10711 0.13251 Eigenvalues --- 0.15390 0.15992 0.16000 0.16000 0.16001 Eigenvalues --- 0.16167 0.18217 0.19318 0.20460 0.21355 Eigenvalues --- 0.22224 0.22402 0.24319 0.24665 0.24870 Eigenvalues --- 0.24984 0.24993 0.24996 0.24998 0.27196 Eigenvalues --- 0.27698 0.28152 0.28486 0.29397 0.31346 Eigenvalues --- 0.32135 0.32291 0.33773 0.33809 0.33817 Eigenvalues --- 0.33831 0.33847 0.33906 0.33924 0.33949 Eigenvalues --- 0.34011 0.34559 0.34623 0.34849 0.35916 Eigenvalues --- 0.36682 0.37351 0.38045 0.41614 0.42266 Eigenvalues --- 0.46345 0.47710 0.48768 0.49168 0.50491 Eigenvalues --- 0.55549 0.57964 0.75852 0.83008 0.87051 Eigenvalues --- 0.90464 RFO step: Lambda=-1.08600445D-02 EMin= 2.37599902D-03 Quartic linear search produced a step of -0.18859. Iteration 1 RMS(Cart)= 0.16844297 RMS(Int)= 0.00533536 Iteration 2 RMS(Cart)= 0.00820304 RMS(Int)= 0.00024832 Iteration 3 RMS(Cart)= 0.00003354 RMS(Int)= 0.00024684 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00024684 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86724 0.00069 0.00098 0.00363 0.00461 2.87185 R2 2.63649 0.00047 -0.00185 0.01250 0.01064 2.64714 R3 2.81420 -0.00214 -0.00243 -0.00353 -0.00596 2.80824 R4 2.01757 0.00602 0.00004 0.01915 0.01918 2.03676 R5 2.04101 0.00233 -0.00056 0.01107 0.01051 2.05152 R6 2.04794 0.00174 -0.00057 0.00888 0.00831 2.05624 R7 2.04074 -0.00423 -0.00127 -0.00281 -0.00408 2.03665 R8 1.78155 0.00676 -0.00181 0.02569 0.02388 1.80543 R9 2.23644 0.01123 0.00065 0.02031 0.02096 2.25739 R10 2.59875 -0.00109 -0.00186 -0.00680 -0.00868 2.59007 R11 2.77757 -0.00198 -0.00107 -0.00350 -0.00457 2.77300 R12 2.57490 0.00066 -0.00157 0.01007 0.00849 2.58338 R13 1.88825 -0.00042 -0.00011 -0.00148 -0.00159 1.88666 R14 2.25588 0.00618 -0.00138 0.01906 0.01768 2.27356 R15 2.62564 -0.00605 -0.00490 0.00717 0.00226 2.62790 R16 2.63584 0.01533 0.00538 0.02602 0.03141 2.66725 R17 2.53583 0.00601 -0.00050 0.01352 0.01304 2.54887 R18 2.88110 0.00877 0.00023 0.02825 0.02848 2.90958 R19 3.27556 0.00242 -0.00187 0.01295 0.01108 3.28664 R20 2.03620 0.00023 -0.00024 0.00168 0.00144 2.03764 R21 2.01452 0.00150 -0.00261 0.01950 0.01688 2.03140 R22 2.72245 0.00263 0.00129 0.00459 0.00589 2.72833 R23 2.76563 -0.00093 0.00155 -0.00917 -0.00732 2.75831 R24 2.61698 0.00133 0.00113 0.00290 0.00435 2.62133 R25 2.88208 0.00009 -0.00047 0.00585 0.00534 2.88742 R26 2.03451 0.00257 -0.00074 0.01234 0.01160 2.04611 R27 2.05495 0.00130 -0.00034 0.00616 0.00583 2.06078 R28 2.89136 -0.00186 0.00108 -0.00587 -0.00524 2.88612 R29 2.05146 0.00064 -0.00113 0.00702 0.00589 2.05735 R30 2.03880 0.00234 -0.00017 0.01031 0.01014 2.04895 R31 2.86777 -0.00138 0.00030 -0.00988 -0.00970 2.85807 R32 2.03531 0.00192 -0.00101 0.01194 0.01093 2.04624 R33 2.05291 0.00135 -0.00069 0.00790 0.00721 2.06011 R34 2.37243 0.00377 -0.00216 0.01414 0.01199 2.38442 R35 1.89853 -0.00266 -0.00099 -0.00395 -0.00495 1.89358 A1 1.97209 0.00265 0.00286 0.00638 0.00943 1.98152 A2 1.95745 0.00113 0.00251 -0.00172 0.00087 1.95832 A3 1.91774 -0.00261 -0.00204 -0.02287 -0.02497 1.89277 A4 1.89479 0.00113 0.00596 -0.00571 0.00035 1.89514 A5 1.89272 -0.00078 -0.00592 0.02328 0.01737 1.91009 A6 1.82207 -0.00195 -0.00454 0.00126 -0.00346 1.81861 A7 1.91416 -0.00068 0.00007 -0.00329 -0.00322 1.91095 A8 1.91087 0.00017 0.00107 -0.00276 -0.00169 1.90918 A9 1.95173 0.00024 -0.00155 0.00147 -0.00008 1.95165 A10 1.88246 0.00011 0.00045 0.00049 0.00094 1.88340 A11 1.91528 0.00010 -0.00033 0.00110 0.00077 1.91605 A12 1.88788 0.00008 0.00037 0.00302 0.00338 1.89126 A13 1.90088 -0.00128 -0.00345 0.00475 0.00130 1.90217 A14 2.12415 -0.00136 0.00102 -0.01113 -0.01017 2.11398 A15 2.21733 -0.00296 -0.00139 -0.02062 -0.02207 2.19526 A16 1.94145 0.00432 0.00036 0.03202 0.03243 1.97388 A17 2.25170 -0.00393 -0.00107 -0.02763 -0.02866 2.22304 A18 2.03312 0.00209 0.00052 0.01283 0.01332 2.04644 A19 1.99835 0.00183 0.00055 0.01479 0.01532 2.01366 A20 2.08455 0.00866 0.00175 0.02129 0.02293 2.10748 A21 2.02100 0.00502 0.00188 0.01449 0.01633 2.03733 A22 2.17751 -0.01366 -0.00361 -0.03546 -0.03918 2.13834 A23 1.97429 -0.02325 -0.01541 0.00122 -0.01442 1.95986 A24 2.19895 0.02335 0.01450 0.00181 0.01606 2.21501 A25 2.10985 -0.00008 0.00092 -0.00253 -0.00174 2.10811 A26 2.09641 -0.00657 -0.00413 -0.00757 -0.01186 2.08455 A27 2.10620 0.01863 0.01205 -0.00196 0.00973 2.11593 A28 2.08057 -0.01206 -0.00797 0.00955 0.00123 2.08180 A29 2.14342 0.00120 0.00215 -0.01016 -0.00792 2.13550 A30 1.97926 -0.00145 0.00040 -0.00347 -0.00312 1.97614 A31 2.16046 0.00024 -0.00256 0.01358 0.01097 2.17142 A32 1.86246 -0.00278 -0.00708 0.01243 0.00565 1.86811 A33 1.90653 -0.00018 0.00442 0.00331 0.00740 1.91392 A34 1.97429 0.00840 0.00197 0.02278 0.02469 1.99897 A35 1.87236 0.00062 0.00198 -0.00869 -0.00687 1.86550 A36 1.94650 -0.00691 -0.00513 -0.03788 -0.04290 1.90360 A37 1.89869 0.00054 0.00357 0.00690 0.01010 1.90879 A38 2.14377 -0.00237 -0.00020 -0.00842 -0.00990 2.13387 A39 2.17691 0.00385 0.00221 -0.00421 -0.00341 2.17350 A40 1.94790 -0.00185 -0.00143 -0.00273 -0.00524 1.94266 A41 1.76801 0.00121 0.00031 0.01391 0.01405 1.78206 A42 1.95148 -0.00020 0.00190 -0.01213 -0.01007 1.94141 A43 1.92564 -0.00022 -0.00152 0.00979 0.00804 1.93368 A44 2.01388 -0.00181 -0.00027 -0.02054 -0.02080 1.99308 A45 1.92366 0.00062 -0.00177 0.01012 0.00828 1.93194 A46 1.87974 0.00043 0.00112 0.00050 0.00166 1.88140 A47 1.74988 -0.00069 -0.00421 0.02627 0.02086 1.77073 A48 1.88682 0.00074 -0.00072 0.01578 0.01481 1.90163 A49 2.00644 -0.00011 0.00235 -0.02426 -0.02160 1.98484 A50 1.89917 0.00126 -0.00094 0.02110 0.01989 1.91906 A51 2.02159 -0.00068 0.00263 -0.03145 -0.02839 1.99320 A52 1.89199 -0.00035 0.00036 -0.00164 -0.00116 1.89083 A53 1.78585 0.00079 0.00080 0.00954 0.00934 1.79519 A54 2.04830 -0.00107 -0.00026 -0.01432 -0.01422 2.03408 A55 1.90464 0.00031 -0.00190 0.00620 0.00435 1.90898 A56 1.95835 0.00033 0.00008 0.00073 0.00120 1.95955 A57 1.86684 -0.00033 -0.00042 0.00583 0.00562 1.87247 A58 1.89075 0.00005 0.00154 -0.00547 -0.00409 1.88667 A59 1.85031 0.00058 -0.00197 0.02124 0.01906 1.86937 A60 2.28494 0.00038 0.00145 -0.01565 -0.01412 2.27082 A61 2.14788 -0.00095 0.00053 -0.00549 -0.00488 2.14300 A62 1.95706 0.00307 -0.00402 0.04628 0.04226 1.99932 D1 3.11009 -0.00195 -0.00645 0.00488 -0.00159 3.10851 D2 1.04780 -0.00179 -0.00768 0.00787 0.00017 1.04797 D3 -1.04426 -0.00214 -0.00786 0.00499 -0.00289 -1.04715 D4 -1.02452 0.00245 0.00603 0.00084 0.00683 -1.01769 D5 -3.08681 0.00262 0.00480 0.00383 0.00858 -3.07823 D6 1.10431 0.00226 0.00462 0.00095 0.00552 1.10983 D7 0.99374 -0.00090 0.00065 -0.01293 -0.01221 0.98153 D8 -1.06855 -0.00073 -0.00058 -0.00994 -0.01046 -1.07901 D9 3.12258 -0.00109 -0.00076 -0.01283 -0.01352 3.10905 D10 -1.03728 0.00176 0.00515 -0.00663 -0.00156 -1.03885 D11 3.06296 -0.00245 -0.00517 -0.00461 -0.00971 3.05325 D12 1.09316 -0.00035 0.00025 -0.01497 -0.01470 1.07846 D13 1.60139 -0.00228 0.00241 -0.03458 -0.03211 1.56928 D14 -1.52456 -0.00319 0.00171 -0.07139 -0.06966 -1.59422 D15 -2.49027 0.00278 0.01279 -0.03179 -0.01904 -2.50932 D16 0.66697 0.00187 0.01210 -0.06861 -0.05659 0.61037 D17 -0.47411 0.00144 0.00631 -0.00706 -0.00070 -0.47482 D18 2.68313 0.00053 0.00562 -0.04387 -0.03825 2.64487 D19 -3.13137 0.00023 -0.00132 0.01225 0.01101 -3.12036 D20 0.00367 0.00006 -0.00155 0.00862 0.00708 0.01075 D21 0.03271 0.00004 -0.00070 0.00004 -0.00069 0.03202 D22 -3.11544 -0.00013 -0.00092 -0.00359 -0.00462 -3.12006 D23 -3.13021 -0.00011 0.00072 -0.00843 -0.00766 -3.13788 D24 0.00092 -0.00052 -0.00014 -0.01351 -0.01361 -0.01269 D25 -0.01258 0.00013 0.00010 0.00480 0.00492 -0.00766 D26 3.11855 -0.00028 -0.00076 -0.00029 -0.00103 3.11752 D27 -3.12352 -0.00092 -0.00298 -0.01357 -0.01693 -3.14045 D28 0.00233 0.00035 -0.00001 0.00745 0.00758 0.00991 D29 0.02452 -0.00075 -0.00276 -0.00999 -0.01306 0.01146 D30 -3.13282 0.00052 0.00021 0.01103 0.01145 -3.12137 D31 3.09636 -0.00176 0.00061 -0.05374 -0.05287 3.04349 D32 -0.05998 -0.00065 0.00138 -0.01899 -0.01773 -0.07772 D33 -0.06192 -0.00017 0.00376 -0.03085 -0.02725 -0.08917 D34 3.06492 0.00093 0.00453 0.00390 0.00789 3.07281 D35 -3.07910 0.00127 -0.00148 0.06363 0.06215 -3.01695 D36 0.06311 0.00073 0.00328 0.01233 0.01564 0.07875 D37 0.07927 0.00046 -0.00214 0.02415 0.02179 0.10105 D38 -3.06171 -0.00008 0.00263 -0.02716 -0.02472 -3.08643 D39 -0.04048 -0.00027 0.00133 -0.01713 -0.01557 -0.05606 D40 3.11266 0.00019 0.00225 -0.01140 -0.00884 3.10381 D41 3.10050 0.00027 -0.00307 0.03341 0.03002 3.13052 D42 -0.02954 0.00073 -0.00215 0.03915 0.03675 0.00721 D43 -2.73790 -0.00011 -0.00411 0.07956 0.07557 -2.66233 D44 -0.71905 -0.00094 -0.00344 0.07765 0.07428 -0.64477 D45 1.39842 0.00522 0.00590 0.10403 0.11013 1.50854 D46 0.40430 -0.00064 0.00057 0.02872 0.02915 0.43345 D47 2.42315 -0.00148 0.00123 0.02681 0.02786 2.45101 D48 -1.74257 0.00469 0.01057 0.05320 0.06370 -1.67887 D49 1.07917 -0.00346 -0.01402 0.00332 -0.01095 1.06822 D50 -2.26072 -0.00621 -0.01004 -0.10035 -0.11055 -2.37126 D51 -1.02042 -0.00077 -0.00270 -0.00143 -0.00401 -1.02443 D52 1.92288 -0.00352 0.00128 -0.10511 -0.10360 1.81927 D53 -3.08213 0.00225 -0.00425 0.02751 0.02323 -3.05890 D54 -0.13883 -0.00050 -0.00027 -0.07617 -0.07637 -0.21520 D55 -2.84040 -0.00113 0.00851 -0.11895 -0.11022 -2.95063 D56 -0.68619 -0.00264 0.00935 -0.14097 -0.13146 -0.81765 D57 1.40537 -0.00237 0.01099 -0.14171 -0.13061 1.27476 D58 0.47622 0.00069 0.00467 -0.02738 -0.02272 0.45350 D59 2.63044 -0.00082 0.00551 -0.04940 -0.04396 2.58648 D60 -1.56119 -0.00056 0.00715 -0.05014 -0.04311 -1.60430 D61 -2.99266 0.00168 -0.00360 0.06950 0.06604 -2.92662 D62 0.15977 0.00102 -0.00466 0.05809 0.05360 0.21337 D63 -0.03006 -0.00094 0.00006 -0.02464 -0.02462 -0.05468 D64 3.12237 -0.00160 -0.00101 -0.03606 -0.03706 3.08530 D65 -0.70515 -0.00044 -0.00607 0.06062 0.05460 -0.65055 D66 1.28155 0.00091 -0.00914 0.10086 0.09181 1.37336 D67 -2.88567 0.00094 -0.00764 0.09434 0.08680 -2.79887 D68 -2.81605 -0.00008 -0.00846 0.07670 0.06825 -2.74780 D69 -0.82935 0.00127 -0.01153 0.11694 0.10547 -0.72388 D70 1.28662 0.00130 -0.01003 0.11042 0.10045 1.38707 D71 1.33371 0.00019 -0.00836 0.08310 0.07478 1.40849 D72 -2.96278 0.00154 -0.01143 0.12334 0.11200 -2.85078 D73 -0.84680 0.00157 -0.00993 0.11682 0.10698 -0.73982 D74 0.69562 -0.00053 0.00649 -0.07970 -0.07307 0.62255 D75 2.84708 -0.00016 0.00705 -0.08009 -0.07304 2.77404 D76 -1.27780 -0.00065 0.00732 -0.09313 -0.08560 -1.36340 D77 -1.28162 -0.00147 0.00944 -0.11627 -0.10689 -1.38851 D78 0.86984 -0.00110 0.00999 -0.11667 -0.10685 0.76299 D79 3.02815 -0.00159 0.01027 -0.12971 -0.11942 2.90873 D80 2.86572 -0.00153 0.00783 -0.10842 -0.10060 2.76512 D81 -1.26601 -0.00115 0.00838 -0.10882 -0.10056 -1.36657 D82 0.89230 -0.00164 0.00866 -0.12186 -0.11313 0.77918 D83 -0.42867 0.00054 -0.00446 0.06462 0.06025 -0.36842 D84 2.70315 0.00114 -0.00349 0.07482 0.07148 2.77463 D85 -2.63953 0.00113 -0.00473 0.07532 0.07070 -2.56882 D86 0.49229 0.00174 -0.00376 0.08552 0.08193 0.57423 D87 1.57257 0.00110 -0.00639 0.07790 0.07144 1.64402 D88 -1.57879 0.00171 -0.00542 0.08810 0.08267 -1.49612 D89 -0.02365 -0.00013 0.00061 0.00149 0.00200 -0.02165 D90 3.13037 -0.00090 -0.00061 -0.01173 -0.01225 3.11812 Item Value Threshold Converged? Maximum Force 0.023347 0.000450 NO RMS Force 0.004104 0.000300 NO Maximum Displacement 0.662724 0.001800 NO RMS Displacement 0.169166 0.001200 NO Predicted change in Energy=-6.645893D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.681369 -5.029888 2.622303 2 6 0 6.400870 -4.977595 4.114997 3 8 0 6.859856 -6.329870 2.131956 4 8 0 3.243948 -2.152862 -0.549923 5 6 0 3.910705 -2.842138 0.162333 6 7 0 5.011224 -2.339673 0.806501 7 6 0 5.872304 -3.013862 1.626795 8 8 0 6.806347 -2.450544 2.134467 9 7 0 5.615950 -4.365899 1.827095 10 6 0 4.463974 -4.971445 1.280792 11 6 0 3.665892 -4.257981 0.460241 12 1 0 7.564569 -4.445997 2.420581 13 1 0 6.307298 -3.942878 4.429916 14 1 0 7.236691 -5.417535 4.655231 15 1 0 5.224440 -1.375019 0.662506 16 6 0 4.132467 -6.449678 1.555657 17 17 0 2.248329 -4.888986 -0.325394 18 1 0 5.506186 -5.519942 4.373735 19 1 0 7.596482 -6.734910 2.585935 20 1 0 3.559892 -6.806677 0.714597 21 1 0 5.040145 -7.024985 1.582217 22 7 0 3.383593 -6.680663 2.768221 23 6 0 2.054640 -6.116366 2.982666 24 6 0 1.822975 -6.397108 4.466638 25 6 0 2.474239 -7.769915 4.620916 26 6 0 3.656135 -7.689288 3.680677 27 1 0 2.027447 -5.066264 2.720165 28 1 0 1.312161 -6.631778 2.372503 29 1 0 2.366456 -5.659802 5.055091 30 1 0 0.779368 -6.364839 4.758967 31 1 0 2.766077 -8.057161 5.623328 32 1 0 1.802177 -8.534890 4.231548 33 7 0 4.662582 -8.443521 3.782103 34 1 0 5.364208 -8.298042 3.081643 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519720 0.000000 3 O 1.400804 2.443720 0.000000 4 O 5.491463 6.301329 6.141227 0.000000 5 C 4.302822 5.136599 4.974051 1.194561 0.000000 6 N 3.650175 4.453750 4.593032 2.235632 1.370608 7 C 2.389557 3.213530 3.496621 3.519614 2.453978 8 O 2.628045 3.236186 3.879697 4.470487 3.525252 9 N 1.486054 2.494948 2.344659 4.021709 2.828628 10 C 2.592278 3.432830 2.882716 3.575527 2.467996 11 C 3.789915 4.621168 4.157976 2.372761 1.467411 12 H 1.077805 2.123166 2.031970 5.722773 4.585060 13 H 2.142191 1.085619 3.359118 6.114497 5.016727 14 H 2.142766 1.088116 2.709479 7.327600 6.154753 15 H 4.395624 5.126620 5.420740 2.448954 2.031874 16 C 3.106515 3.723292 2.790184 4.866782 3.873612 17 Cl 5.325469 6.080175 5.420415 2.920282 2.681596 18 H 2.165346 1.077751 2.741164 6.379448 5.239475 19 H 1.935422 2.618335 0.955391 7.055022 5.883237 20 H 4.066933 4.793685 3.622984 4.832890 4.018163 21 H 2.784925 3.529639 2.024042 5.613370 4.559376 22 N 3.690755 3.717285 3.551379 5.615209 4.669344 23 C 4.766227 4.633432 4.884608 5.440864 4.703172 24 C 5.373533 4.805809 5.552066 6.722996 5.960157 25 C 5.403901 4.844733 5.244263 7.673416 6.798925 26 C 4.164685 3.882716 3.809250 6.979963 5.994865 27 H 4.655092 4.591323 5.029400 4.545466 3.877615 28 H 5.608640 5.627395 5.561109 5.686217 5.098887 29 H 4.993368 4.198295 5.402255 6.669693 5.853462 30 H 6.417245 5.825841 6.623801 7.211048 6.583596 31 H 5.787922 4.997050 5.650862 8.555591 7.637349 32 H 6.219423 5.815145 5.903433 8.103792 7.308339 33 N 4.132012 3.891672 3.466774 7.768614 6.711448 34 H 3.553412 3.628755 2.648126 7.446276 6.356252 6 7 8 9 10 6 N 0.000000 7 C 1.367067 0.000000 8 O 2.235677 1.203118 0.000000 9 N 2.347956 1.390626 2.275986 0.000000 10 C 2.729590 2.436235 3.545478 1.411446 0.000000 11 C 2.368485 2.788716 3.991531 2.383833 1.348803 12 H 3.682585 2.354755 2.153740 2.038568 3.344982 13 H 4.168838 2.984925 2.783020 2.726094 3.791144 14 H 5.407278 4.100075 3.916948 3.425069 4.390193 15 H 0.998375 2.008827 2.413680 3.233405 3.727582 16 C 4.269144 3.851873 4.845382 2.572262 1.539682 17 Cl 3.926038 4.523310 5.724722 4.030843 2.737831 18 H 4.804608 3.736329 4.015713 2.798078 3.309585 19 H 5.400746 4.211762 4.379947 3.179711 3.824371 20 H 4.697759 4.534843 5.615283 3.379707 2.122739 21 H 4.749181 4.096777 4.934568 2.731712 2.154032 22 N 5.034057 4.576239 5.478211 3.350711 2.510198 23 C 5.266924 5.102791 6.061057 4.133087 3.164191 24 C 6.326477 5.992339 6.771144 5.047738 4.376872 25 C 7.104477 6.567469 7.296938 5.409539 4.790293 26 C 6.222181 5.566816 6.305477 4.280368 3.714663 27 H 4.472061 4.493410 5.479317 3.763699 2.831509 28 H 5.878571 5.868586 6.908362 4.894310 3.725918 29 H 6.005712 5.571821 6.208222 4.759554 4.372499 30 H 7.052131 6.854016 7.650763 5.998679 5.255051 31 H 7.805906 7.145333 7.741453 6.013200 5.591253 32 H 7.772364 7.337058 8.152223 6.140582 5.337627 33 N 6.799464 5.965733 6.574664 4.621468 4.283843 34 H 6.387726 5.504299 6.096733 4.135096 3.888411 11 12 13 14 15 11 C 0.000000 12 H 4.367833 0.000000 13 H 4.778560 2.423074 0.000000 14 H 5.629664 2.458668 1.757598 0.000000 15 H 3.283513 4.242398 4.686135 6.027681 0.000000 16 C 2.494226 4.067205 4.390364 4.506538 5.267095 17 Cl 1.739217 5.999919 6.323237 7.068928 4.709687 18 H 4.504960 3.033992 1.769764 1.756239 5.570726 19 H 5.109138 2.295100 3.585764 2.479297 6.168841 20 H 2.563549 4.951831 5.436283 5.565713 5.681227 21 H 3.286900 3.704962 4.383429 4.105134 5.727298 22 N 3.357954 4.753435 4.336444 4.472433 5.997717 23 C 3.523117 5.784928 4.990359 5.489945 6.157203 24 C 4.901370 6.399929 5.112118 5.504858 7.159802 25 C 5.573593 6.465398 5.419874 5.311857 8.007953 26 C 4.705865 5.232842 4.650334 4.350977 7.172094 27 H 2.906042 5.579803 4.743666 5.568132 5.299057 28 H 3.851195 6.623636 6.034445 6.464155 6.772262 29 H 4.976574 5.952676 4.343836 4.892624 6.769213 30 H 5.590163 7.428927 6.044185 6.527263 7.838237 31 H 6.473091 6.806145 5.558039 5.281215 8.677806 32 H 5.999011 7.294094 6.435996 6.279439 8.701362 33 N 5.435706 5.124009 4.835342 4.067552 7.746695 34 H 5.106675 4.485180 4.655611 3.778848 7.334849 16 17 18 19 20 16 C 0.000000 17 Cl 3.086112 0.000000 18 H 3.270027 5.752700 0.000000 19 H 3.625222 6.362863 3.006945 0.000000 20 H 1.078273 2.545451 4.339705 4.449845 0.000000 21 H 1.074971 3.999464 3.205452 2.761603 1.729616 22 N 1.443772 3.750919 2.903506 4.217180 2.065027 23 C 2.542600 3.533729 3.768815 5.590350 2.808283 24 C 3.716225 5.041719 3.787360 6.081492 4.154809 25 C 3.726736 5.728593 3.783673 5.608008 4.167229 26 C 2.505840 5.086474 2.934123 4.199480 3.096110 27 H 2.775071 3.058700 3.878368 5.815200 3.065897 28 H 2.941857 3.345502 4.778175 6.288790 2.798488 29 H 3.998592 5.436703 3.215853 5.882667 4.645374 30 H 4.638067 5.494244 4.817163 7.164640 4.927826 31 H 4.582245 6.759637 3.937913 5.857211 5.127328 32 H 4.115672 5.852981 4.778055 6.286648 4.294790 33 N 3.035373 5.944314 3.099840 3.599714 3.647571 34 H 2.694860 5.739188 3.067165 2.769866 3.329059 21 22 23 24 25 21 H 0.000000 22 N 2.066236 0.000000 23 C 3.420539 1.459635 0.000000 24 C 4.366268 2.323909 1.527959 0.000000 25 C 4.046293 2.333639 2.365196 1.527268 0.000000 26 C 2.600061 1.387147 2.350764 2.376539 1.512424 27 H 3.769332 2.108963 1.082756 2.205249 3.334998 28 H 3.831061 2.109459 1.090516 2.168272 2.775094 29 H 4.590555 2.703054 2.144907 1.088701 2.157012 30 H 5.355535 3.293145 2.200751 1.084256 2.205875 31 H 4.750511 3.229196 3.353494 2.232297 1.082825 32 H 4.447832 2.842597 2.733624 2.150769 1.090166 33 N 2.644674 2.402381 3.585542 3.566477 2.438482 34 H 1.993483 2.576235 3.965193 4.251129 3.316655 26 27 28 29 30 26 C 0.000000 27 H 3.233490 0.000000 28 H 2.885110 1.755944 0.000000 29 H 2.769675 2.432920 3.041802 0.000000 30 H 3.345544 2.720425 2.459743 1.761708 0.000000 31 H 2.168277 4.233131 3.835812 2.495980 2.749197 32 H 2.110844 3.790302 2.705180 3.043479 2.456304 33 N 1.261780 4.413333 4.061367 3.826458 4.511599 34 H 1.909696 4.659295 4.438289 4.454360 5.250852 31 32 33 34 31 H 0.000000 32 H 1.759086 0.000000 33 N 2.671350 2.896941 0.000000 34 H 3.642591 3.750526 1.002042 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.239419 2.459939 -0.333442 2 6 0 0.662205 2.798238 0.842218 3 8 0 0.444102 2.360997 -1.552155 4 8 0 -3.625372 -1.799152 0.409275 5 6 0 -2.809177 -0.941377 0.251087 6 7 0 -3.052346 0.349018 0.643918 7 6 0 -2.225175 1.428536 0.504987 8 8 0 -2.561134 2.515369 0.896675 9 7 0 -1.000508 1.202605 -0.113873 10 6 0 -0.608355 -0.101467 -0.485076 11 6 0 -1.479585 -1.121311 -0.343137 12 1 0 -1.000179 3.219627 -0.409479 13 1 0 0.063302 2.891505 1.742875 14 1 0 1.146845 3.755648 0.661976 15 1 0 -3.933190 0.537561 1.074404 16 6 0 0.774522 -0.373245 -1.105085 17 17 0 -1.152888 -2.765093 -0.808028 18 1 0 1.426802 2.052830 0.988183 19 1 0 0.871599 3.195089 -1.737383 20 1 0 0.676171 -1.250443 -1.724377 21 1 0 1.045431 0.439019 -1.755007 22 7 0 1.830121 -0.590126 -0.144277 23 6 0 1.799608 -1.693314 0.811014 24 6 0 2.944821 -1.331106 1.755445 25 6 0 3.966060 -0.744709 0.782945 26 6 0 3.096726 -0.030767 -0.227982 27 1 0 0.833149 -1.767654 1.293499 28 1 0 1.997076 -2.642800 0.312309 29 1 0 2.604060 -0.561009 2.445447 30 1 0 3.313804 -2.169659 2.335352 31 1 0 4.720557 -0.094317 1.207484 32 1 0 4.473349 -1.555036 0.259027 33 7 0 3.530184 0.892388 -0.970942 34 1 0 2.854007 1.264820 -1.609821 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4550727 0.3001196 0.2135319 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1698.3615632355 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.81D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.998234 -0.015390 0.001866 -0.057341 Ang= -6.81 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.15599468 A.U. after 14 cycles NFock= 14 Conv=0.73D-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 0.000161679 0.000118579 0.000248987 2 6 0.001532864 0.000346036 0.000181127 3 8 0.007701615 0.001128356 0.005107285 4 8 0.004110820 -0.003815885 0.004546384 5 6 -0.007030654 0.004014497 -0.007813952 6 7 0.005045087 -0.005105814 0.006113348 7 6 0.007518432 0.001498036 0.003014535 8 8 -0.008731430 -0.003867770 -0.004315605 9 7 -0.006365044 0.001487352 -0.004086070 10 6 0.001352209 -0.001885496 -0.003226094 11 6 0.001942472 -0.000916353 0.003506049 12 1 -0.001713247 -0.002274660 -0.000748681 13 1 0.000192274 -0.002345296 -0.000639679 14 1 -0.001067473 0.000568968 -0.000453046 15 1 -0.000155322 0.000201341 0.000028870 16 6 -0.000704455 -0.005135617 -0.000879907 17 17 0.002782618 -0.000291283 0.002122729 18 1 -0.002417950 -0.001596090 0.000146443 19 1 -0.005532738 0.004469633 -0.003508037 20 1 0.000183273 0.001788051 -0.002499969 21 1 -0.004336845 0.003932661 0.000311770 22 7 0.002909211 0.006733916 0.008577217 23 6 -0.001727025 -0.002142833 -0.002260106 24 6 0.001338836 0.003178702 0.002306414 25 6 -0.002524937 -0.001029589 -0.003172955 26 6 0.010908434 -0.003390121 -0.004197036 27 1 0.000292608 -0.001120299 0.002269744 28 1 0.000454611 0.001841245 -0.000217710 29 1 -0.002212246 -0.001102224 -0.000075173 30 1 0.000798024 -0.000494130 -0.001782718 31 1 0.000805606 0.002215225 -0.002176786 32 1 0.001500262 -0.000013644 0.002105822 33 7 -0.005507508 0.000788615 0.002481038 34 1 -0.001504058 0.002215891 -0.001014237 ------------------------------------------------------------------- Cartesian Forces: Max 0.010908434 RMS 0.003435225 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010410635 RMS 0.002401219 Search for a local minimum. Step number 5 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -2.90D-03 DEPred=-6.65D-03 R= 4.36D-01 Trust test= 4.36D-01 RLast= 6.00D-01 DXMaxT set to 8.49D-01 ITU= 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00249 0.00251 0.00566 0.00739 0.00958 Eigenvalues --- 0.00997 0.01059 0.01129 0.01274 0.01390 Eigenvalues --- 0.01416 0.01526 0.01792 0.01872 0.02062 Eigenvalues --- 0.02165 0.02348 0.02475 0.03175 0.03366 Eigenvalues --- 0.03735 0.04740 0.04885 0.05234 0.05411 Eigenvalues --- 0.05463 0.05735 0.05801 0.05896 0.06350 Eigenvalues --- 0.06390 0.06503 0.07215 0.08190 0.08318 Eigenvalues --- 0.08414 0.09233 0.10357 0.10800 0.13575 Eigenvalues --- 0.15634 0.16000 0.16000 0.16000 0.16014 Eigenvalues --- 0.16487 0.18243 0.19871 0.20834 0.21489 Eigenvalues --- 0.22561 0.23080 0.23727 0.24564 0.24799 Eigenvalues --- 0.24969 0.24985 0.24999 0.25470 0.27399 Eigenvalues --- 0.28138 0.28280 0.28508 0.29974 0.31578 Eigenvalues --- 0.32152 0.33139 0.33775 0.33809 0.33817 Eigenvalues --- 0.33838 0.33844 0.33902 0.33916 0.33944 Eigenvalues --- 0.34024 0.34554 0.34631 0.35715 0.35972 Eigenvalues --- 0.36700 0.37431 0.38662 0.41853 0.42369 Eigenvalues --- 0.46287 0.47396 0.48774 0.49252 0.51480 Eigenvalues --- 0.56508 0.58169 0.75992 0.82792 0.85422 Eigenvalues --- 0.90170 RFO step: Lambda=-4.75023719D-03 EMin= 2.48533243D-03 Quartic linear search produced a step of -0.30798. Iteration 1 RMS(Cart)= 0.16208061 RMS(Int)= 0.00675207 Iteration 2 RMS(Cart)= 0.01248485 RMS(Int)= 0.00019342 Iteration 3 RMS(Cart)= 0.00008352 RMS(Int)= 0.00018816 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00018816 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87185 -0.00053 -0.00142 0.00125 -0.00017 2.87168 R2 2.64714 -0.00548 -0.00328 -0.00545 -0.00873 2.63841 R3 2.80824 -0.00083 0.00184 -0.01025 -0.00841 2.79982 R4 2.03676 -0.00250 -0.00591 0.00703 0.00112 2.03788 R5 2.05152 -0.00244 -0.00324 0.00097 -0.00227 2.04925 R6 2.05624 -0.00127 -0.00256 0.00177 -0.00078 2.05546 R7 2.03665 0.00285 0.00126 -0.00123 0.00003 2.03668 R8 1.80543 -0.00783 -0.00735 0.00119 -0.00617 1.79926 R9 2.25739 -0.00721 -0.00645 0.00633 -0.00013 2.25727 R10 2.59007 0.00269 0.00267 0.00129 0.00381 2.59388 R11 2.77300 -0.00098 0.00141 -0.00435 -0.00297 2.77003 R12 2.58338 -0.00549 -0.00261 -0.00491 -0.00766 2.57573 R13 1.88666 0.00016 0.00049 -0.00051 -0.00002 1.88663 R14 2.27356 -0.01041 -0.00545 -0.00046 -0.00591 2.26766 R15 2.62790 -0.00594 -0.00070 -0.01568 -0.01635 2.61155 R16 2.66725 -0.00741 -0.00967 0.00551 -0.00400 2.66324 R17 2.54887 -0.00671 -0.00402 0.00451 0.00062 2.54949 R18 2.90958 -0.00812 -0.00877 0.00257 -0.00620 2.90338 R19 3.28664 -0.00312 -0.00341 0.00127 -0.00215 3.28450 R20 2.03764 0.00126 -0.00044 0.00008 -0.00036 2.03728 R21 2.03140 -0.00576 -0.00520 -0.00127 -0.00647 2.02493 R22 2.72833 -0.00171 -0.00181 0.00211 0.00030 2.72863 R23 2.75831 -0.00000 0.00225 -0.00115 0.00110 2.75941 R24 2.62133 -0.00302 -0.00134 -0.00231 -0.00370 2.61763 R25 2.88742 -0.00162 -0.00164 -0.00194 -0.00360 2.88382 R26 2.04611 -0.00164 -0.00357 0.00276 -0.00082 2.04529 R27 2.06078 -0.00106 -0.00180 0.00101 -0.00078 2.05999 R28 2.88612 0.00046 0.00161 -0.00246 -0.00076 2.88535 R29 2.05735 -0.00189 -0.00181 -0.00209 -0.00390 2.05345 R30 2.04895 -0.00126 -0.00312 0.00343 0.00031 2.04926 R31 2.85807 -0.00026 0.00299 -0.00462 -0.00165 2.85642 R32 2.04624 -0.00239 -0.00337 0.00029 -0.00308 2.04317 R33 2.06011 -0.00167 -0.00222 0.00022 -0.00200 2.05812 R34 2.38442 -0.00727 -0.00369 -0.00182 -0.00551 2.37891 R35 1.89358 -0.00002 0.00152 -0.00333 -0.00180 1.89178 A1 1.98152 -0.00175 -0.00290 0.00774 0.00478 1.98630 A2 1.95832 -0.00146 -0.00027 0.00675 0.00646 1.96478 A3 1.89277 0.00299 0.00769 -0.00407 0.00365 1.89642 A4 1.89514 0.00287 -0.00011 0.00392 0.00376 1.89890 A5 1.91009 -0.00193 -0.00535 -0.00710 -0.01247 1.89762 A6 1.81861 -0.00069 0.00107 -0.00912 -0.00802 1.81059 A7 1.91095 0.00022 0.00099 -0.00096 0.00003 1.91098 A8 1.90918 0.00044 0.00052 0.00230 0.00282 1.91200 A9 1.95165 -0.00092 0.00003 -0.00433 -0.00430 1.94734 A10 1.88340 -0.00016 -0.00029 0.00028 -0.00001 1.88339 A11 1.91605 0.00027 -0.00024 0.00063 0.00039 1.91644 A12 1.89126 0.00017 -0.00104 0.00228 0.00124 1.89251 A13 1.90217 -0.00206 -0.00040 -0.01247 -0.01287 1.88931 A14 2.11398 0.00122 0.00313 -0.00248 0.00061 2.11460 A15 2.19526 0.00205 0.00680 -0.00802 -0.00127 2.19400 A16 1.97388 -0.00328 -0.00999 0.01029 0.00012 1.97400 A17 2.22304 0.00145 0.00883 -0.01021 -0.00155 2.22148 A18 2.04644 -0.00084 -0.00410 0.00489 0.00087 2.04731 A19 2.01366 -0.00061 -0.00472 0.00535 0.00071 2.01438 A20 2.10748 -0.00036 -0.00706 0.02123 0.01419 2.12168 A21 2.03733 -0.00156 -0.00503 0.00349 -0.00153 2.03579 A22 2.13834 0.00192 0.01207 -0.02483 -0.01273 2.12561 A23 1.95986 -0.00204 0.00444 -0.03083 -0.02664 1.93322 A24 2.21501 0.00020 -0.00495 0.02375 0.01854 2.23355 A25 2.10811 0.00186 0.00054 0.00751 0.00824 2.11635 A26 2.08455 0.00182 0.00365 -0.00806 -0.00500 2.07955 A27 2.11593 -0.00453 -0.00300 -0.00155 -0.00577 2.11017 A28 2.08180 0.00281 -0.00038 0.01253 0.01088 2.09268 A29 2.13550 -0.00031 0.00244 -0.00459 -0.00195 2.13354 A30 1.97614 0.00279 0.00096 -0.00337 -0.00254 1.97360 A31 2.17142 -0.00248 -0.00338 0.00776 0.00426 2.17568 A32 1.86811 0.00081 -0.00174 0.00477 0.00299 1.87110 A33 1.91392 0.00126 -0.00228 -0.00590 -0.00814 1.90579 A34 1.99897 -0.00791 -0.00760 -0.00051 -0.00811 1.99086 A35 1.86550 -0.00031 0.00211 0.00319 0.00534 1.87084 A36 1.90360 0.00607 0.01321 0.00005 0.01325 1.91685 A37 1.90879 0.00060 -0.00311 -0.00114 -0.00422 1.90457 A38 2.13387 0.00102 0.00305 -0.00778 -0.00485 2.12903 A39 2.17350 -0.00390 0.00105 -0.01282 -0.01173 2.16177 A40 1.94266 0.00271 0.00161 0.00146 0.00317 1.94583 A41 1.78206 -0.00073 -0.00433 0.01083 0.00662 1.78868 A42 1.94141 0.00104 0.00310 -0.00173 0.00124 1.94266 A43 1.93368 -0.00001 -0.00248 0.00443 0.00202 1.93570 A44 1.99308 -0.00096 0.00641 -0.02363 -0.01718 1.97590 A45 1.93194 0.00076 -0.00255 0.00891 0.00629 1.93823 A46 1.88140 -0.00009 -0.00051 0.00190 0.00139 1.88279 A47 1.77073 -0.00118 -0.00642 0.00380 -0.00239 1.76834 A48 1.90163 0.00085 -0.00456 0.01363 0.00914 1.91076 A49 1.98484 -0.00033 0.00665 -0.01522 -0.00863 1.97621 A50 1.91906 0.00008 -0.00613 0.01415 0.00818 1.92725 A51 1.99320 0.00089 0.00874 -0.01231 -0.00378 1.98942 A52 1.89083 -0.00030 0.00036 -0.00182 -0.00148 1.88935 A53 1.79519 0.00171 -0.00288 0.01552 0.01288 1.80807 A54 2.03408 -0.00115 0.00438 -0.01809 -0.01377 2.02031 A55 1.90898 0.00076 -0.00134 0.01120 0.00978 1.91876 A56 1.95955 -0.00109 -0.00037 -0.00856 -0.00899 1.95056 A57 1.87247 -0.00030 -0.00173 0.00375 0.00179 1.87426 A58 1.88667 0.00017 0.00126 -0.00146 -0.00012 1.88655 A59 1.86937 -0.00260 -0.00587 0.00094 -0.00480 1.86457 A60 2.27082 0.00185 0.00435 0.00069 0.00498 2.27580 A61 2.14300 0.00075 0.00150 -0.00165 -0.00020 2.14280 A62 1.99932 -0.00541 -0.01302 0.00021 -0.01280 1.98652 D1 3.10851 -0.00081 0.00049 -0.00841 -0.00792 3.10058 D2 1.04797 -0.00101 -0.00005 -0.00953 -0.00959 1.03838 D3 -1.04715 -0.00093 0.00089 -0.01116 -0.01027 -1.05742 D4 -1.01769 0.00051 -0.00210 0.00824 0.00615 -1.01155 D5 -3.07823 0.00031 -0.00264 0.00711 0.00449 -3.07374 D6 1.10983 0.00039 -0.00170 0.00549 0.00381 1.11364 D7 0.98153 0.00066 0.00376 -0.00155 0.00220 0.98373 D8 -1.07901 0.00046 0.00322 -0.00267 0.00054 -1.07847 D9 3.10905 0.00054 0.00416 -0.00429 -0.00014 3.10891 D10 -1.03885 -0.00106 0.00048 -0.00935 -0.00885 -1.04770 D11 3.05325 -0.00010 0.00299 -0.02683 -0.02384 3.02941 D12 1.07846 0.00020 0.00453 -0.01448 -0.00997 1.06849 D13 1.56928 0.00287 0.00989 0.09343 0.10336 1.67264 D14 -1.59422 0.00403 0.02145 0.11614 0.13752 -1.45670 D15 -2.50932 0.00172 0.00586 0.11126 0.11719 -2.39212 D16 0.61037 0.00288 0.01743 0.13398 0.15135 0.76172 D17 -0.47482 0.00045 0.00022 0.10030 0.10059 -0.37423 D18 2.64487 0.00161 0.01178 0.12302 0.13474 2.77962 D19 -3.12036 -0.00037 -0.00339 -0.00675 -0.01012 -3.13048 D20 0.01075 -0.00017 -0.00218 -0.00255 -0.00482 0.00594 D21 0.03202 0.00040 0.00021 0.01366 0.01397 0.04599 D22 -3.12006 0.00060 0.00142 0.01786 0.01928 -3.10078 D23 -3.13788 0.00006 0.00236 -0.01010 -0.00770 3.13761 D24 -0.01269 -0.00013 0.00419 -0.02302 -0.01893 -0.03162 D25 -0.00766 -0.00077 -0.00152 -0.03160 -0.03308 -0.04074 D26 3.11752 -0.00095 0.00032 -0.04452 -0.04431 3.07321 D27 -3.14045 0.00047 0.00521 0.00214 0.00717 -3.13328 D28 0.00991 0.00006 -0.00234 0.01598 0.01353 0.02344 D29 0.01146 0.00028 0.00402 -0.00199 0.00195 0.01341 D30 -3.12137 -0.00013 -0.00353 0.01185 0.00831 -3.11306 D31 3.04349 0.00066 0.01628 -0.00887 0.00674 3.05023 D32 -0.07772 -0.00040 0.00546 -0.03029 -0.02495 -0.10267 D33 -0.08917 0.00027 0.00839 0.00498 0.01297 -0.07620 D34 3.07281 -0.00079 -0.00243 -0.01643 -0.01872 3.05409 D35 -3.01695 -0.00100 -0.01914 -0.01101 -0.03041 -3.04736 D36 0.07875 0.00159 -0.00482 0.06374 0.05810 0.13685 D37 0.10105 0.00020 -0.00671 0.01306 0.00658 0.10764 D38 -3.08643 0.00279 0.00761 0.08781 0.09509 -2.99134 D39 -0.05606 0.00059 0.00480 0.01973 0.02436 -0.03170 D40 3.10381 0.00075 0.00272 0.03425 0.03699 3.14080 D41 3.13052 -0.00175 -0.00924 -0.05318 -0.06281 3.06771 D42 0.00721 -0.00160 -0.01132 -0.03867 -0.05018 -0.04298 D43 -2.66233 -0.00203 -0.02328 -0.16815 -0.19160 -2.85393 D44 -0.64477 -0.00132 -0.02288 -0.16481 -0.18787 -0.83264 D45 1.50854 -0.00531 -0.03392 -0.17131 -0.20539 1.30315 D46 0.43345 0.00053 -0.00898 -0.09404 -0.10285 0.33060 D47 2.45101 0.00124 -0.00858 -0.09071 -0.09911 2.35189 D48 -1.67887 -0.00275 -0.01962 -0.09720 -0.11664 -1.79551 D49 1.06822 0.00207 0.00337 0.04245 0.04574 1.11396 D50 -2.37126 0.00179 0.03405 -0.04144 -0.00724 -2.37850 D51 -1.02443 0.00186 0.00123 0.03662 0.03770 -0.98672 D52 1.81927 0.00158 0.03191 -0.04727 -0.01528 1.80400 D53 -3.05890 -0.00154 -0.00715 0.03341 0.02613 -3.03277 D54 -0.21520 -0.00182 0.02352 -0.05048 -0.02685 -0.24205 D55 -2.95063 -0.00084 0.03395 -0.08659 -0.05285 -3.00347 D56 -0.81765 -0.00188 0.04049 -0.10896 -0.06863 -0.88628 D57 1.27476 -0.00132 0.04023 -0.10476 -0.06470 1.21006 D58 0.45350 0.00041 0.00700 -0.01064 -0.00361 0.44989 D59 2.58648 -0.00064 0.01354 -0.03301 -0.01940 2.56708 D60 -1.60430 -0.00007 0.01328 -0.02881 -0.01547 -1.61977 D61 -2.92662 0.00032 -0.02034 0.06064 0.04023 -2.88639 D62 0.21337 0.00052 -0.01651 0.05196 0.03538 0.24874 D63 -0.05468 -0.00004 0.00758 -0.01639 -0.00880 -0.06348 D64 3.08530 0.00016 0.01141 -0.02507 -0.01365 3.07166 D65 -0.65055 0.00072 -0.01681 0.03511 0.01815 -0.63241 D66 1.37336 0.00058 -0.02828 0.05824 0.02986 1.40322 D67 -2.79887 0.00060 -0.02673 0.05559 0.02874 -2.77013 D68 -2.74780 0.00042 -0.02102 0.04225 0.02115 -2.72664 D69 -0.72388 0.00028 -0.03248 0.06538 0.03287 -0.69101 D70 1.38707 0.00029 -0.03094 0.06273 0.03175 1.41883 D71 1.40849 0.00065 -0.02303 0.05005 0.02697 1.43546 D72 -2.85078 0.00051 -0.03449 0.07319 0.03868 -2.81210 D73 -0.73982 0.00052 -0.03295 0.07054 0.03757 -0.70226 D74 0.62255 0.00049 0.02250 -0.04322 -0.02076 0.60178 D75 2.77404 -0.00031 0.02249 -0.05336 -0.03088 2.74316 D76 -1.36340 -0.00031 0.02636 -0.05953 -0.03329 -1.39669 D77 -1.38851 0.00008 0.03292 -0.06616 -0.03322 -1.42173 D78 0.76299 -0.00072 0.03291 -0.07630 -0.04333 0.71965 D79 2.90873 -0.00072 0.03678 -0.08247 -0.04574 2.86299 D80 2.76512 -0.00022 0.03098 -0.06576 -0.03478 2.73034 D81 -1.36657 -0.00102 0.03097 -0.07590 -0.04490 -1.41146 D82 0.77918 -0.00102 0.03484 -0.08207 -0.04730 0.73187 D83 -0.36842 -0.00023 -0.01856 0.03634 0.01778 -0.35064 D84 2.77463 -0.00041 -0.02201 0.04423 0.02217 2.79680 D85 -2.56882 0.00067 -0.02178 0.05306 0.03127 -2.53756 D86 0.57423 0.00049 -0.02523 0.06095 0.03566 0.60988 D87 1.64402 0.00128 -0.02200 0.05741 0.03546 1.67947 D88 -1.49612 0.00110 -0.02546 0.06530 0.03984 -1.45627 D89 -0.02165 0.00008 -0.00062 0.00456 0.00397 -0.01767 D90 3.11812 0.00031 0.00377 -0.00530 -0.00155 3.11657 Item Value Threshold Converged? Maximum Force 0.010411 0.000450 NO RMS Force 0.002401 0.000300 NO Maximum Displacement 0.821598 0.001800 NO RMS Displacement 0.165515 0.001200 NO Predicted change in Energy=-3.921239D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.580729 -5.031702 2.679133 2 6 0 6.114256 -5.143435 4.121074 3 8 0 6.966251 -6.249519 2.115543 4 8 0 3.361377 -2.167424 -0.695939 5 6 0 3.981927 -2.865574 0.048587 6 7 0 5.024120 -2.365191 0.788549 7 6 0 5.819148 -3.046623 1.661128 8 8 0 6.701803 -2.501234 2.263998 9 7 0 5.568858 -4.398478 1.801469 10 6 0 4.465986 -5.007446 1.169777 11 6 0 3.714888 -4.281938 0.315583 12 1 0 7.416543 -4.351466 2.638665 13 1 0 5.872527 -4.156797 4.500644 14 1 0 6.916638 -5.549813 4.732739 15 1 0 5.237169 -1.395628 0.682303 16 6 0 4.080134 -6.460988 1.484206 17 17 0 2.328162 -4.886885 -0.539961 18 1 0 5.256386 -5.789597 4.211137 19 1 0 7.686073 -6.601495 2.629854 20 1 0 3.422354 -6.793644 0.697486 21 1 0 4.957479 -7.074897 1.444233 22 7 0 3.438423 -6.635832 2.765833 23 6 0 2.144411 -6.032310 3.071663 24 6 0 1.990402 -6.319839 4.562448 25 6 0 2.627532 -7.703385 4.668177 26 6 0 3.741372 -7.660572 3.647242 27 1 0 2.138369 -4.975478 2.838224 28 1 0 1.348519 -6.506445 2.497143 29 1 0 2.563640 -5.593827 5.132611 30 1 0 0.960999 -6.281507 4.901310 31 1 0 2.992275 -7.979024 5.647960 32 1 0 1.918684 -8.464368 4.344764 33 7 0 4.718221 -8.454268 3.670789 34 1 0 5.365344 -8.321370 2.918629 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519630 0.000000 3 O 1.396187 2.443660 0.000000 4 O 5.473520 6.295919 6.128869 0.000000 5 C 4.285517 5.130363 4.962820 1.194493 0.000000 6 N 3.620445 4.473562 4.541012 2.237751 1.372622 7 C 2.357303 3.245773 3.432328 3.517015 2.451213 8 O 2.567152 3.282556 3.760534 4.475611 3.526827 9 N 1.481603 2.496595 2.340449 4.010938 2.817932 10 C 2.598246 3.383111 2.947634 3.573063 2.465562 11 C 3.789665 4.580491 4.205067 2.370510 1.465839 12 H 1.078399 2.126195 2.019659 5.686299 4.551150 13 H 2.141241 1.084417 3.356252 6.104749 5.006240 14 H 2.144428 1.087701 2.709569 7.317853 6.144831 15 H 4.360449 5.161442 5.348285 2.452309 2.034200 16 C 3.118282 3.581434 2.961921 4.868710 3.872680 17 Cl 5.335528 6.010455 5.515464 2.913302 2.677130 18 H 2.162250 1.077765 2.743480 6.386751 5.244138 19 H 1.920538 2.611567 0.952128 7.030283 5.860098 20 H 4.123918 4.657304 3.855667 4.831901 4.020439 21 H 2.886964 3.497735 2.273119 5.586696 4.540697 22 N 3.529141 3.350225 3.608003 5.653006 4.679067 23 C 4.564669 4.201312 4.920517 5.532917 4.748017 24 C 5.126136 4.311021 5.545391 6.839061 6.022712 25 C 5.169328 4.360035 5.239671 7.743329 6.824912 26 C 3.988751 3.491571 3.838882 7.013008 6.000016 27 H 4.445563 4.181099 5.045185 4.676668 3.953792 28 H 5.439118 5.216052 5.636537 5.751041 5.117246 29 H 4.740521 3.719265 5.377324 6.807982 5.941566 30 H 6.171017 5.334795 6.620014 7.349605 6.659094 31 H 5.511591 4.485388 5.591211 8.611387 7.647206 32 H 6.024299 5.355507 5.945832 8.193995 7.352591 33 N 4.020731 3.621227 3.511887 7.773915 6.700447 34 H 3.515172 3.479369 2.738689 7.412964 6.317966 6 7 8 9 10 6 N 0.000000 7 C 1.363016 0.000000 8 O 2.238320 1.199993 0.000000 9 N 2.336023 1.381974 2.257661 0.000000 10 C 2.727336 2.432550 3.532322 1.409328 0.000000 11 C 2.368904 2.786468 3.986087 2.378791 1.349132 12 H 3.618274 2.282513 2.018561 2.029050 3.360614 13 H 4.208242 3.049293 2.903649 2.726935 3.714383 14 H 5.411107 4.111598 3.928698 3.425555 4.358275 15 H 0.998364 2.005638 2.422658 3.221748 3.725263 16 C 4.260353 3.835800 4.812575 2.563378 1.536402 17 Cl 3.923273 4.518665 5.716839 4.027772 2.740078 18 H 4.847125 3.787236 4.085819 2.799884 3.238266 19 H 5.331292 4.130491 4.232586 3.165771 3.878373 20 H 4.710111 4.551197 5.624370 3.400453 2.121964 21 H 4.755596 4.125106 4.963172 2.768505 2.142719 22 N 4.966132 4.446419 5.291161 3.236434 2.500984 23 C 5.191637 4.940407 5.821566 4.001204 3.171313 24 C 6.251800 5.812994 6.485516 4.911210 4.400126 25 C 7.020789 6.396420 7.031511 5.271796 4.784016 26 C 6.152936 5.436020 6.107068 4.169873 3.701617 27 H 4.397991 4.319047 5.222695 3.629882 2.864007 28 H 5.794767 5.714526 6.689822 4.768517 3.705064 29 H 5.945497 5.397942 5.909100 4.642920 4.434729 30 H 6.982929 6.675692 7.362249 5.864059 5.275652 31 H 7.697883 6.943675 7.430880 5.852742 5.572811 32 H 7.712999 7.194962 7.922549 6.026905 5.340374 33 N 6.743719 5.873108 6.430574 4.546139 4.266060 34 H 6.334804 5.441525 6.007383 4.083937 3.853494 11 12 13 14 15 11 C 0.000000 12 H 4.370788 0.000000 13 H 4.710181 2.426695 0.000000 14 H 5.600890 2.463957 1.756282 0.000000 15 H 3.283689 4.161010 4.754731 6.040190 0.000000 16 C 2.499469 4.112722 4.197722 4.407830 5.257343 17 Cl 1.738081 6.023450 6.205099 7.021036 4.705861 18 H 4.452481 3.034332 1.769034 1.756702 5.635601 19 H 5.148447 2.266132 3.572863 2.473902 6.073808 20 H 2.557361 5.068131 5.236442 5.480913 5.694942 21 H 3.258604 3.858851 4.323687 4.120492 5.736973 22 N 3.408955 4.589111 3.883304 4.140789 5.919149 23 C 3.623006 5.550504 4.411166 5.076034 6.064075 24 C 5.016249 6.084278 4.444487 4.988962 7.060090 25 C 5.642138 6.187803 4.810026 4.799841 7.904758 26 C 4.745083 5.047206 4.188861 3.964331 7.090683 27 H 3.054525 5.318678 4.168671 5.172127 5.202488 28 H 3.912459 6.440876 5.477364 6.075935 6.673507 29 H 5.123493 5.595882 3.662400 4.371547 6.676666 30 H 5.710611 7.107649 5.366380 6.002785 7.743221 31 H 6.528771 6.464455 4.921545 4.705244 8.546251 32 H 6.078928 7.074827 5.849132 5.798681 8.625140 33 N 5.447240 5.017888 4.526515 3.794290 7.682757 34 H 5.081029 4.477268 4.483712 3.657737 7.278975 16 17 18 19 20 16 C 0.000000 17 Cl 3.105553 0.000000 18 H 3.044747 5.653522 0.000000 19 H 3.786165 6.457153 3.010484 0.000000 20 H 1.078083 2.522749 4.088707 4.685111 0.000000 21 H 1.071548 3.954457 3.065468 3.012479 1.730128 22 N 1.443929 3.901252 2.471842 4.249964 2.074421 23 C 2.539844 3.793361 3.322904 5.588307 2.801693 24 C 3.723235 5.310557 3.327345 6.021205 4.148844 25 C 3.713661 5.928491 3.283648 5.563970 4.150392 26 C 2.496495 5.217583 2.472607 4.209202 3.091018 27 H 2.794738 3.384672 3.502814 5.784839 3.088220 28 H 2.913732 3.578642 4.327016 6.339656 2.760804 29 H 4.045070 5.721302 2.852774 5.789517 4.674108 30 H 4.630100 5.781136 4.378203 7.105528 4.898233 31 H 4.563411 6.949297 3.461827 5.747894 5.108550 32 H 4.107090 6.068492 4.279311 6.298728 4.284270 33 N 3.026792 6.014069 2.771655 3.650268 3.643827 34 H 2.677751 5.742996 2.844700 2.902954 3.323045 21 22 23 24 25 21 H 0.000000 22 N 2.060809 0.000000 23 C 3.413044 1.460219 0.000000 24 C 4.370003 2.329044 1.526051 0.000000 25 C 4.027092 2.327258 2.361092 1.526864 0.000000 26 C 2.583637 1.385190 2.352193 2.387690 1.511550 27 H 3.781290 2.110014 1.082323 2.191381 3.321068 28 H 3.802151 2.111074 1.090102 2.170788 2.789611 29 H 4.639846 2.729956 2.148378 1.086638 2.161022 30 H 5.343473 3.289900 2.193211 1.084421 2.203048 31 H 4.727662 3.210898 3.338544 2.221481 1.081197 32 H 4.424701 2.854150 2.754387 2.156742 1.089108 33 N 2.630107 2.400737 3.584597 3.576569 2.435075 34 H 1.973294 2.564645 3.954443 4.254233 3.307331 26 27 28 29 30 26 C 0.000000 27 H 3.230148 0.000000 28 H 2.894906 1.756150 0.000000 29 H 2.804427 2.414006 3.042217 0.000000 30 H 3.347385 2.710764 2.445565 1.759223 0.000000 31 H 2.159961 4.200602 3.846825 2.477595 2.750478 32 H 2.110644 3.806610 2.751772 3.045764 2.447812 33 N 1.258866 4.410305 4.065262 3.867980 4.511296 34 H 1.898635 4.649175 4.427921 4.493412 5.243121 31 32 33 34 31 H 0.000000 32 H 1.756836 0.000000 33 N 2.667199 2.879540 0.000000 34 H 3.632892 3.732797 1.001087 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 0.052400 2.376991 -0.333966 2 6 0 1.128473 2.468508 0.735131 3 8 0 0.553879 2.337001 -1.636370 4 8 0 -3.835654 -1.393852 0.455464 5 6 0 -2.915764 -0.654130 0.272631 6 7 0 -2.959061 0.651021 0.695477 7 6 0 -1.993242 1.600676 0.543280 8 8 0 -2.136809 2.715537 0.963345 9 7 0 -0.850689 1.219527 -0.134325 10 6 0 -0.647633 -0.117374 -0.531402 11 6 0 -1.640825 -1.013303 -0.355229 12 1 0 -0.600347 3.230281 -0.240363 13 1 0 0.662939 2.536972 1.712143 14 1 0 1.718242 3.369474 0.581743 15 1 0 -3.786704 0.953032 1.165080 16 6 0 0.702104 -0.573377 -1.106557 17 17 0 -1.545989 -2.692794 -0.792541 18 1 0 1.790503 1.618581 0.704850 19 1 0 1.051336 3.134376 -1.788944 20 1 0 0.536354 -1.518436 -1.598140 21 1 0 1.018477 0.122848 -1.857152 22 7 0 1.746523 -0.711475 -0.119110 23 6 0 1.666150 -1.692197 0.959760 24 6 0 2.863234 -1.322820 1.831186 25 6 0 3.885822 -0.908664 0.775676 26 6 0 3.043936 -0.261130 -0.299829 27 1 0 0.720940 -1.624977 1.482718 28 1 0 1.762425 -2.706292 0.571604 29 1 0 2.604990 -0.476304 2.461663 30 1 0 3.193465 -2.134159 2.470440 31 1 0 4.674013 -0.252120 1.117281 32 1 0 4.347784 -1.793015 0.339019 33 7 0 3.522942 0.522717 -1.160573 34 1 0 2.850136 0.856148 -1.822637 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4663378 0.2964073 0.2177848 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1704.5151650415 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.78D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.998709 0.013817 -0.010065 0.047829 Ang= 5.82 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.15617183 A.U. after 14 cycles NFock= 14 Conv=0.52D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.003484769 -0.001439150 0.001400617 2 6 0.000204761 -0.001182251 0.000573656 3 8 -0.002670297 -0.004817597 0.001093803 4 8 0.004770583 -0.004008792 0.004258659 5 6 -0.006355860 0.006443167 -0.006089616 6 7 0.003148107 -0.001660469 0.003232012 7 6 0.005080469 0.000550215 0.000048776 8 8 -0.006051860 0.008459755 -0.004548885 9 7 -0.004030778 -0.001855403 -0.001978853 10 6 -0.003454682 0.002855886 0.003732994 11 6 0.003188492 -0.003929553 0.002421428 12 1 -0.003739605 -0.004813108 0.000599171 13 1 0.000419749 -0.000694679 -0.000371658 14 1 -0.000562830 0.000641064 -0.000722024 15 1 -0.000553145 0.000290118 -0.000349819 16 6 0.001236908 0.000694832 -0.000117000 17 17 0.002021806 -0.001504394 0.002388999 18 1 0.002049577 0.001854527 0.001098744 19 1 -0.003449619 0.000984620 -0.003090220 20 1 0.000286917 0.000408653 -0.001051155 21 1 0.002916792 0.000515050 0.000056709 22 7 0.002407428 0.005826259 0.003091401 23 6 -0.001235154 0.000584512 -0.003483929 24 6 0.000016425 -0.000077912 0.000423163 25 6 -0.001561323 -0.001467255 0.001000790 26 6 0.002064625 -0.005179573 -0.003229420 27 1 0.000823317 -0.000305038 -0.000197589 28 1 0.000471746 0.001228935 -0.000197550 29 1 -0.001068709 -0.000630902 0.000056129 30 1 0.001026559 -0.000398821 -0.001347089 31 1 0.000557562 0.000710023 -0.000884891 32 1 0.001119493 0.000203241 0.001516024 33 7 -0.003461517 0.000698523 0.001810020 34 1 0.000899293 0.001015517 -0.001143399 ------------------------------------------------------------------- Cartesian Forces: Max 0.008459755 RMS 0.002675314 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.021600684 RMS 0.003376660 Search for a local minimum. Step number 6 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 DE= -1.77D-04 DEPred=-3.92D-03 R= 4.52D-02 Trust test= 4.52D-02 RLast= 5.69D-01 DXMaxT set to 4.24D-01 ITU= -1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00249 0.00302 0.00590 0.00869 0.00952 Eigenvalues --- 0.00992 0.01058 0.01131 0.01281 0.01402 Eigenvalues --- 0.01526 0.01779 0.01804 0.02064 0.02157 Eigenvalues --- 0.02328 0.02445 0.02748 0.03190 0.03368 Eigenvalues --- 0.03770 0.04884 0.04914 0.05178 0.05429 Eigenvalues --- 0.05438 0.05717 0.05826 0.06194 0.06293 Eigenvalues --- 0.06490 0.06659 0.07191 0.08121 0.08348 Eigenvalues --- 0.08466 0.09323 0.10012 0.10820 0.13355 Eigenvalues --- 0.15155 0.15973 0.16000 0.16000 0.16012 Eigenvalues --- 0.16139 0.18701 0.19059 0.20946 0.21386 Eigenvalues --- 0.22342 0.23008 0.24038 0.24685 0.24724 Eigenvalues --- 0.24944 0.24973 0.24985 0.26872 0.27265 Eigenvalues --- 0.27784 0.28279 0.28567 0.30689 0.31604 Eigenvalues --- 0.32102 0.32485 0.33772 0.33809 0.33819 Eigenvalues --- 0.33832 0.33842 0.33901 0.33912 0.33982 Eigenvalues --- 0.34055 0.34571 0.34648 0.35792 0.36111 Eigenvalues --- 0.36795 0.37366 0.37994 0.41860 0.42273 Eigenvalues --- 0.46620 0.48425 0.48790 0.49204 0.50478 Eigenvalues --- 0.56165 0.58222 0.75630 0.82468 0.85655 Eigenvalues --- 0.90159 RFO step: Lambda=-4.16424115D-03 EMin= 2.48651529D-03 Quartic linear search produced a step of -0.47430. Iteration 1 RMS(Cart)= 0.08846224 RMS(Int)= 0.00248679 Iteration 2 RMS(Cart)= 0.00369643 RMS(Int)= 0.00015846 Iteration 3 RMS(Cart)= 0.00000717 RMS(Int)= 0.00015840 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00015840 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87168 -0.00014 0.00008 -0.00470 -0.00462 2.86706 R2 2.63841 0.00246 0.00414 -0.00989 -0.00575 2.63266 R3 2.79982 0.00148 0.00399 0.00456 0.00854 2.80837 R4 2.03788 -0.00596 -0.00053 -0.01472 -0.01525 2.02263 R5 2.04925 -0.00086 0.00108 -0.00786 -0.00679 2.04247 R6 2.05546 -0.00106 0.00037 -0.00528 -0.00491 2.05055 R7 2.03668 -0.00265 -0.00001 -0.00071 -0.00072 2.03596 R8 1.79926 -0.00464 0.00293 -0.01974 -0.01681 1.78245 R9 2.25727 -0.00748 0.00006 -0.01659 -0.01653 2.24073 R10 2.59388 0.00087 -0.00181 0.01182 0.01008 2.60396 R11 2.77003 0.00026 0.00141 -0.00024 0.00117 2.77120 R12 2.57573 -0.00133 0.00363 -0.01179 -0.00809 2.56764 R13 1.88663 0.00020 0.00001 0.00108 0.00109 1.88772 R14 2.26766 -0.00289 0.00280 -0.01508 -0.01227 2.25538 R15 2.61155 0.01004 0.00776 -0.00112 0.00662 2.61818 R16 2.66324 -0.00884 0.00190 -0.02877 -0.02693 2.63632 R17 2.54949 -0.00827 -0.00029 -0.01689 -0.01725 2.53224 R18 2.90338 -0.00601 0.00294 -0.03060 -0.02766 2.87572 R19 3.28450 -0.00227 0.00102 -0.00977 -0.00875 3.27575 R20 2.03728 0.00047 0.00017 0.00360 0.00377 2.04105 R21 2.02493 0.00209 0.00307 -0.01314 -0.01007 2.01486 R22 2.72863 -0.00348 -0.00014 -0.00942 -0.00956 2.71907 R23 2.75941 -0.00155 -0.00052 -0.00156 -0.00191 2.75750 R24 2.61763 0.00077 0.00175 -0.00795 -0.00606 2.61157 R25 2.88382 0.00071 0.00171 -0.00436 -0.00267 2.88115 R26 2.04529 -0.00026 0.00039 -0.00512 -0.00473 2.04056 R27 2.05999 -0.00077 0.00037 -0.00408 -0.00371 2.05628 R28 2.88535 0.00105 0.00036 0.00124 0.00143 2.88679 R29 2.05345 -0.00096 0.00185 -0.00611 -0.00426 2.04919 R30 2.04926 -0.00141 -0.00015 -0.00650 -0.00664 2.04261 R31 2.85642 0.00068 0.00078 0.00235 0.00305 2.85946 R32 2.04317 -0.00079 0.00146 -0.00792 -0.00646 2.03670 R33 2.05812 -0.00132 0.00095 -0.00639 -0.00544 2.05267 R34 2.37891 -0.00306 0.00261 -0.01015 -0.00754 2.37137 R35 1.89178 0.00158 0.00086 0.00280 0.00365 1.89543 A1 1.98630 0.00069 -0.00227 -0.00029 -0.00252 1.98379 A2 1.96478 0.00620 -0.00307 0.01396 0.01090 1.97568 A3 1.89642 -0.00343 -0.00173 0.00699 0.00521 1.90163 A4 1.89890 -0.00757 -0.00178 -0.00504 -0.00679 1.89212 A5 1.89762 0.00304 0.00591 -0.01376 -0.00785 1.88977 A6 1.81059 0.00116 0.00380 -0.00301 0.00071 1.81130 A7 1.91098 -0.00059 -0.00001 -0.00294 -0.00296 1.90802 A8 1.91200 -0.00066 -0.00134 0.00001 -0.00134 1.91066 A9 1.94734 0.00218 0.00204 0.00706 0.00909 1.95644 A10 1.88339 0.00008 0.00001 -0.00314 -0.00315 1.88024 A11 1.91644 -0.00059 -0.00018 -0.00049 -0.00068 1.91576 A12 1.89251 -0.00049 -0.00059 -0.00079 -0.00139 1.89112 A13 1.88931 0.00169 0.00610 -0.00364 0.00246 1.89177 A14 2.11460 0.00051 -0.00029 0.00540 0.00511 2.11971 A15 2.19400 0.00207 0.00060 0.01857 0.01918 2.21317 A16 1.97400 -0.00255 -0.00006 -0.02417 -0.02411 1.94989 A17 2.22148 0.00224 0.00074 0.01874 0.01959 2.24107 A18 2.04731 -0.00175 -0.00041 -0.01075 -0.01122 2.03610 A19 2.01438 -0.00049 -0.00034 -0.00797 -0.00836 2.00601 A20 2.12168 -0.01051 -0.00673 -0.01682 -0.02377 2.09791 A21 2.03579 -0.00337 0.00073 -0.01121 -0.01067 2.02513 A22 2.12561 0.01390 0.00604 0.02851 0.03430 2.15991 A23 1.93322 0.02160 0.01264 0.01144 0.02413 1.95735 A24 2.23355 -0.01951 -0.00879 -0.01101 -0.01974 2.21380 A25 2.11635 -0.00208 -0.00391 -0.00037 -0.00437 2.11198 A26 2.07955 0.00507 0.00237 0.01218 0.01483 2.09438 A27 2.11017 -0.00334 0.00274 0.00219 0.00536 2.11552 A28 2.09268 -0.00161 -0.00516 -0.01472 -0.01945 2.07323 A29 2.13354 0.00078 0.00093 0.00501 0.00587 2.13941 A30 1.97360 0.00394 0.00121 0.01454 0.01579 1.98938 A31 2.17568 -0.00471 -0.00202 -0.01954 -0.02152 2.15416 A32 1.87110 -0.00162 -0.00142 -0.01364 -0.01499 1.85611 A33 1.90579 -0.00174 0.00386 -0.00780 -0.00388 1.90191 A34 1.99086 0.00227 0.00385 -0.01793 -0.01403 1.97683 A35 1.87084 0.00063 -0.00253 0.00698 0.00424 1.87507 A36 1.91685 -0.00123 -0.00629 0.02706 0.02064 1.93749 A37 1.90457 0.00155 0.00200 0.00644 0.00837 1.91294 A38 2.12903 -0.00360 0.00230 -0.01995 -0.01821 2.11082 A39 2.16177 0.00065 0.00556 -0.01938 -0.01446 2.14731 A40 1.94583 0.00246 -0.00150 0.01291 0.01099 1.95682 A41 1.78868 -0.00172 -0.00314 0.00108 -0.00196 1.78672 A42 1.94266 0.00017 -0.00059 -0.00400 -0.00467 1.93799 A43 1.93570 0.00045 -0.00096 0.00416 0.00323 1.93893 A44 1.97590 0.00108 0.00815 -0.00688 0.00119 1.97709 A45 1.93823 0.00054 -0.00298 0.00904 0.00607 1.94430 A46 1.88279 -0.00050 -0.00066 -0.00291 -0.00356 1.87923 A47 1.76834 0.00131 0.00114 0.00552 0.00652 1.77486 A48 1.91076 -0.00024 -0.00433 0.00722 0.00287 1.91363 A49 1.97621 -0.00066 0.00409 -0.01130 -0.00709 1.96913 A50 1.92725 -0.00057 -0.00388 0.00383 0.00002 1.92726 A51 1.98942 -0.00011 0.00179 -0.00140 0.00045 1.98986 A52 1.88935 0.00027 0.00070 -0.00285 -0.00219 1.88716 A53 1.80807 -0.00058 -0.00611 0.01416 0.00788 1.81595 A54 2.02031 0.00045 0.00653 -0.00852 -0.00193 2.01838 A55 1.91876 0.00027 -0.00464 0.01387 0.00926 1.92802 A56 1.95056 -0.00004 0.00426 -0.01586 -0.01149 1.93907 A57 1.87426 0.00019 -0.00085 0.00153 0.00065 1.87491 A58 1.88655 -0.00029 0.00006 -0.00377 -0.00377 1.88278 A59 1.86457 -0.00117 0.00228 -0.00770 -0.00535 1.85922 A60 2.27580 0.00087 -0.00236 0.00981 0.00741 2.28320 A61 2.14280 0.00031 0.00010 -0.00209 -0.00204 2.14076 A62 1.98652 -0.00124 0.00607 -0.03531 -0.02923 1.95729 D1 3.10058 0.00186 0.00376 -0.01210 -0.00833 3.09225 D2 1.03838 0.00250 0.00455 -0.00654 -0.00199 1.03639 D3 -1.05742 0.00215 0.00487 -0.01006 -0.00519 -1.06261 D4 -1.01155 -0.00279 -0.00292 -0.00774 -0.01067 -1.02221 D5 -3.07374 -0.00214 -0.00213 -0.00218 -0.00433 -3.07807 D6 1.11364 -0.00249 -0.00180 -0.00570 -0.00753 1.10611 D7 0.98373 -0.00000 -0.00104 0.00065 -0.00038 0.98335 D8 -1.07847 0.00064 -0.00025 0.00620 0.00597 -1.07251 D9 3.10891 0.00029 0.00007 0.00268 0.00276 3.11167 D10 -1.04770 0.00145 0.00420 -0.01292 -0.00873 -1.05643 D11 3.02941 -0.00122 0.01131 -0.02717 -0.01585 3.01356 D12 1.06849 -0.00028 0.00473 -0.01410 -0.00937 1.05912 D13 1.67264 -0.00264 -0.04902 -0.00954 -0.05858 1.61405 D14 -1.45670 -0.00437 -0.06522 -0.01614 -0.08130 -1.53800 D15 -2.39212 -0.00303 -0.05559 -0.00350 -0.05914 -2.45126 D16 0.76172 -0.00477 -0.07179 -0.01009 -0.08186 0.67987 D17 -0.37423 -0.00228 -0.04771 -0.02290 -0.07065 -0.44488 D18 2.77962 -0.00401 -0.06391 -0.02949 -0.09337 2.68625 D19 -3.13048 0.00054 0.00480 0.00412 0.00896 -3.12152 D20 0.00594 0.00063 0.00228 0.00766 0.00983 0.01577 D21 0.04599 -0.00024 -0.00663 0.00972 0.00303 0.04902 D22 -3.10078 -0.00015 -0.00914 0.01327 0.00390 -3.09688 D23 3.13761 -0.00031 0.00365 -0.00415 -0.00053 3.13708 D24 -0.03162 0.00007 0.00898 -0.00397 0.00498 -0.02664 D25 -0.04074 0.00047 0.01569 -0.01043 0.00539 -0.03535 D26 3.07321 0.00085 0.02101 -0.01025 0.01090 3.08412 D27 -3.13328 0.00106 -0.00340 0.02706 0.02296 -3.11032 D28 0.02344 -0.00067 -0.00642 -0.00837 -0.01473 0.00871 D29 0.01341 0.00098 -0.00092 0.02358 0.02211 0.03551 D30 -3.11306 -0.00075 -0.00394 -0.01184 -0.01558 -3.12863 D31 3.05023 -0.00025 -0.00320 0.00009 -0.00317 3.04705 D32 -0.10267 0.00118 0.01183 0.00607 0.01790 -0.08477 D33 -0.07620 -0.00176 -0.00615 -0.03500 -0.04178 -0.11799 D34 3.05409 -0.00032 0.00888 -0.02902 -0.02071 3.03338 D35 -3.04736 0.00149 0.01442 0.00077 0.01495 -3.03241 D36 0.13685 -0.00184 -0.02756 0.01066 -0.01716 0.11970 D37 0.10764 -0.00053 -0.00312 -0.00651 -0.00976 0.09788 D38 -2.99134 -0.00386 -0.04510 0.00338 -0.04187 -3.03321 D39 -0.03170 -0.00033 -0.01155 0.00968 -0.00192 -0.03362 D40 3.14080 -0.00090 -0.01754 0.00887 -0.00861 3.13220 D41 3.06771 0.00292 0.02979 0.00031 0.03001 3.09772 D42 -0.04298 0.00234 0.02380 -0.00051 0.02332 -0.01965 D43 -2.85393 0.00330 0.09088 -0.01842 0.07238 -2.78155 D44 -0.83264 0.00228 0.08911 -0.02152 0.06747 -0.76517 D45 1.30315 0.00457 0.09742 -0.03148 0.06577 1.36892 D46 0.33060 -0.00021 0.04878 -0.00912 0.03983 0.37042 D47 2.35189 -0.00123 0.04701 -0.01221 0.03492 2.38681 D48 -1.79551 0.00106 0.05532 -0.02218 0.03322 -1.76228 D49 1.11396 -0.00047 -0.02170 0.03839 0.01637 1.13033 D50 -2.37850 -0.00183 0.00343 -0.05575 -0.05205 -2.43055 D51 -0.98672 0.00097 -0.01788 0.04842 0.03038 -0.95634 D52 1.80400 -0.00039 0.00725 -0.04571 -0.03804 1.76596 D53 -3.03277 0.00001 -0.01239 0.02065 0.00785 -3.02492 D54 -0.24205 -0.00135 0.01273 -0.07349 -0.06057 -0.30262 D55 -3.00347 -0.00132 0.02507 -0.08835 -0.06331 -3.06679 D56 -0.88628 -0.00098 0.03255 -0.09784 -0.06536 -0.95163 D57 1.21006 -0.00120 0.03069 -0.10140 -0.07080 1.13926 D58 0.44989 0.00004 0.00171 0.00036 0.00223 0.45212 D59 2.56708 0.00039 0.00920 -0.00913 0.00019 2.56727 D60 -1.61977 0.00017 0.00734 -0.01268 -0.00525 -1.62502 D61 -2.88639 0.00165 -0.01908 0.06474 0.04594 -2.84046 D62 0.24874 0.00199 -0.01678 0.06972 0.05320 0.30194 D63 -0.06348 -0.00063 0.00417 -0.02590 -0.02185 -0.08533 D64 3.07166 -0.00029 0.00647 -0.02092 -0.01459 3.05707 D65 -0.63241 0.00042 -0.00861 0.02858 0.01989 -0.61252 D66 1.40322 0.00032 -0.01416 0.03857 0.02434 1.42756 D67 -2.77013 0.00006 -0.01363 0.03251 0.01885 -2.75127 D68 -2.72664 0.00074 -0.01003 0.03617 0.02610 -2.70054 D69 -0.69101 0.00065 -0.01559 0.04616 0.03055 -0.66047 D70 1.41883 0.00038 -0.01506 0.04010 0.02506 1.44389 D71 1.43546 0.00022 -0.01279 0.03820 0.02538 1.46084 D72 -2.81210 0.00013 -0.01835 0.04818 0.02982 -2.78227 D73 -0.70226 -0.00014 -0.01782 0.04213 0.02434 -0.67792 D74 0.60178 -0.00025 0.00985 -0.03847 -0.02875 0.57304 D75 2.74316 -0.00045 0.01465 -0.05324 -0.03866 2.70450 D76 -1.39669 -0.00029 0.01579 -0.05341 -0.03766 -1.43435 D77 -1.42173 -0.00042 0.01576 -0.05109 -0.03538 -1.45711 D78 0.71965 -0.00062 0.02055 -0.06585 -0.04530 0.67435 D79 2.86299 -0.00046 0.02170 -0.06602 -0.04430 2.81869 D80 2.73034 -0.00026 0.01650 -0.04926 -0.03285 2.69749 D81 -1.41146 -0.00046 0.02129 -0.06403 -0.04277 -1.45423 D82 0.73187 -0.00030 0.02244 -0.06420 -0.04177 0.69011 D83 -0.35064 0.00079 -0.00843 0.04045 0.03201 -0.31864 D84 2.79680 0.00047 -0.01051 0.03589 0.02544 2.82223 D85 -2.53756 0.00064 -0.01483 0.05070 0.03586 -2.50170 D86 0.60988 0.00033 -0.01691 0.04614 0.02929 0.63917 D87 1.67947 0.00090 -0.01682 0.06342 0.04653 1.72600 D88 -1.45627 0.00059 -0.01890 0.05885 0.03996 -1.41632 D89 -0.01767 0.00023 -0.00188 0.00168 -0.00020 -0.01787 D90 3.11657 0.00061 0.00074 0.00734 0.00807 3.12464 Item Value Threshold Converged? Maximum Force 0.021601 0.000450 NO RMS Force 0.003377 0.000300 NO Maximum Displacement 0.458473 0.001800 NO RMS Displacement 0.089048 0.001200 NO Predicted change in Energy=-3.901758D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.617023 -5.046703 2.658135 2 6 0 6.258325 -5.076838 4.131999 3 8 0 6.883530 -6.304503 2.121705 4 8 0 3.297252 -2.192613 -0.641394 5 6 0 3.932742 -2.879104 0.087217 6 7 0 5.005267 -2.378904 0.793090 7 6 0 5.837263 -3.036433 1.642560 8 8 0 6.708922 -2.446785 2.205555 9 7 0 5.583965 -4.387268 1.817597 10 6 0 4.472486 -4.992079 1.230174 11 6 0 3.693566 -4.293188 0.393247 12 1 0 7.484232 -4.433910 2.523824 13 1 0 6.115141 -4.065697 4.485946 14 1 0 7.078053 -5.511055 4.694984 15 1 0 5.209705 -1.408880 0.670050 16 6 0 4.111395 -6.439472 1.530891 17 17 0 2.300828 -4.958978 -0.395333 18 1 0 5.371244 -5.658193 4.321393 19 1 0 7.616396 -6.676284 2.584708 20 1 0 3.482709 -6.771195 0.717700 21 1 0 4.999053 -7.029755 1.509710 22 7 0 3.449201 -6.608710 2.797069 23 6 0 2.133406 -6.026245 3.039361 24 6 0 1.892867 -6.361805 4.507033 25 6 0 2.561077 -7.730438 4.625217 26 6 0 3.719204 -7.658779 3.653998 27 1 0 2.136343 -4.965157 2.839129 28 1 0 1.379961 -6.481066 2.399437 29 1 0 2.400359 -5.637479 5.134483 30 1 0 0.844755 -6.359787 4.771253 31 1 0 2.898688 -8.000998 5.612344 32 1 0 1.891640 -8.511373 4.276098 33 7 0 4.693048 -8.448742 3.701994 34 1 0 5.361353 -8.269585 2.975825 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517185 0.000000 3 O 1.393142 2.437074 0.000000 4 O 5.482116 6.314427 6.115860 0.000000 5 C 4.302728 5.157387 4.957787 1.185745 0.000000 6 N 3.632258 4.471836 4.550101 2.238250 1.377958 7 C 2.383401 3.246206 3.464756 3.518542 2.463950 8 O 2.640615 3.291110 3.862578 4.450754 3.518726 9 N 1.486125 2.507335 2.336052 4.011509 2.827598 10 C 2.577033 3.408372 2.886246 3.566644 2.462181 11 C 3.774136 4.601126 4.148351 2.374861 1.466456 12 H 1.070330 2.121894 2.005408 5.707260 4.579035 13 H 2.134280 1.080827 3.345491 6.143172 5.051702 14 H 2.139375 1.085104 2.699846 7.333720 6.168604 15 H 4.377988 5.151564 5.373650 2.447774 2.032705 16 C 3.080367 3.637560 2.837606 4.839160 3.846081 17 Cl 5.287807 6.014350 5.398803 2.950624 2.687354 18 H 2.166174 1.077383 2.746517 6.398511 5.265061 19 H 1.913027 2.607047 0.943232 7.011850 5.850243 20 H 4.069778 4.715118 3.708722 4.779639 3.968427 21 H 2.805209 3.503719 2.109924 5.560694 4.515352 22 N 3.534723 3.466965 3.513299 5.598931 4.635415 23 C 4.605177 4.371520 4.845947 5.440517 4.675174 24 C 5.240760 4.566071 5.531708 6.772057 5.985405 25 C 5.246194 4.577608 5.194658 7.677673 6.783093 26 C 4.026418 3.652676 3.767618 6.964726 5.967648 27 H 4.485076 4.321426 4.984409 4.598777 3.892516 28 H 5.436096 5.363959 5.513400 5.595846 4.983692 29 H 4.925604 4.025319 5.442479 6.784709 5.952455 30 H 6.285582 5.600119 6.594692 7.257880 6.602349 31 H 5.592962 4.693537 5.562520 8.544321 7.604610 32 H 6.078732 5.557403 5.867763 8.129219 7.309943 33 N 4.045392 3.742290 3.448665 7.742895 6.683229 34 H 3.473414 3.512112 2.628325 7.367115 6.280308 6 7 8 9 10 6 N 0.000000 7 C 1.358736 0.000000 8 O 2.214070 1.193497 0.000000 9 N 2.327666 1.385479 2.276293 0.000000 10 C 2.702513 2.420171 3.525838 1.395080 0.000000 11 C 2.354765 2.781304 3.973164 2.368804 1.340003 12 H 3.655647 2.332825 2.156633 2.027793 3.325011 13 H 4.208833 3.036683 2.858957 2.739643 3.762520 14 H 5.415865 4.120753 3.965257 3.431407 4.366146 15 H 0.998939 1.997132 2.383836 3.213678 3.700884 16 C 4.222745 3.817299 4.810808 2.542087 1.521764 17 Cl 3.922132 4.511714 5.701493 4.000362 2.712833 18 H 4.830796 3.777161 4.071767 2.815936 3.287417 19 H 5.338105 4.159503 4.342341 3.155761 3.815165 20 H 4.649311 4.510848 5.596668 3.362761 2.099416 21 H 4.705741 4.082507 4.940795 2.723904 2.123096 22 N 4.932396 4.449370 5.319519 3.232861 2.473008 23 C 5.157171 4.960704 5.868825 4.010650 3.132723 24 C 6.272472 5.900980 6.619559 4.975547 4.389578 25 C 7.021267 6.454714 7.139774 5.310120 4.762186 26 C 6.141322 5.467919 6.180719 4.189569 3.681528 27 H 4.371007 4.341494 5.258526 3.641920 2.836728 28 H 5.705342 5.683828 6.686616 4.732460 3.626013 29 H 6.020926 5.547186 6.109244 4.764463 4.466977 30 H 6.998791 6.764506 7.502189 5.922418 5.250743 31 H 7.698755 7.002950 7.548071 5.888112 5.543812 32 H 7.709292 7.244200 8.017018 6.056875 5.322016 33 N 6.738111 5.902846 6.505887 4.565114 4.255240 34 H 6.292158 5.421251 6.026131 4.057516 3.818302 11 12 13 14 15 11 C 0.000000 12 H 4.350667 0.000000 13 H 4.760878 2.420726 0.000000 14 H 5.607396 2.457471 1.749273 0.000000 15 H 3.270249 4.214351 4.737041 6.043067 0.000000 16 C 2.464823 4.047743 4.287442 4.435595 5.220555 17 Cl 1.733452 5.972005 6.258899 7.002714 4.711666 18 H 4.484213 3.032299 1.765362 1.753401 5.604914 19 H 5.086279 2.247090 3.561410 2.469988 6.099477 20 H 2.508037 4.973648 5.333770 5.507563 5.633756 21 H 3.231034 3.734026 4.346179 4.095688 5.687146 22 N 3.346598 4.591938 4.052956 4.239752 5.887429 23 C 3.526968 5.606483 4.668037 5.239852 6.033018 24 C 4.944181 6.238049 4.806262 5.257875 7.089098 25 C 5.568374 6.286526 5.106966 5.033250 7.913323 26 C 4.686188 5.084537 4.398056 4.120466 7.084263 27 H 2.976377 5.383452 4.399076 5.306855 5.176636 28 H 3.763559 6.439599 5.710469 6.219221 6.586713 29 H 5.094979 5.840367 4.085426 4.699996 6.760520 30 H 5.617249 7.269291 5.755104 6.291277 7.770723 31 H 6.451252 6.579536 5.205856 4.950602 8.557049 32 H 6.009704 7.139555 6.135636 6.006351 8.628936 33 N 5.405127 5.029679 4.674186 3.912069 7.682401 34 H 5.026226 4.407190 4.530048 3.675875 7.239397 16 17 18 19 20 16 C 0.000000 17 Cl 3.029910 0.000000 18 H 3.159829 5.671319 0.000000 19 H 3.667648 6.331276 3.015509 0.000000 20 H 1.080077 2.433067 4.218050 4.536750 0.000000 21 H 1.066217 3.898426 3.150439 2.851499 1.730155 22 N 1.438871 3.772507 2.630836 4.173150 2.085978 23 C 2.521642 3.600584 3.501809 5.540076 2.786697 24 C 3.712859 5.115423 3.553680 6.045909 4.129679 25 C 3.693905 5.740614 3.504790 5.552583 4.127741 26 C 2.479537 5.069299 2.678993 4.158941 3.076619 27 H 2.790326 3.238647 3.625189 5.746623 3.094339 28 H 2.866502 3.312927 4.505705 6.242240 2.708129 29 H 4.068994 5.572175 3.080212 5.898094 4.686658 30 H 4.601872 5.547614 4.602577 7.122940 4.853797 31 H 4.535116 6.760436 3.642640 5.760054 5.080456 32 H 4.093439 5.882959 4.500037 6.245093 4.268713 33 N 3.014826 5.889759 2.937818 3.596652 3.631129 34 H 2.645665 5.629533 2.937690 2.788692 3.297515 21 22 23 24 25 21 H 0.000000 22 N 2.058303 0.000000 23 C 3.399823 1.459208 0.000000 24 C 4.367893 2.325320 1.524638 0.000000 25 C 4.017595 2.321457 2.366880 1.527622 0.000000 26 C 2.575200 1.381982 2.357478 2.396939 1.513162 27 H 3.771608 2.103956 1.079819 2.189021 3.319230 28 H 3.767028 2.110961 1.088138 2.172385 2.812483 29 H 4.672325 2.739865 2.147542 1.084384 2.160014 30 H 5.323975 3.277576 2.184335 1.080905 2.201311 31 H 4.710249 3.188621 3.332499 2.218184 1.077777 32 H 4.416345 2.869433 2.786365 2.161938 1.086227 33 N 2.629311 2.398283 3.585993 3.583910 2.431790 34 H 1.953953 2.539052 3.931444 4.244363 3.294347 26 27 28 29 30 26 C 0.000000 27 H 3.228786 0.000000 28 H 2.903960 1.750263 0.000000 29 H 2.831403 2.406319 3.038639 0.000000 30 H 3.346355 2.710405 2.434474 1.753160 0.000000 31 H 2.150693 4.181892 3.865164 2.462297 2.760371 32 H 2.110429 3.834111 2.811728 3.042184 2.443454 33 N 1.254877 4.406432 4.067548 3.900211 4.507372 34 H 1.878738 4.619375 4.402556 4.511682 5.222121 31 32 33 34 31 H 0.000000 32 H 1.749337 0.000000 33 N 2.658879 2.860315 0.000000 34 H 3.617747 3.713230 1.003021 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.071930 2.409477 -0.340142 2 6 0 0.925763 2.645312 0.778268 3 8 0 0.513623 2.312349 -1.600514 4 8 0 -3.735335 -1.598803 0.412689 5 6 0 -2.866605 -0.809158 0.246078 6 7 0 -2.995716 0.499413 0.658074 7 6 0 -2.107872 1.518836 0.521427 8 8 0 -2.359701 2.597834 0.965029 9 7 0 -0.921329 1.209413 -0.123495 10 6 0 -0.632026 -0.100432 -0.506716 11 6 0 -1.552854 -1.061943 -0.354463 12 1 0 -0.772819 3.218225 -0.357085 13 1 0 0.394999 2.758748 1.712938 14 1 0 1.467117 3.567037 0.591694 15 1 0 -3.849974 0.743295 1.114851 16 6 0 0.724790 -0.470577 -1.087929 17 17 0 -1.293409 -2.713612 -0.812210 18 1 0 1.640098 1.842939 0.859986 19 1 0 0.960043 3.122627 -1.784483 20 1 0 0.582470 -1.395639 -1.626976 21 1 0 1.012100 0.271633 -1.797434 22 7 0 1.752226 -0.607831 -0.089988 23 6 0 1.681103 -1.658106 0.920532 24 6 0 2.888725 -1.349071 1.798409 25 6 0 3.896148 -0.837682 0.770203 26 6 0 3.041458 -0.142686 -0.267172 27 1 0 0.743700 -1.618899 1.455084 28 1 0 1.761774 -2.643949 0.467046 29 1 0 2.635921 -0.564599 2.503094 30 1 0 3.230073 -2.207725 2.359258 31 1 0 4.657373 -0.176911 1.151675 32 1 0 4.392470 -1.669419 0.278506 33 7 0 3.509863 0.683782 -1.087090 34 1 0 2.808405 1.035748 -1.711691 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4647468 0.3016462 0.2186628 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1709.2908762966 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.54D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999673 -0.006789 0.006191 -0.023871 Ang= -2.93 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.15878968 A.U. after 13 cycles NFock= 13 Conv=0.93D-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 -0.002132855 0.001002087 -0.002509267 2 6 -0.000733792 -0.000249036 -0.000037558 3 8 -0.005154569 -0.001354694 -0.003128400 4 8 -0.003938040 0.003710418 -0.004886499 5 6 0.005817384 -0.005111304 0.007158702 6 7 -0.003174325 0.003418904 -0.005622272 7 6 -0.008170444 -0.001492763 -0.000208004 8 8 0.008540666 0.000283003 0.004157229 9 7 0.006139423 0.000475884 0.004216663 10 6 -0.001283958 -0.000891827 0.000682112 11 6 -0.002893838 0.003259014 -0.004293873 12 1 0.002077884 0.003050773 0.000953889 13 1 -0.000433975 0.001400497 0.000613616 14 1 0.000855673 -0.000399513 0.000038230 15 1 -0.000154565 -0.000221532 0.000030008 16 6 -0.000014260 -0.001863252 -0.003088544 17 17 -0.002533227 0.002308808 -0.002567543 18 1 -0.000742424 -0.000359313 -0.000235316 19 1 0.004699524 -0.002953528 0.002198449 20 1 0.000667681 -0.002229899 0.003058339 21 1 0.002869999 -0.002092288 0.000003406 22 7 0.002411911 0.005493819 -0.000468256 23 6 0.000171251 -0.001505022 -0.001064048 24 6 0.000966959 -0.001004490 -0.000061399 25 6 -0.000233405 -0.001246357 -0.000008474 26 6 -0.007905698 -0.000151348 0.004176547 27 1 0.000502079 0.001349162 0.000054901 28 1 -0.000054403 -0.000060539 -0.000254024 29 1 0.000069098 0.000391509 0.000616829 30 1 -0.001254140 -0.000656341 -0.000026458 31 1 0.000473763 0.000225405 0.002107975 32 1 -0.000496516 -0.000594423 0.000545047 33 7 0.003487814 -0.000194759 -0.002888981 34 1 0.001553325 -0.001737055 0.000736973 ------------------------------------------------------------------- Cartesian Forces: Max 0.008540666 RMS 0.002795127 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.011350462 RMS 0.002199796 Search for a local minimum. Step number 7 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 7 DE= -2.62D-03 DEPred=-3.90D-03 R= 6.71D-01 TightC=F SS= 1.41D+00 RLast= 3.59D-01 DXNew= 7.1352D-01 1.0772D+00 Trust test= 6.71D-01 RLast= 3.59D-01 DXMaxT set to 7.14D-01 ITU= 1 -1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00249 0.00288 0.00515 0.00852 0.00951 Eigenvalues --- 0.00971 0.01045 0.01094 0.01280 0.01402 Eigenvalues --- 0.01530 0.01802 0.01850 0.02064 0.02161 Eigenvalues --- 0.02328 0.02446 0.02778 0.03194 0.03367 Eigenvalues --- 0.03749 0.04852 0.04921 0.05187 0.05380 Eigenvalues --- 0.05388 0.05742 0.05790 0.06221 0.06224 Eigenvalues --- 0.06552 0.06707 0.07223 0.08231 0.08523 Eigenvalues --- 0.08561 0.09339 0.10204 0.10848 0.13562 Eigenvalues --- 0.15800 0.15983 0.16000 0.16004 0.16019 Eigenvalues --- 0.16688 0.18832 0.20499 0.20936 0.21509 Eigenvalues --- 0.22487 0.23006 0.23931 0.24687 0.24946 Eigenvalues --- 0.24963 0.24989 0.25222 0.26901 0.27626 Eigenvalues --- 0.28288 0.28404 0.28590 0.31563 0.32062 Eigenvalues --- 0.32450 0.33731 0.33794 0.33812 0.33828 Eigenvalues --- 0.33833 0.33884 0.33896 0.33935 0.33985 Eigenvalues --- 0.34386 0.34611 0.35461 0.36001 0.36174 Eigenvalues --- 0.37080 0.37353 0.39833 0.42183 0.43250 Eigenvalues --- 0.46955 0.48772 0.49155 0.49395 0.51130 Eigenvalues --- 0.57118 0.63595 0.75534 0.79134 0.88747 Eigenvalues --- 0.93162 RFO step: Lambda=-1.56918609D-03 EMin= 2.48665546D-03 Quartic linear search produced a step of -0.22150. Iteration 1 RMS(Cart)= 0.03308817 RMS(Int)= 0.00044789 Iteration 2 RMS(Cart)= 0.00067928 RMS(Int)= 0.00008669 Iteration 3 RMS(Cart)= 0.00000021 RMS(Int)= 0.00008669 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86706 0.00061 0.00102 0.00090 0.00192 2.86898 R2 2.63266 0.00416 0.00127 0.00483 0.00610 2.63876 R3 2.80837 -0.00234 -0.00189 -0.00190 -0.00379 2.80458 R4 2.02263 0.00331 0.00338 0.00219 0.00557 2.02820 R5 2.04247 0.00157 0.00150 0.00136 0.00286 2.04533 R6 2.05055 0.00083 0.00109 0.00058 0.00167 2.05222 R7 2.03596 0.00076 0.00016 0.00055 0.00071 2.03667 R8 1.78245 0.00589 0.00372 0.00321 0.00693 1.78938 R9 2.24073 0.00726 0.00366 0.00217 0.00584 2.24657 R10 2.60396 -0.00078 -0.00223 -0.00020 -0.00243 2.60153 R11 2.77120 0.00055 -0.00026 -0.00017 -0.00046 2.77074 R12 2.56764 0.00461 0.00179 0.00267 0.00449 2.57213 R13 1.88772 -0.00025 -0.00024 -0.00028 -0.00052 1.88720 R14 2.25538 0.00834 0.00272 0.00332 0.00604 2.26142 R15 2.61818 -0.00034 -0.00147 0.00162 0.00018 2.61836 R16 2.63632 0.00314 0.00596 0.00179 0.00775 2.64407 R17 2.53224 0.00962 0.00382 0.00291 0.00670 2.53894 R18 2.87572 0.00551 0.00613 0.00232 0.00845 2.88417 R19 3.27575 0.00232 0.00194 0.00050 0.00244 3.27819 R20 2.04105 -0.00201 -0.00083 -0.00059 -0.00142 2.03963 R21 2.01486 0.00355 0.00223 0.00297 0.00520 2.02006 R22 2.71907 0.00316 0.00212 0.00201 0.00412 2.72319 R23 2.75750 -0.00037 0.00042 -0.00303 -0.00250 2.75500 R24 2.61157 0.00415 0.00134 0.00500 0.00645 2.61801 R25 2.88115 0.00221 0.00059 0.00408 0.00466 2.88581 R26 2.04056 0.00132 0.00105 0.00223 0.00328 2.04384 R27 2.05628 0.00021 0.00082 -0.00038 0.00045 2.05673 R28 2.88679 0.00016 -0.00032 0.00026 -0.00020 2.88659 R29 2.04919 0.00065 0.00094 -0.00012 0.00082 2.05001 R30 2.04261 0.00121 0.00147 0.00100 0.00247 2.04508 R31 2.85946 0.00059 -0.00068 0.00051 -0.00021 2.85925 R32 2.03670 0.00202 0.00143 0.00238 0.00381 2.04052 R33 2.05267 0.00056 0.00121 -0.00052 0.00069 2.05336 R34 2.37137 0.00505 0.00167 0.00189 0.00356 2.37494 R35 1.89543 0.00019 -0.00081 0.00029 -0.00052 1.89491 A1 1.98379 -0.00004 0.00056 -0.00231 -0.00176 1.98203 A2 1.97568 -0.00088 -0.00241 -0.00057 -0.00298 1.97269 A3 1.90163 -0.00041 -0.00115 -0.00383 -0.00497 1.89666 A4 1.89212 -0.00011 0.00150 -0.00080 0.00069 1.89281 A5 1.88977 0.00106 0.00174 0.00682 0.00856 1.89833 A6 1.81130 0.00052 -0.00016 0.00142 0.00126 1.81257 A7 1.90802 0.00042 0.00066 -0.00019 0.00046 1.90848 A8 1.91066 -0.00059 0.00030 -0.00264 -0.00234 1.90832 A9 1.95644 -0.00049 -0.00201 0.00097 -0.00104 1.95540 A10 1.88024 0.00020 0.00070 0.00061 0.00131 1.88155 A11 1.91576 -0.00001 0.00015 -0.00050 -0.00035 1.91541 A12 1.89112 0.00048 0.00031 0.00174 0.00205 1.89317 A13 1.89177 0.00161 -0.00055 0.00593 0.00539 1.89716 A14 2.11971 -0.00119 -0.00113 -0.00201 -0.00316 2.11654 A15 2.21317 -0.00230 -0.00425 -0.00216 -0.00642 2.20675 A16 1.94989 0.00350 0.00534 0.00450 0.00983 1.95972 A17 2.24107 -0.00133 -0.00434 -0.00259 -0.00686 2.23420 A18 2.03610 0.00059 0.00248 -0.00027 0.00218 2.03827 A19 2.00601 0.00074 0.00185 0.00287 0.00469 2.01070 A20 2.09791 0.00445 0.00526 0.00337 0.00832 2.10622 A21 2.02513 0.00020 0.00236 -0.00068 0.00151 2.02664 A22 2.15991 -0.00461 -0.00760 -0.00192 -0.00983 2.15008 A23 1.95735 0.00128 -0.00534 0.00741 0.00204 1.95939 A24 2.21380 -0.00315 0.00437 -0.00874 -0.00439 2.20941 A25 2.11198 0.00187 0.00097 0.00117 0.00217 2.11416 A26 2.09438 -0.00195 -0.00328 -0.00048 -0.00376 2.09063 A27 2.11552 -0.00940 -0.00119 -0.01218 -0.01334 2.10219 A28 2.07323 0.01135 0.00431 0.01280 0.01714 2.09037 A29 2.13941 -0.00232 -0.00130 -0.00264 -0.00398 2.13543 A30 1.98938 -0.00474 -0.00350 -0.00161 -0.00509 1.98429 A31 2.15416 0.00706 0.00477 0.00435 0.00914 2.16330 A32 1.85611 0.00329 0.00332 0.00997 0.01327 1.86938 A33 1.90191 -0.00033 0.00086 -0.00191 -0.00106 1.90084 A34 1.97683 -0.00084 0.00311 -0.00651 -0.00340 1.97343 A35 1.87507 -0.00048 -0.00094 0.00074 -0.00018 1.87490 A36 1.93749 -0.00174 -0.00457 -0.00442 -0.00895 1.92854 A37 1.91294 0.00017 -0.00185 0.00258 0.00075 1.91369 A38 2.11082 0.00039 0.00403 -0.01512 -0.01160 2.09922 A39 2.14731 0.00143 0.00320 -0.00970 -0.00707 2.14024 A40 1.95682 -0.00201 -0.00244 -0.00273 -0.00553 1.95129 A41 1.78672 0.00047 0.00043 0.00518 0.00566 1.79238 A42 1.93799 -0.00048 0.00103 -0.00398 -0.00292 1.93507 A43 1.93893 -0.00002 -0.00072 0.00028 -0.00049 1.93844 A44 1.97709 0.00019 -0.00026 -0.00379 -0.00406 1.97302 A45 1.94430 -0.00040 -0.00135 0.00234 0.00098 1.94528 A46 1.87923 0.00022 0.00079 0.00005 0.00085 1.88008 A47 1.77486 0.00136 -0.00144 0.01217 0.01048 1.78534 A48 1.91363 -0.00060 -0.00063 0.00262 0.00204 1.91567 A49 1.96913 -0.00007 0.00157 -0.00741 -0.00577 1.96336 A50 1.92726 -0.00010 -0.00000 0.00127 0.00127 1.92853 A51 1.98986 -0.00093 -0.00010 -0.00731 -0.00729 1.98257 A52 1.88716 0.00035 0.00048 -0.00055 -0.00011 1.88705 A53 1.81595 -0.00148 -0.00174 0.00313 0.00109 1.81704 A54 2.01838 0.00007 0.00043 -0.00677 -0.00625 2.01213 A55 1.92802 0.00019 -0.00205 0.00452 0.00252 1.93053 A56 1.93907 0.00112 0.00255 -0.00213 0.00049 1.93956 A57 1.87491 0.00035 -0.00014 0.00416 0.00413 1.87904 A58 1.88278 -0.00021 0.00084 -0.00194 -0.00115 1.88163 A59 1.85922 0.00197 0.00119 0.00916 0.01031 1.86953 A60 2.28320 -0.00209 -0.00164 -0.00636 -0.00799 2.27522 A61 2.14076 0.00013 0.00045 -0.00281 -0.00235 2.13841 A62 1.95729 0.00461 0.00647 0.00915 0.01562 1.97291 D1 3.09225 0.00072 0.00185 -0.00000 0.00184 3.09409 D2 1.03639 0.00057 0.00044 0.00092 0.00136 1.03775 D3 -1.06261 0.00068 0.00115 -0.00012 0.00103 -1.06158 D4 -1.02221 -0.00019 0.00236 -0.00345 -0.00109 -1.02330 D5 -3.07807 -0.00034 0.00096 -0.00253 -0.00157 -3.07964 D6 1.10611 -0.00023 0.00167 -0.00357 -0.00190 1.10421 D7 0.98335 -0.00032 0.00008 -0.00444 -0.00436 0.97899 D8 -1.07251 -0.00047 -0.00132 -0.00353 -0.00485 -1.07735 D9 3.11167 -0.00035 -0.00061 -0.00456 -0.00517 3.10650 D10 -1.05643 -0.00065 0.00193 -0.01537 -0.01343 -1.06986 D11 3.01356 0.00063 0.00351 -0.01226 -0.00874 3.00482 D12 1.05912 -0.00044 0.00208 -0.01688 -0.01481 1.04431 D13 1.61405 0.00024 0.01298 0.00598 0.01893 1.63299 D14 -1.53800 0.00016 0.01801 -0.01179 0.00624 -1.53176 D15 -2.45126 -0.00055 0.01310 0.00189 0.01496 -2.43630 D16 0.67987 -0.00064 0.01813 -0.01588 0.00227 0.68214 D17 -0.44488 0.00086 0.01565 0.00999 0.02561 -0.41927 D18 2.68625 0.00077 0.02068 -0.00778 0.01292 2.69917 D19 -3.12152 0.00006 -0.00199 0.00615 0.00418 -3.11734 D20 0.01577 0.00007 -0.00218 0.00647 0.00430 0.02007 D21 0.04902 -0.00029 -0.00067 -0.00539 -0.00611 0.04291 D22 -3.09688 -0.00028 -0.00086 -0.00507 -0.00599 -3.10287 D23 3.13708 -0.00046 0.00012 -0.01581 -0.01569 3.12139 D24 -0.02664 -0.00022 -0.00110 -0.01118 -0.01228 -0.03892 D25 -0.03535 -0.00006 -0.00119 -0.00351 -0.00467 -0.04002 D26 3.08412 0.00018 -0.00241 0.00112 -0.00126 3.08286 D27 -3.11032 -0.00095 -0.00508 -0.02265 -0.02781 -3.13814 D28 0.00871 0.00065 0.00326 0.01443 0.01769 0.02641 D29 0.03551 -0.00096 -0.00490 -0.02296 -0.02793 0.00759 D30 -3.12863 0.00064 0.00345 0.01412 0.01758 -3.11105 D31 3.04705 -0.00077 0.00070 -0.03144 -0.03065 3.01640 D32 -0.08477 -0.00065 -0.00396 -0.01478 -0.01870 -0.10347 D33 -0.11799 0.00103 0.00926 0.00718 0.01638 -0.10160 D34 3.03338 0.00115 0.00459 0.02385 0.02833 3.06171 D35 -3.03241 0.00034 -0.00331 0.02649 0.02313 -3.00928 D36 0.11970 0.00005 0.00380 0.00975 0.01369 0.13338 D37 0.09788 0.00024 0.00216 0.00732 0.00941 0.10728 D38 -3.03321 -0.00005 0.00927 -0.00943 -0.00004 -3.03325 D39 -0.03362 0.00013 0.00043 0.00233 0.00279 -0.03083 D40 3.13220 0.00003 0.00191 -0.00266 -0.00077 3.13143 D41 3.09772 0.00029 -0.00665 0.01852 0.01199 3.10971 D42 -0.01965 0.00019 -0.00517 0.01354 0.00843 -0.01122 D43 -2.78155 -0.00040 -0.01603 -0.00957 -0.02560 -2.80715 D44 -0.76517 0.00060 -0.01494 -0.00445 -0.01936 -0.78452 D45 1.36892 0.00002 -0.01457 -0.00694 -0.02147 1.34746 D46 0.37042 -0.00061 -0.00882 -0.02605 -0.03492 0.33550 D47 2.38681 0.00039 -0.00773 -0.02092 -0.02868 2.35813 D48 -1.76228 -0.00020 -0.00736 -0.02341 -0.03079 -1.79307 D49 1.13033 0.00171 -0.00363 0.03288 0.02926 1.15960 D50 -2.43055 0.00067 0.01153 -0.04868 -0.03714 -2.46769 D51 -0.95634 -0.00071 -0.00673 0.02766 0.02090 -0.93545 D52 1.76596 -0.00175 0.00843 -0.05390 -0.04550 1.72045 D53 -3.02492 0.00084 -0.00174 0.02783 0.02611 -2.99881 D54 -0.30262 -0.00020 0.01342 -0.05373 -0.04029 -0.34291 D55 -3.06679 -0.00075 0.01402 -0.07642 -0.06233 -3.12912 D56 -0.95163 -0.00048 0.01448 -0.07981 -0.06526 -1.01689 D57 1.13926 -0.00054 0.01568 -0.08220 -0.06645 1.07281 D58 0.45212 -0.00051 -0.00049 -0.00184 -0.00240 0.44971 D59 2.56727 -0.00025 -0.00004 -0.00523 -0.00533 2.56194 D60 -1.62502 -0.00031 0.00116 -0.00762 -0.00652 -1.63154 D61 -2.84046 0.00040 -0.01018 0.04966 0.03947 -2.80098 D62 0.30194 0.00058 -0.01178 0.05740 0.04561 0.34755 D63 -0.08533 -0.00013 0.00484 -0.02804 -0.02321 -0.10854 D64 3.05707 0.00005 0.00323 -0.02030 -0.01707 3.03999 D65 -0.61252 -0.00035 -0.00441 0.02724 0.02289 -0.58963 D66 1.42756 -0.00002 -0.00539 0.03592 0.03055 1.45811 D67 -2.75127 -0.00005 -0.00418 0.03214 0.02802 -2.72325 D68 -2.70054 -0.00016 -0.00578 0.03067 0.02491 -2.67564 D69 -0.66047 0.00017 -0.00677 0.03935 0.03257 -0.62790 D70 1.44389 0.00014 -0.00555 0.03557 0.03004 1.47393 D71 1.46084 -0.00029 -0.00562 0.03160 0.02601 1.48685 D72 -2.78227 0.00004 -0.00661 0.04028 0.03367 -2.74860 D73 -0.67792 0.00001 -0.00539 0.03650 0.03114 -0.64677 D74 0.57304 -0.00070 0.00637 -0.04555 -0.03914 0.53390 D75 2.70450 -0.00033 0.00856 -0.05001 -0.04145 2.66305 D76 -1.43435 -0.00041 0.00834 -0.05406 -0.04565 -1.48000 D77 -1.45711 -0.00068 0.00784 -0.05538 -0.04751 -1.50462 D78 0.67435 -0.00030 0.01003 -0.05984 -0.04982 0.62454 D79 2.81869 -0.00039 0.00981 -0.06389 -0.05402 2.76467 D80 2.69749 -0.00038 0.00728 -0.05039 -0.04312 2.65438 D81 -1.45423 -0.00001 0.00947 -0.05485 -0.04543 -1.49966 D82 0.69011 -0.00009 0.00925 -0.05889 -0.04963 0.64047 D83 -0.31864 0.00052 -0.00709 0.04566 0.03862 -0.28002 D84 2.82223 0.00036 -0.00563 0.03870 0.03307 2.85530 D85 -2.50170 0.00075 -0.00794 0.05311 0.04523 -2.45647 D86 0.63917 0.00059 -0.00649 0.04615 0.03968 0.67885 D87 1.72600 0.00017 -0.01031 0.05414 0.04385 1.76985 D88 -1.41632 0.00001 -0.00885 0.04719 0.03830 -1.37802 D89 -0.01787 -0.00002 0.00004 -0.00125 -0.00120 -0.01907 D90 3.12464 0.00019 -0.00179 0.00755 0.00576 3.13040 Item Value Threshold Converged? Maximum Force 0.011350 0.000450 NO RMS Force 0.002200 0.000300 NO Maximum Displacement 0.145418 0.001800 NO RMS Displacement 0.032927 0.001200 NO Predicted change in Energy=-1.088349D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.603937 -5.042729 2.652413 2 6 0 6.237792 -5.090333 4.125031 3 8 0 6.869308 -6.298457 2.102342 4 8 0 3.346897 -2.184956 -0.697242 5 6 0 3.960970 -2.867355 0.058119 6 7 0 5.029089 -2.366011 0.767342 7 6 0 5.838204 -3.024749 1.641429 8 8 0 6.734288 -2.454361 2.192573 9 7 0 5.574082 -4.373213 1.819491 10 6 0 4.458641 -4.976154 1.227920 11 6 0 3.694621 -4.274050 0.374430 12 1 0 7.472499 -4.423424 2.534170 13 1 0 6.093905 -4.082149 4.491529 14 1 0 7.055996 -5.533576 4.684893 15 1 0 5.248540 -1.401670 0.628714 16 6 0 4.103042 -6.425757 1.546667 17 17 0 2.298642 -4.917140 -0.429937 18 1 0 5.348195 -5.672482 4.301905 19 1 0 7.608620 -6.678443 2.555827 20 1 0 3.454514 -6.774476 0.757522 21 1 0 4.993516 -7.016227 1.513582 22 7 0 3.465619 -6.581802 2.829621 23 6 0 2.140801 -6.020761 3.065236 24 6 0 1.870851 -6.397190 4.520391 25 6 0 2.573630 -7.747919 4.642638 26 6 0 3.727393 -7.652888 3.668407 27 1 0 2.139298 -4.952373 2.897004 28 1 0 1.404362 -6.462443 2.396556 29 1 0 2.331143 -5.668511 5.179169 30 1 0 0.813698 -6.436739 4.748526 31 1 0 2.920788 -7.999191 5.633749 32 1 0 1.922542 -8.549782 4.305330 33 7 0 4.704157 -8.443118 3.698728 34 1 0 5.381422 -8.257574 2.982921 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518200 0.000000 3 O 1.396371 2.439190 0.000000 4 O 5.476803 6.328729 6.096388 0.000000 5 C 4.295101 5.163848 4.940622 1.188833 0.000000 6 N 3.632968 4.489651 4.542330 2.237758 1.376671 7 C 2.383418 3.254933 3.463059 3.518700 2.460823 8 O 2.632128 3.305942 3.847525 4.460721 3.523883 9 N 1.484120 2.504054 2.337558 4.010333 2.823504 10 C 2.576025 3.401715 2.885206 3.568335 2.462346 11 C 3.774148 4.604460 4.142770 2.373543 1.466215 12 H 1.073275 2.121345 2.016448 5.698540 4.569794 13 H 2.136631 1.082340 3.349849 6.169987 5.067570 14 H 2.139220 1.085987 2.699901 7.344253 6.172112 15 H 4.380613 5.177749 5.364419 2.447027 2.032645 16 C 3.064297 3.603953 2.824395 4.857085 3.859816 17 Cl 5.296435 6.024503 5.404763 2.938558 2.683869 18 H 2.166634 1.077760 2.746581 6.415568 5.272841 19 H 1.922050 2.619860 0.946900 6.995440 5.836805 20 H 4.063056 4.682210 3.700805 4.815767 4.001407 21 H 2.790177 3.475192 2.092947 5.562398 4.516377 22 N 3.499884 3.404044 3.492037 5.637829 4.660871 23 C 4.587652 4.332921 4.833535 5.506752 4.722260 24 C 5.265549 4.575408 5.553492 6.866245 6.061370 25 C 5.246181 4.555959 5.196815 7.749763 6.838306 26 C 4.014932 3.616255 3.762801 7.007279 5.999172 27 H 4.472247 4.280740 4.981609 4.694199 3.965484 28 H 5.395983 5.313413 5.475317 5.625116 4.992915 29 H 5.003285 4.087469 5.518934 6.906455 6.060360 30 H 6.313780 5.623375 6.609979 7.358746 6.681747 31 H 5.585214 4.662639 5.563644 8.606297 7.648880 32 H 6.078405 5.533686 5.864479 8.219825 7.381326 33 N 4.033185 3.711460 3.440334 7.767323 6.700410 34 H 3.455286 3.474075 2.612922 7.386446 6.294967 6 7 8 9 10 6 N 0.000000 7 C 1.361114 0.000000 8 O 2.224138 1.196691 0.000000 9 N 2.330857 1.385576 2.273161 0.000000 10 C 2.711160 2.425317 3.531086 1.399179 0.000000 11 C 2.361313 2.785855 3.982021 2.372849 1.343549 12 H 3.650326 2.328991 2.130459 2.029106 3.330936 13 H 4.236570 3.050663 2.888768 2.737648 3.758255 14 H 5.430380 4.127942 3.974509 3.428270 4.359774 15 H 0.998664 2.001919 2.400262 3.217763 3.709437 16 C 4.236325 3.819243 4.807560 2.539946 1.526236 17 Cl 3.923912 4.516658 5.711199 4.010523 2.723522 18 H 4.850538 3.785332 4.089847 2.810962 3.274991 19 H 5.333829 4.161727 4.328889 3.161585 3.818834 20 H 4.681234 4.530311 5.610676 3.374376 2.112701 21 H 4.709846 4.081879 4.929700 2.723263 2.128283 22 N 4.946750 4.437746 5.303377 3.216185 2.475812 23 C 5.194201 4.967304 5.880551 4.006709 3.136769 24 C 6.349035 5.949930 6.679645 5.010515 4.422258 25 C 7.071925 6.478660 7.164890 5.325552 4.785002 26 C 6.169413 5.475750 6.184189 4.193450 3.695349 27 H 4.424435 4.355928 5.277331 3.646122 2.857580 28 H 5.707341 5.660999 6.671915 4.699410 3.592129 29 H 6.135930 5.639553 6.215963 4.845811 4.540702 30 H 7.084502 6.822125 7.579289 5.958073 5.273859 31 H 7.736896 7.013915 7.558414 5.893746 5.560132 32 H 7.772195 7.277002 8.048031 6.079216 5.354724 33 N 6.754986 5.905697 6.500396 4.566446 4.264388 34 H 6.304240 5.421319 6.011005 4.059427 3.833962 11 12 13 14 15 11 C 0.000000 12 H 4.354211 0.000000 13 H 4.769056 2.418314 0.000000 14 H 5.609398 2.455916 1.752042 0.000000 15 H 3.275651 4.208058 4.777127 6.065652 0.000000 16 C 2.484107 4.041997 4.257728 4.400499 5.234142 17 Cl 1.734742 5.983183 6.270730 7.012410 4.709689 18 H 4.484973 3.032772 1.766693 1.755722 5.634013 19 H 5.085174 2.259227 3.575199 2.479725 6.093281 20 H 2.540973 4.982783 5.306394 5.471266 5.665877 21 H 3.241038 3.729555 4.322943 4.063163 5.689576 22 N 3.377296 4.560809 3.989748 4.175119 5.903945 23 C 3.564519 5.591111 4.628127 5.198055 6.077062 24 C 5.002285 6.262530 4.816059 5.259146 7.176987 25 C 5.616226 6.284649 5.084588 4.999670 7.971298 26 C 4.718888 5.073633 4.362120 4.074841 7.115571 27 H 3.040154 5.371636 4.351864 5.263864 5.236412 28 H 3.758104 6.403033 5.660965 6.167678 6.596544 29 H 5.185471 5.914372 4.140987 4.752552 6.886492 30 H 5.666539 7.300441 5.787117 6.307617 7.873537 31 H 6.491219 6.565940 5.168806 4.907090 8.602097 32 H 6.072407 7.139038 6.115119 5.966064 8.699153 33 N 5.426901 5.017754 4.645211 3.868992 7.700865 34 H 5.051533 4.390294 4.496410 3.622302 7.250060 16 17 18 19 20 16 C 0.000000 17 Cl 3.072254 0.000000 18 H 3.115953 5.679846 0.000000 19 H 3.656684 6.341360 3.028245 0.000000 20 H 1.079325 2.489135 4.166902 4.527662 0.000000 21 H 1.068968 3.930111 3.115476 2.835339 1.731646 22 N 1.441052 3.841569 2.557064 4.153163 2.081068 23 C 2.514053 3.668668 3.455145 5.530741 2.760339 24 C 3.718404 5.184525 3.558771 6.071294 4.099941 25 C 3.697601 5.815492 3.481629 5.554249 4.100936 26 C 2.479666 5.130504 2.636347 4.153469 3.052756 27 H 2.801886 3.330941 3.576216 5.745364 3.102779 28 H 2.829582 3.343166 4.450642 6.210060 2.643278 29 H 4.111948 5.659300 3.142007 5.979435 4.694260 30 H 4.590404 5.597385 4.620088 7.144040 4.797508 31 H 4.536260 6.830401 3.616584 5.761402 5.055925 32 H 4.108076 5.979991 4.473696 6.236518 4.252716 33 N 3.010391 5.938425 2.907753 3.585556 3.605089 34 H 2.655680 5.684156 2.902330 2.763418 3.296203 21 22 23 24 25 21 H 0.000000 22 N 2.062802 0.000000 23 C 3.396552 1.457883 0.000000 24 C 4.378943 2.331537 1.527104 0.000000 25 C 4.022712 2.332917 2.378784 1.527518 0.000000 26 C 2.579084 1.385392 2.354767 2.397791 1.513051 27 H 3.784166 2.102072 1.081554 2.189736 3.324298 28 H 3.737425 2.109638 1.088374 2.175441 2.839810 29 H 4.726636 2.764328 2.151516 1.084818 2.161157 30 H 5.317099 3.276571 2.183507 1.082212 2.197218 31 H 4.715739 3.188881 3.334639 2.215477 1.079794 32 H 4.424537 2.903747 2.825140 2.163926 1.086590 33 N 2.625759 2.398712 3.583283 3.590066 2.431750 34 H 1.962236 2.549905 3.938494 4.260158 3.301227 26 27 28 29 30 26 C 0.000000 27 H 3.226436 0.000000 28 H 2.903659 1.752396 0.000000 29 H 2.858263 2.399569 3.038451 0.000000 30 H 3.336958 2.718214 2.425140 1.754499 0.000000 31 H 2.152465 4.169364 3.891087 2.446710 2.768520 32 H 2.113664 3.869330 2.875571 3.038465 2.427119 33 N 1.256762 4.405288 4.062926 3.939713 4.501477 34 H 1.889801 4.630670 4.402650 4.564094 5.224643 31 32 33 34 31 H 0.000000 32 H 1.750526 0.000000 33 N 2.668666 2.848986 0.000000 34 H 3.626068 3.714566 1.002744 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.056150 2.394475 -0.335400 2 6 0 0.964466 2.616189 0.766469 3 8 0 0.509916 2.288462 -1.607478 4 8 0 -3.778391 -1.557068 0.389586 5 6 0 -2.889771 -0.780643 0.245212 6 7 0 -3.007551 0.525908 0.662674 7 6 0 -2.095535 1.529266 0.543806 8 8 0 -2.335794 2.625224 0.960006 9 7 0 -0.913262 1.205541 -0.102146 10 6 0 -0.636474 -0.110714 -0.487587 11 6 0 -1.576210 -1.060023 -0.343251 12 1 0 -0.748303 3.214741 -0.332741 13 1 0 0.451227 2.736040 1.711816 14 1 0 1.514130 3.531666 0.568633 15 1 0 -3.865280 0.781143 1.105940 16 6 0 0.726351 -0.475797 -1.069669 17 17 0 -1.354745 -2.719431 -0.797838 18 1 0 1.668631 1.803154 0.834972 19 1 0 0.958146 3.097915 -1.808713 20 1 0 0.606994 -1.411049 -1.595027 21 1 0 1.004385 0.263013 -1.790467 22 7 0 1.756535 -0.587468 -0.068228 23 6 0 1.701195 -1.650589 0.927832 24 6 0 2.944819 -1.383752 1.772961 25 6 0 3.930388 -0.842037 0.739272 26 6 0 3.052734 -0.145440 -0.277487 27 1 0 0.783102 -1.597836 1.497114 28 1 0 1.742900 -2.630748 0.456550 29 1 0 2.725214 -0.628897 2.520488 30 1 0 3.296545 -2.270757 2.283542 31 1 0 4.683759 -0.172574 1.126837 32 1 0 4.439315 -1.657162 0.232083 33 7 0 3.507901 0.674624 -1.114010 34 1 0 2.803815 1.042901 -1.725671 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4671810 0.2979773 0.2167663 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1706.2994786357 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.56D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999990 0.000616 -0.002780 0.003454 Ang= 0.51 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16000792 A.U. after 12 cycles NFock= 12 Conv=0.76D-08 -V/T= 2.0011 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 -0.000486903 0.000661874 -0.000372659 2 6 -0.000236131 -0.000407820 0.000287180 3 8 -0.001578026 -0.000613773 -0.000969798 4 8 -0.001264074 0.001013750 -0.001204282 5 6 0.002295343 -0.001114156 0.001786996 6 7 -0.002091635 0.001214371 -0.000507806 7 6 0.001175019 -0.001669982 -0.003551573 8 8 0.000630736 0.000808427 0.002366315 9 7 0.001590966 0.000386046 0.002572968 10 6 -0.000848279 -0.000704101 -0.000736558 11 6 -0.000744552 0.000548322 -0.000734278 12 1 0.000472136 0.000383377 0.000245760 13 1 -0.000139350 0.000492061 0.000215251 14 1 0.000278030 -0.000027067 0.000009511 15 1 -0.000066209 -0.000019603 0.000030947 16 6 -0.000354153 -0.000387726 -0.001908353 17 17 -0.000588054 0.000391676 -0.000377384 18 1 0.000128848 0.000318696 -0.000064256 19 1 0.001507751 -0.000419910 0.000443880 20 1 -0.000031937 -0.000539134 0.000822247 21 1 0.000843844 -0.000464978 -0.000146288 22 7 0.001462615 0.003092342 0.000880054 23 6 -0.000285928 -0.000401889 -0.000563219 24 6 -0.000268963 0.000140554 0.000150608 25 6 -0.000468596 -0.000947160 -0.000539274 26 6 -0.001661869 -0.001972158 0.001718982 27 1 0.000032897 0.000331770 0.000043046 28 1 -0.000052471 -0.000060605 -0.000180264 29 1 -0.000053940 0.000125234 0.000155109 30 1 -0.000265598 -0.000022644 0.000031452 31 1 0.000233769 0.000318364 0.000548857 32 1 0.000171755 -0.000313611 0.000383340 33 7 0.000402165 0.000294567 -0.001024385 34 1 0.000260790 -0.000435115 0.000187876 ------------------------------------------------------------------- Cartesian Forces: Max 0.003551573 RMS 0.000977798 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002437379 RMS 0.000548758 Search for a local minimum. Step number 8 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 6 7 8 DE= -1.22D-03 DEPred=-1.09D-03 R= 1.12D+00 TightC=F SS= 1.41D+00 RLast= 2.76D-01 DXNew= 1.2000D+00 8.2897D-01 Trust test= 1.12D+00 RLast= 2.76D-01 DXMaxT set to 8.29D-01 ITU= 1 1 -1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00249 0.00290 0.00435 0.00837 0.00918 Eigenvalues --- 0.00967 0.01039 0.01093 0.01297 0.01402 Eigenvalues --- 0.01526 0.01799 0.02000 0.02155 0.02313 Eigenvalues --- 0.02406 0.02456 0.02867 0.03220 0.03369 Eigenvalues --- 0.03720 0.04877 0.04927 0.05232 0.05360 Eigenvalues --- 0.05391 0.05752 0.05795 0.06160 0.06205 Eigenvalues --- 0.06644 0.06683 0.07251 0.08251 0.08476 Eigenvalues --- 0.08556 0.09365 0.10134 0.10885 0.13415 Eigenvalues --- 0.15752 0.15984 0.16000 0.16000 0.16019 Eigenvalues --- 0.16599 0.18798 0.20273 0.20785 0.21249 Eigenvalues --- 0.22295 0.22722 0.23853 0.24686 0.24922 Eigenvalues --- 0.24963 0.24982 0.25143 0.26875 0.27663 Eigenvalues --- 0.28097 0.28371 0.28554 0.31535 0.32072 Eigenvalues --- 0.32289 0.33504 0.33746 0.33810 0.33816 Eigenvalues --- 0.33831 0.33841 0.33899 0.33905 0.33983 Eigenvalues --- 0.34378 0.34589 0.35008 0.35977 0.36215 Eigenvalues --- 0.37221 0.37358 0.39029 0.41670 0.42470 Eigenvalues --- 0.46850 0.48769 0.49155 0.49368 0.50516 Eigenvalues --- 0.57017 0.61937 0.75730 0.81656 0.88021 Eigenvalues --- 0.91817 RFO step: Lambda=-8.15446325D-04 EMin= 2.48658098D-03 Quartic linear search produced a step of 0.23671. Iteration 1 RMS(Cart)= 0.03580720 RMS(Int)= 0.00070435 Iteration 2 RMS(Cart)= 0.00106579 RMS(Int)= 0.00026023 Iteration 3 RMS(Cart)= 0.00000059 RMS(Int)= 0.00026023 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86898 0.00041 0.00045 0.00214 0.00260 2.87158 R2 2.63876 0.00112 0.00144 0.00383 0.00528 2.64404 R3 2.80458 -0.00033 -0.00090 -0.00149 -0.00239 2.80219 R4 2.02820 0.00058 0.00132 0.00229 0.00361 2.03181 R5 2.04533 0.00055 0.00068 0.00211 0.00279 2.04811 R6 2.05222 0.00023 0.00039 0.00105 0.00144 2.05366 R7 2.03667 -0.00029 0.00017 -0.00009 0.00008 2.03675 R8 1.78938 0.00156 0.00164 0.00418 0.00582 1.79520 R9 2.24657 0.00200 0.00138 0.00356 0.00494 2.25151 R10 2.60153 -0.00076 -0.00058 -0.00225 -0.00282 2.59871 R11 2.77074 0.00014 -0.00011 -0.00040 -0.00059 2.77015 R12 2.57213 0.00130 0.00106 0.00300 0.00415 2.57628 R13 1.88720 -0.00004 -0.00012 -0.00024 -0.00037 1.88683 R14 2.26142 0.00195 0.00143 0.00336 0.00479 2.26621 R15 2.61836 0.00034 0.00004 0.00152 0.00165 2.62001 R16 2.64407 0.00244 0.00183 0.00811 0.00995 2.65402 R17 2.53894 0.00180 0.00159 0.00273 0.00423 2.54317 R18 2.88417 0.00131 0.00200 0.00317 0.00517 2.88934 R19 3.27819 0.00050 0.00058 0.00114 0.00172 3.27990 R20 2.03963 -0.00041 -0.00034 -0.00046 -0.00080 2.03883 R21 2.02006 0.00096 0.00123 0.00330 0.00453 2.02459 R22 2.72319 0.00180 0.00098 0.00564 0.00662 2.72981 R23 2.75500 0.00038 -0.00059 0.00001 -0.00025 2.75475 R24 2.61801 0.00216 0.00153 0.00748 0.00927 2.62728 R25 2.88581 0.00077 0.00110 0.00295 0.00402 2.88983 R26 2.04384 0.00032 0.00078 0.00194 0.00271 2.04655 R27 2.05673 0.00017 0.00011 0.00058 0.00069 2.05742 R28 2.88659 0.00076 -0.00005 0.00230 0.00189 2.88848 R29 2.05001 0.00016 0.00019 0.00038 0.00057 2.05058 R30 2.04508 0.00027 0.00058 0.00132 0.00191 2.04699 R31 2.85925 0.00029 -0.00005 0.00046 0.00023 2.85948 R32 2.04052 0.00050 0.00090 0.00228 0.00318 2.04370 R33 2.05336 0.00001 0.00016 -0.00021 -0.00005 2.05331 R34 2.37494 0.00058 0.00084 0.00102 0.00187 2.37680 R35 1.89491 -0.00004 -0.00012 -0.00033 -0.00046 1.89445 A1 1.98203 0.00029 -0.00042 0.00016 -0.00025 1.98177 A2 1.97269 0.00022 -0.00071 0.00089 0.00019 1.97288 A3 1.89666 -0.00037 -0.00118 -0.00318 -0.00436 1.89230 A4 1.89281 -0.00036 0.00016 -0.00099 -0.00082 1.89198 A5 1.89833 0.00014 0.00203 0.00204 0.00406 1.90239 A6 1.81257 0.00006 0.00030 0.00125 0.00154 1.81411 A7 1.90848 0.00006 0.00011 -0.00025 -0.00014 1.90834 A8 1.90832 -0.00019 -0.00055 -0.00164 -0.00220 1.90612 A9 1.95540 0.00004 -0.00025 0.00036 0.00011 1.95551 A10 1.88155 0.00004 0.00031 0.00024 0.00054 1.88209 A11 1.91541 -0.00010 -0.00008 -0.00129 -0.00137 1.91405 A12 1.89317 0.00015 0.00049 0.00260 0.00308 1.89625 A13 1.89716 -0.00002 0.00128 0.00015 0.00143 1.89858 A14 2.11654 -0.00016 -0.00075 -0.00131 -0.00211 2.11444 A15 2.20675 -0.00068 -0.00152 -0.00416 -0.00573 2.20102 A16 1.95972 0.00084 0.00233 0.00514 0.00744 1.96716 A17 2.23420 -0.00022 -0.00162 -0.00330 -0.00473 2.22947 A18 2.03827 0.00008 0.00052 0.00072 0.00114 2.03941 A19 2.01070 0.00014 0.00111 0.00258 0.00359 2.01429 A20 2.10622 0.00046 0.00197 0.00216 0.00302 2.10925 A21 2.02664 0.00039 0.00036 0.00297 0.00267 2.02931 A22 2.15008 -0.00083 -0.00233 -0.00331 -0.00672 2.14336 A23 1.95939 -0.00032 0.00048 0.00186 0.00221 1.96160 A24 2.20941 0.00059 -0.00104 -0.00148 -0.00265 2.20676 A25 2.11416 -0.00028 0.00051 -0.00056 0.00014 2.11430 A26 2.09063 -0.00058 -0.00089 -0.00074 -0.00167 2.08896 A27 2.10219 -0.00020 -0.00316 -0.00498 -0.00820 2.09398 A28 2.09037 0.00078 0.00406 0.00570 0.00968 2.10006 A29 2.13543 -0.00012 -0.00094 -0.00144 -0.00249 2.13294 A30 1.98429 -0.00093 -0.00120 -0.00196 -0.00317 1.98113 A31 2.16330 0.00105 0.00216 0.00314 0.00531 2.16860 A32 1.86938 0.00053 0.00314 0.00763 0.01076 1.88014 A33 1.90084 -0.00021 -0.00025 -0.00133 -0.00159 1.89926 A34 1.97343 0.00040 -0.00080 -0.00264 -0.00345 1.96998 A35 1.87490 -0.00001 -0.00004 0.00063 0.00058 1.87548 A36 1.92854 -0.00101 -0.00212 -0.00762 -0.00972 1.91882 A37 1.91369 0.00029 0.00018 0.00356 0.00374 1.91743 A38 2.09922 -0.00039 -0.00275 -0.01513 -0.01961 2.07961 A39 2.14024 0.00074 -0.00167 -0.01006 -0.01362 2.12662 A40 1.95129 -0.00059 -0.00131 -0.00672 -0.00911 1.94218 A41 1.79238 0.00023 0.00134 0.00414 0.00582 1.79821 A42 1.93507 -0.00013 -0.00069 -0.00093 -0.00176 1.93331 A43 1.93844 -0.00005 -0.00012 -0.00075 -0.00094 1.93750 A44 1.97302 -0.00000 -0.00096 -0.00338 -0.00443 1.96860 A45 1.94528 -0.00010 0.00023 0.00099 0.00112 1.94640 A46 1.88008 0.00005 0.00020 -0.00001 0.00024 1.88032 A47 1.78534 0.00027 0.00248 0.00559 0.00765 1.79299 A48 1.91567 -0.00017 0.00048 0.00079 0.00134 1.91701 A49 1.96336 0.00002 -0.00136 -0.00321 -0.00442 1.95895 A50 1.92853 0.00004 0.00030 0.00139 0.00181 1.93034 A51 1.98257 -0.00018 -0.00173 -0.00312 -0.00475 1.97782 A52 1.88705 0.00002 -0.00003 -0.00105 -0.00115 1.88591 A53 1.81704 -0.00015 0.00026 0.00169 0.00147 1.81850 A54 2.01213 -0.00007 -0.00148 -0.00695 -0.00824 2.00389 A55 1.93053 0.00014 0.00060 0.00655 0.00717 1.93771 A56 1.93956 0.00014 0.00012 -0.00241 -0.00214 1.93742 A57 1.87904 -0.00000 0.00098 0.00325 0.00432 1.88336 A58 1.88163 -0.00006 -0.00027 -0.00134 -0.00166 1.87997 A59 1.86953 0.00030 0.00244 0.00710 0.00971 1.87925 A60 2.27522 -0.00066 -0.00189 -0.00670 -0.00869 2.26653 A61 2.13841 0.00036 -0.00056 -0.00040 -0.00104 2.13737 A62 1.97291 0.00102 0.00370 0.00832 0.01202 1.98493 D1 3.09409 0.00006 0.00044 -0.00134 -0.00090 3.09319 D2 1.03775 0.00009 0.00032 -0.00052 -0.00020 1.03755 D3 -1.06158 0.00000 0.00024 -0.00291 -0.00266 -1.06424 D4 -1.02330 -0.00001 -0.00026 -0.00182 -0.00208 -1.02538 D5 -3.07964 0.00001 -0.00037 -0.00100 -0.00137 -3.08101 D6 1.10421 -0.00007 -0.00045 -0.00339 -0.00384 1.10038 D7 0.97899 -0.00005 -0.00103 -0.00177 -0.00280 0.97619 D8 -1.07735 -0.00002 -0.00115 -0.00095 -0.00210 -1.07945 D9 3.10650 -0.00011 -0.00122 -0.00334 -0.00456 3.10194 D10 -1.06986 -0.00013 -0.00318 -0.02654 -0.02972 -1.09958 D11 3.00482 -0.00035 -0.00207 -0.02706 -0.02913 2.97569 D12 1.04431 -0.00031 -0.00351 -0.02904 -0.03255 1.01176 D13 1.63299 -0.00029 0.00448 -0.00161 0.00287 1.63586 D14 -1.53176 -0.00042 0.00148 -0.01057 -0.00909 -1.54086 D15 -2.43630 -0.00003 0.00354 -0.00151 0.00203 -2.43427 D16 0.68214 -0.00017 0.00054 -0.01047 -0.00993 0.67220 D17 -0.41927 0.00000 0.00606 0.00099 0.00706 -0.41221 D18 2.69917 -0.00013 0.00306 -0.00797 -0.00491 2.69426 D19 -3.11734 0.00008 0.00099 0.00148 0.00244 -3.11490 D20 0.02007 0.00003 0.00102 0.00067 0.00169 0.02175 D21 0.04291 0.00033 -0.00145 0.01933 0.01792 0.06083 D22 -3.10287 0.00027 -0.00142 0.01852 0.01717 -3.08570 D23 3.12139 0.00032 -0.00371 0.01716 0.01341 3.13480 D24 -0.03892 0.00005 -0.00291 0.00206 -0.00084 -0.03976 D25 -0.04002 0.00007 -0.00111 -0.00176 -0.00293 -0.04295 D26 3.08286 -0.00020 -0.00030 -0.01686 -0.01718 3.06567 D27 -3.13814 0.00066 -0.00658 0.05068 0.04425 -3.09388 D28 0.02641 -0.00057 0.00419 -0.03545 -0.03126 -0.00485 D29 0.00759 0.00072 -0.00661 0.05149 0.04500 0.05258 D30 -3.11105 -0.00051 0.00416 -0.03464 -0.03052 -3.14157 D31 3.01640 0.00039 -0.00726 0.02576 0.01844 3.03485 D32 -0.10347 0.00050 -0.00443 0.03417 0.02974 -0.07373 D33 -0.10160 -0.00089 0.00388 -0.06284 -0.05883 -0.16043 D34 3.06171 -0.00078 0.00671 -0.05442 -0.04754 3.01417 D35 -3.00928 -0.00008 0.00548 -0.01045 -0.00489 -3.01416 D36 0.13338 0.00000 0.00324 0.01172 0.01493 0.14831 D37 0.10728 -0.00022 0.00223 -0.02010 -0.01779 0.08949 D38 -3.03325 -0.00014 -0.00001 0.00206 0.00202 -3.03123 D39 -0.03083 -0.00012 0.00066 0.00294 0.00359 -0.02723 D40 3.13143 0.00020 -0.00018 0.01967 0.01951 -3.13225 D41 3.10971 -0.00020 0.00284 -0.01908 -0.01630 3.09341 D42 -0.01122 0.00012 0.00200 -0.00235 -0.00038 -0.01161 D43 -2.80715 -0.00012 -0.00606 -0.00889 -0.01495 -2.82211 D44 -0.78452 0.00004 -0.00458 -0.00478 -0.00935 -0.79387 D45 1.34746 0.00053 -0.00508 -0.00296 -0.00802 1.33943 D46 0.33550 -0.00004 -0.00827 0.01328 0.00499 0.34050 D47 2.35813 0.00012 -0.00679 0.01739 0.01060 2.36873 D48 -1.79307 0.00061 -0.00729 0.01921 0.01192 -1.78115 D49 1.15960 0.00027 0.00693 0.03378 0.04042 1.20002 D50 -2.46769 -0.00051 -0.00879 -0.04686 -0.05534 -2.52303 D51 -0.93545 0.00003 0.00495 0.03119 0.03583 -0.89961 D52 1.72045 -0.00074 -0.01077 -0.04945 -0.05993 1.66052 D53 -2.99881 0.00048 0.00618 0.03284 0.03872 -2.96009 D54 -0.34291 -0.00029 -0.00954 -0.04780 -0.05705 -0.39996 D55 -3.12912 -0.00034 -0.01475 -0.06304 -0.07769 3.07637 D56 -1.01689 -0.00028 -0.01545 -0.06507 -0.08040 -1.09729 D57 1.07281 -0.00033 -0.01573 -0.06619 -0.08188 0.99093 D58 0.44971 0.00001 -0.00057 0.01012 0.00947 0.45918 D59 2.56194 0.00008 -0.00126 0.00809 0.00676 2.56870 D60 -1.63154 0.00003 -0.00154 0.00697 0.00528 -1.62626 D61 -2.80098 0.00055 0.00934 0.04766 0.05711 -2.74388 D62 0.34755 0.00053 0.01080 0.04876 0.05968 0.40723 D63 -0.10854 -0.00016 -0.00550 -0.02894 -0.03447 -0.14301 D64 3.03999 -0.00018 -0.00404 -0.02784 -0.03190 3.00809 D65 -0.58963 -0.00011 0.00542 0.01058 0.01589 -0.57374 D66 1.45811 0.00001 0.00723 0.01540 0.02255 1.48065 D67 -2.72325 -0.00007 0.00663 0.01249 0.01911 -2.70414 D68 -2.67564 -0.00009 0.00590 0.01083 0.01664 -2.65900 D69 -0.62790 0.00002 0.00771 0.01564 0.02329 -0.60460 D70 1.47393 -0.00006 0.00711 0.01274 0.01986 1.49379 D71 1.48685 -0.00009 0.00616 0.01255 0.01869 1.50554 D72 -2.74860 0.00003 0.00797 0.01736 0.02534 -2.72326 D73 -0.64677 -0.00005 0.00737 0.01446 0.02191 -0.62487 D74 0.53390 -0.00017 -0.00926 -0.02911 -0.03839 0.49551 D75 2.66305 -0.00014 -0.00981 -0.03503 -0.04486 2.61819 D76 -1.48000 -0.00015 -0.01081 -0.03678 -0.04754 -1.52754 D77 -1.50462 -0.00014 -0.01125 -0.03357 -0.04481 -1.54943 D78 0.62454 -0.00010 -0.01179 -0.03949 -0.05129 0.57325 D79 2.76467 -0.00012 -0.01279 -0.04124 -0.05396 2.71071 D80 2.65438 -0.00006 -0.01021 -0.03102 -0.04130 2.61307 D81 -1.49966 -0.00003 -0.01075 -0.03695 -0.04777 -1.54743 D82 0.64047 -0.00005 -0.01175 -0.03869 -0.05045 0.59003 D83 -0.28002 0.00025 0.00914 0.03571 0.04496 -0.23505 D84 2.85530 0.00026 0.00783 0.03468 0.04258 2.89788 D85 -2.45647 0.00035 0.01071 0.04445 0.05525 -2.40122 D86 0.67885 0.00036 0.00939 0.04342 0.05286 0.73171 D87 1.76985 0.00034 0.01038 0.04547 0.05586 1.82571 D88 -1.37802 0.00035 0.00907 0.04444 0.05348 -1.32454 D89 -0.01907 -0.00001 -0.00028 0.00000 -0.00028 -0.01935 D90 3.13040 -0.00003 0.00136 0.00123 0.00259 3.13299 Item Value Threshold Converged? Maximum Force 0.002437 0.000450 NO RMS Force 0.000549 0.000300 NO Maximum Displacement 0.211031 0.001800 NO RMS Displacement 0.036035 0.001200 NO Predicted change in Energy=-4.741606D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.624292 -5.042626 2.632903 2 6 0 6.274804 -5.076626 4.111350 3 8 0 6.871720 -6.307255 2.087788 4 8 0 3.330126 -2.178640 -0.678692 5 6 0 3.962342 -2.865122 0.061979 6 7 0 5.035545 -2.360301 0.758042 7 6 0 5.864099 -3.025939 1.611876 8 8 0 6.739350 -2.448961 2.194264 9 7 0 5.591331 -4.371111 1.807726 10 6 0 4.466331 -4.976501 1.224338 11 6 0 3.693132 -4.270894 0.378512 12 1 0 7.497776 -4.429021 2.504294 13 1 0 6.145527 -4.063144 4.473007 14 1 0 7.097044 -5.524560 4.662988 15 1 0 5.243593 -1.392657 0.626426 16 6 0 4.109846 -6.421962 1.572650 17 17 0 2.271470 -4.895265 -0.397064 18 1 0 5.380408 -5.646848 4.302552 19 1 0 7.631187 -6.682409 2.517821 20 1 0 3.445154 -6.790047 0.806669 21 1 0 5.000900 -7.015772 1.537468 22 7 0 3.485954 -6.549540 2.869268 23 6 0 2.145044 -6.013326 3.067972 24 6 0 1.817434 -6.427139 4.503237 25 6 0 2.548076 -7.762331 4.643942 26 6 0 3.716689 -7.648148 3.689480 27 1 0 2.136333 -4.939375 2.928611 28 1 0 1.442499 -6.445651 2.357425 29 1 0 2.219470 -5.696860 5.197889 30 1 0 0.750529 -6.501956 4.674951 31 1 0 2.886345 -7.991292 5.645316 32 1 0 1.922963 -8.585848 4.309760 33 7 0 4.688391 -8.446368 3.713445 34 1 0 5.385293 -8.254504 3.018805 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519574 0.000000 3 O 1.399163 2.442450 0.000000 4 O 5.479106 6.325658 6.102603 0.000000 5 C 4.293850 5.160972 4.941322 1.191449 0.000000 6 N 3.637869 4.489862 4.551726 2.237333 1.375177 7 C 2.384830 3.259043 3.465376 3.519323 2.458601 8 O 2.633010 3.285672 3.862032 4.466516 3.525848 9 N 1.482854 2.504310 2.338052 4.012762 2.822984 10 C 2.577833 3.408143 2.881380 3.569386 2.462317 11 C 3.777505 4.609589 4.143888 2.372126 1.465900 12 H 1.075186 2.120774 2.023163 5.706569 4.572743 13 H 2.138828 1.083814 3.354498 6.165861 5.065443 14 H 2.139393 1.086751 2.700933 7.342915 6.169947 15 H 4.388001 5.174912 5.379558 2.445907 2.031836 16 C 3.057637 3.597495 2.811845 4.866445 3.867168 17 Cl 5.305608 6.032028 5.415765 2.929184 2.681650 18 H 2.167962 1.077801 2.750514 6.406630 5.266058 19 H 1.927685 2.637736 0.949978 7.000055 5.836374 20 H 4.061469 4.675858 3.689947 4.846092 4.028285 21 H 2.780051 3.465254 2.074805 5.576800 4.525877 22 N 3.489388 3.389680 3.483221 5.631791 4.656474 23 C 4.603825 4.361302 4.836178 5.490604 4.716964 24 C 5.340497 4.673928 5.603086 6.869525 6.083861 25 C 5.296849 4.624410 5.229251 7.753686 6.853991 26 C 4.044658 3.651665 3.783865 7.010412 6.008031 27 H 4.498876 4.306350 5.000197 4.696748 3.981760 28 H 5.375439 5.319930 5.437674 5.566734 4.943568 29 H 5.139030 4.243935 5.629275 6.938706 6.118326 30 H 6.387542 5.732959 6.648331 7.348937 6.694909 31 H 5.633960 4.725461 5.601356 8.600985 7.655654 32 H 6.121173 5.593972 5.883820 8.241181 7.411437 33 N 4.062111 3.745690 3.462006 7.773041 6.708998 34 H 3.464130 3.476175 2.620694 7.403466 6.309757 6 7 8 9 10 6 N 0.000000 7 C 1.363308 0.000000 8 O 2.230145 1.199227 0.000000 9 N 2.335400 1.386451 2.272008 0.000000 10 C 2.717708 2.430768 3.534944 1.404445 0.000000 11 C 2.365688 2.790017 3.986959 2.378204 1.345785 12 H 3.659451 2.331084 2.142888 2.030540 3.335818 13 H 4.234702 3.056316 2.854974 2.739653 3.769320 14 H 5.432395 4.131893 3.960032 3.427847 4.364096 15 H 0.998470 2.005928 2.410640 3.222977 3.715585 16 C 4.244713 3.822553 4.804730 2.540875 1.528973 17 Cl 3.924337 4.520752 5.715010 4.019616 2.730011 18 H 4.846016 3.787196 4.064244 2.810008 3.280290 19 H 5.339925 4.160903 4.338450 3.163439 3.820934 20 H 4.706842 4.546225 5.623360 3.385180 2.122781 21 H 4.720393 4.082819 4.930451 2.723211 2.131299 22 N 4.940469 4.433099 5.277780 3.210146 2.478182 23 C 5.199554 4.987591 5.880111 4.020197 3.140440 24 C 6.397022 6.025249 6.736654 5.073000 4.457823 25 C 7.104200 6.528617 7.197194 5.367112 4.809807 26 C 6.188217 5.503873 6.197072 4.218323 3.711682 27 H 4.446170 4.392182 5.284808 3.676455 2.887009 28 H 5.670810 5.639221 6.637528 4.671048 3.547654 29 H 6.226969 5.768589 6.324549 4.961881 4.621300 30 H 7.131398 6.900269 7.645034 6.016215 5.295369 31 H 7.759675 7.056230 7.581084 5.928723 5.579459 32 H 7.814108 7.329645 8.082962 6.122181 5.386643 33 N 6.774595 5.931267 6.517916 4.588549 4.276090 34 H 6.322578 5.435677 6.018111 4.073070 3.848363 11 12 13 14 15 11 C 0.000000 12 H 4.361109 0.000000 13 H 4.777268 2.416252 0.000000 14 H 5.613824 2.453722 1.754199 0.000000 15 H 3.278664 4.222231 4.768770 6.066443 0.000000 16 C 2.495337 4.039535 4.256770 4.390771 5.241624 17 Cl 1.735650 5.995794 6.278402 7.020420 4.706305 18 H 4.487564 3.033163 1.767082 1.758325 5.624122 19 H 5.089236 2.257374 3.590332 2.495529 6.104052 20 H 2.567283 4.987998 5.307547 5.459758 5.691985 21 H 3.253888 3.722959 4.318052 4.048013 5.701606 22 N 3.382161 4.552420 3.978376 4.160287 5.891780 23 C 3.558910 5.610659 4.667033 5.225444 6.075585 24 C 5.018066 6.344646 4.931711 5.358586 7.219019 25 C 5.629847 6.339446 5.162834 5.069624 7.998687 26 C 4.729577 5.105298 4.400617 4.109032 7.130561 27 H 3.061617 5.402368 4.384812 5.287642 5.247317 28 H 3.702839 6.383945 5.680713 6.175590 6.555717 29 H 5.237505 6.059982 4.313746 4.909840 6.969201 30 H 5.665328 7.384724 5.924069 6.421347 7.917267 31 H 6.498575 6.619750 5.237072 4.977923 8.619040 32 H 6.099756 7.184528 6.189632 6.022239 8.737020 33 N 5.435706 5.049135 4.681114 3.903870 7.719635 34 H 5.069881 4.400185 4.501129 3.617461 7.268321 16 17 18 19 20 16 C 0.000000 17 Cl 3.096805 0.000000 18 H 3.109259 5.684783 0.000000 19 H 3.655274 6.357437 3.053466 0.000000 20 H 1.078902 2.533122 4.156117 4.523550 0.000000 21 H 1.071366 3.960903 3.108644 2.826771 1.733599 22 N 1.444554 3.857528 2.541282 4.162227 2.076975 23 C 2.502681 3.643146 3.482251 5.554106 2.721593 24 C 3.720688 5.154196 3.652932 6.148720 4.055340 25 C 3.697100 5.805887 3.551609 5.614680 4.058910 26 C 2.477715 5.134867 2.673766 4.198658 3.020044 27 H 2.816282 3.328712 3.593362 5.779303 3.104937 28 H 2.780498 3.267736 4.464161 6.195292 2.556184 29 H 4.152307 5.652323 3.285675 6.118885 4.688302 30 H 4.573366 5.533539 4.722888 7.213129 4.723092 31 H 4.532809 6.817170 3.676926 5.831631 5.016748 32 H 4.117842 5.991331 4.537808 6.278371 4.220617 33 N 3.002655 5.945429 2.943340 3.633334 3.569088 34 H 2.660138 5.713890 2.906527 2.786845 3.286687 21 22 23 24 25 21 H 0.000000 22 N 2.070296 0.000000 23 C 3.391644 1.457753 0.000000 24 C 4.390527 2.338545 1.529234 0.000000 25 C 4.027887 2.345196 2.388543 1.528520 0.000000 26 C 2.584619 1.390297 2.351378 2.400048 1.513173 27 H 3.801637 2.101815 1.082990 2.189654 3.328810 28 H 3.695887 2.109143 1.088738 2.178400 2.860788 29 H 4.782736 2.784514 2.154586 1.085119 2.163565 30 H 5.307868 3.278003 2.183075 1.083222 2.195606 31 H 4.722012 3.185062 3.332353 2.212123 1.081479 32 H 4.429947 2.943553 2.865174 2.169929 1.086565 33 N 2.622813 2.399260 3.578399 3.597701 2.432011 34 H 1.968902 2.556707 3.940114 4.274624 3.306524 26 27 28 29 30 26 C 0.000000 27 H 3.227057 0.000000 28 H 2.896948 1.754003 0.000000 29 H 2.885219 2.393808 3.038521 0.000000 30 H 3.329116 2.722465 2.419281 1.754831 0.000000 31 H 2.152327 4.154178 3.909466 2.430912 2.778748 32 H 2.116950 3.905107 2.936477 3.036930 2.418795 33 N 1.257750 4.407716 4.046909 3.982328 4.495775 34 H 1.897817 4.642623 4.388051 4.616534 5.224488 31 32 33 34 31 H 0.000000 32 H 1.750803 0.000000 33 N 2.680781 2.832426 0.000000 34 H 3.634911 3.709997 1.002502 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.100520 2.409138 -0.327962 2 6 0 0.906743 2.646254 0.784827 3 8 0 0.480891 2.312340 -1.596918 4 8 0 -3.750413 -1.615377 0.380673 5 6 0 -2.880265 -0.815738 0.229121 6 7 0 -3.025685 0.483308 0.656253 7 6 0 -2.136408 1.508579 0.527357 8 8 0 -2.371917 2.588944 0.991569 9 7 0 -0.939746 1.207189 -0.104632 10 6 0 -0.638311 -0.106034 -0.500924 11 6 0 -1.563043 -1.073610 -0.360194 12 1 0 -0.805377 3.221050 -0.326899 13 1 0 0.381675 2.758760 1.726262 14 1 0 1.443362 3.571059 0.590390 15 1 0 -3.882867 0.714526 1.113110 16 6 0 0.744607 -0.435828 -1.063536 17 17 0 -1.313228 -2.734654 -0.797235 18 1 0 1.621157 1.842912 0.861690 19 1 0 0.897728 3.139909 -1.806287 20 1 0 0.668895 -1.372813 -1.593024 21 1 0 1.015540 0.315742 -1.777372 22 7 0 1.759583 -0.529033 -0.039879 23 6 0 1.715006 -1.637799 0.905476 24 6 0 2.981196 -1.432198 1.737970 25 6 0 3.955685 -0.830187 0.725880 26 6 0 3.065621 -0.106880 -0.261189 27 1 0 0.810880 -1.599146 1.500396 28 1 0 1.729532 -2.594511 0.386011 29 1 0 2.783541 -0.730442 2.541683 30 1 0 3.336652 -2.355745 2.178517 31 1 0 4.691668 -0.159536 1.147964 32 1 0 4.488490 -1.608889 0.187024 33 7 0 3.514715 0.722427 -1.093354 34 1 0 2.811586 1.117575 -1.688734 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4649111 0.2975404 0.2154736 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.7687774355 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.63D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999971 -0.004421 0.000356 -0.006207 Ang= -0.87 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.15999113 A.U. after 12 cycles NFock= 12 Conv=0.88D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000433345 0.000332090 0.000350851 2 6 0.000156932 0.000171978 0.000091858 3 8 0.001879069 -0.000017259 0.001480808 4 8 0.001534738 -0.001343854 0.001065138 5 6 -0.002073375 0.002484884 -0.001346248 6 7 0.002598570 -0.002233494 -0.001237588 7 6 -0.004920021 0.002713151 0.009340524 8 8 0.000730450 -0.001776958 -0.004977121 9 7 0.000322686 -0.000898966 -0.004110535 10 6 -0.001016199 0.000854247 0.001047372 11 6 0.001395421 -0.001331779 0.001175233 12 1 -0.000283833 -0.000809302 -0.000160903 13 1 0.000095012 -0.000551904 -0.000324206 14 1 -0.000246341 0.000116904 -0.000130836 15 1 0.000126858 0.000075576 0.000011953 16 6 0.000639355 -0.000202577 -0.000930584 17 17 0.001094134 -0.000816166 0.000239284 18 1 0.000114752 0.000066723 -0.000086634 19 1 -0.001225977 0.001269704 -0.001034351 20 1 -0.000184655 0.000632286 -0.001057945 21 1 -0.001210955 0.000666613 0.000114095 22 7 0.000381269 0.000957690 0.000906345 23 6 -0.000861134 0.000872067 0.000531755 24 6 -0.000975687 0.000459910 -0.000169280 25 6 -0.000114399 0.000040283 -0.000128505 26 6 0.003275902 -0.002601689 -0.000609438 27 1 -0.000223628 -0.000695263 -0.000069410 28 1 0.000095866 -0.000104138 0.000232229 29 1 0.000010640 -0.000223949 -0.000198423 30 1 0.000443730 0.000373728 0.000056402 31 1 -0.000017498 0.000162626 -0.000624845 32 1 0.000436120 0.000137492 0.000089460 33 7 -0.001900213 0.000521446 0.000631294 34 1 -0.000510932 0.000697898 -0.000167748 ------------------------------------------------------------------- Cartesian Forces: Max 0.009340524 RMS 0.001571258 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002963285 RMS 0.000828028 Search for a local minimum. Step number 9 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 9 DE= 1.68D-05 DEPred=-4.74D-04 R=-3.54D-02 Trust test=-3.54D-02 RLast= 3.22D-01 DXMaxT set to 4.14D-01 ITU= -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00249 0.00264 0.00399 0.00800 0.00903 Eigenvalues --- 0.00972 0.01047 0.01098 0.01325 0.01411 Eigenvalues --- 0.01522 0.01797 0.02012 0.02158 0.02320 Eigenvalues --- 0.02441 0.02760 0.03242 0.03366 0.03695 Eigenvalues --- 0.04691 0.04909 0.04952 0.05244 0.05336 Eigenvalues --- 0.05397 0.05763 0.05790 0.06103 0.06220 Eigenvalues --- 0.06688 0.06712 0.07268 0.08271 0.08458 Eigenvalues --- 0.08565 0.09396 0.10114 0.10911 0.13486 Eigenvalues --- 0.15771 0.15986 0.15996 0.16010 0.16019 Eigenvalues --- 0.16670 0.18777 0.20202 0.20365 0.21007 Eigenvalues --- 0.22080 0.22767 0.23816 0.24686 0.24902 Eigenvalues --- 0.24969 0.24989 0.25218 0.26844 0.27673 Eigenvalues --- 0.28235 0.28470 0.28614 0.31586 0.32071 Eigenvalues --- 0.32373 0.33631 0.33749 0.33809 0.33817 Eigenvalues --- 0.33833 0.33839 0.33900 0.33907 0.33990 Eigenvalues --- 0.34377 0.34605 0.35048 0.36084 0.36333 Eigenvalues --- 0.37301 0.37423 0.38318 0.41316 0.42519 Eigenvalues --- 0.46845 0.48773 0.49137 0.49259 0.50858 Eigenvalues --- 0.56872 0.61613 0.75856 0.81700 0.88922 Eigenvalues --- 0.96492 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 RFO step: Lambda=-7.91292888D-04. DidBck=T Rises=T En-DIIS coefs: 0.49540 0.50460 Iteration 1 RMS(Cart)= 0.01603443 RMS(Int)= 0.00018205 Iteration 2 RMS(Cart)= 0.00024229 RMS(Int)= 0.00010794 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00010794 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87158 -0.00046 -0.00131 0.00081 -0.00050 2.87108 R2 2.64404 -0.00119 -0.00266 0.00198 -0.00068 2.64335 R3 2.80219 0.00048 0.00121 -0.00095 0.00025 2.80244 R4 2.03181 -0.00067 -0.00182 0.00074 -0.00108 2.03073 R5 2.04811 -0.00064 -0.00141 0.00077 -0.00063 2.04748 R6 2.05366 -0.00030 -0.00073 0.00034 -0.00038 2.05328 R7 2.03675 -0.00015 -0.00004 -0.00025 -0.00029 2.03646 R8 1.79520 -0.00195 -0.00294 0.00140 -0.00153 1.79367 R9 2.25151 -0.00225 -0.00249 0.00140 -0.00109 2.25042 R10 2.59871 -0.00027 0.00142 -0.00130 0.00014 2.59885 R11 2.77015 0.00019 0.00030 0.00034 0.00062 2.77077 R12 2.57628 -0.00145 -0.00209 0.00122 -0.00083 2.57545 R13 1.88683 0.00010 0.00019 -0.00005 0.00013 1.88696 R14 2.26621 -0.00274 -0.00242 0.00115 -0.00127 2.26494 R15 2.62001 -0.00105 -0.00083 0.00006 -0.00075 2.61926 R16 2.65402 -0.00083 -0.00502 0.00373 -0.00130 2.65271 R17 2.54317 -0.00289 -0.00213 0.00056 -0.00162 2.54155 R18 2.88934 -0.00175 -0.00261 -0.00024 -0.00285 2.88649 R19 3.27990 -0.00071 -0.00087 0.00023 -0.00064 3.27927 R20 2.03883 0.00065 0.00040 -0.00003 0.00037 2.03920 R21 2.02459 -0.00138 -0.00229 0.00133 -0.00095 2.02363 R22 2.72981 0.00036 -0.00334 0.00526 0.00192 2.73173 R23 2.75475 0.00099 0.00012 0.00177 0.00174 2.75650 R24 2.62728 0.00034 -0.00468 0.00702 0.00223 2.62951 R25 2.88983 -0.00064 -0.00203 0.00126 -0.00076 2.88907 R26 2.04655 -0.00068 -0.00137 0.00052 -0.00085 2.04570 R27 2.05742 -0.00017 -0.00035 0.00012 -0.00023 2.05719 R28 2.88848 0.00055 -0.00096 0.00246 0.00166 2.89014 R29 2.05058 -0.00027 -0.00029 -0.00019 -0.00048 2.05010 R30 2.04699 -0.00045 -0.00096 0.00035 -0.00061 2.04638 R31 2.85948 -0.00007 -0.00012 0.00058 0.00055 2.86003 R32 2.04370 -0.00062 -0.00161 0.00097 -0.00064 2.04306 R33 2.05331 -0.00038 0.00002 -0.00083 -0.00081 2.05250 R34 2.37680 -0.00263 -0.00094 -0.00088 -0.00182 2.37498 R35 1.89445 -0.00011 0.00023 -0.00012 0.00011 1.89457 A1 1.98177 -0.00009 0.00013 0.00016 0.00028 1.98206 A2 1.97288 -0.00020 -0.00009 0.00141 0.00131 1.97420 A3 1.89230 0.00036 0.00220 -0.00141 0.00078 1.89308 A4 1.89198 0.00066 0.00042 -0.00086 -0.00044 1.89154 A5 1.90239 -0.00058 -0.00205 -0.00061 -0.00266 1.89974 A6 1.81411 -0.00018 -0.00078 0.00136 0.00058 1.81469 A7 1.90834 -0.00017 0.00007 -0.00059 -0.00052 1.90782 A8 1.90612 0.00009 0.00111 -0.00124 -0.00013 1.90599 A9 1.95551 -0.00007 -0.00006 0.00015 0.00009 1.95560 A10 1.88209 0.00005 -0.00027 0.00035 0.00007 1.88217 A11 1.91405 0.00010 0.00069 -0.00088 -0.00019 1.91385 A12 1.89625 0.00001 -0.00156 0.00224 0.00068 1.89693 A13 1.89858 -0.00063 -0.00072 -0.00132 -0.00204 1.89655 A14 2.11444 0.00048 0.00106 -0.00006 0.00100 2.11544 A15 2.20102 0.00073 0.00289 -0.00166 0.00123 2.20225 A16 1.96716 -0.00118 -0.00375 0.00182 -0.00192 1.96523 A17 2.22947 0.00036 0.00239 -0.00146 0.00100 2.23047 A18 2.03941 -0.00009 -0.00058 0.00027 -0.00034 2.03907 A19 2.01429 -0.00027 -0.00181 0.00117 -0.00068 2.01361 A20 2.10925 -0.00067 -0.00153 0.00100 -0.00091 2.10834 A21 2.02931 0.00017 -0.00135 0.00102 -0.00058 2.02873 A22 2.14336 0.00068 0.00339 -0.00042 0.00259 2.14595 A23 1.96160 -0.00206 -0.00112 0.00097 -0.00015 1.96145 A24 2.20676 0.00242 0.00134 0.00021 0.00155 2.20830 A25 2.11430 -0.00036 -0.00007 -0.00146 -0.00150 2.11279 A26 2.08896 0.00020 0.00084 -0.00064 0.00015 2.08911 A27 2.09398 0.00277 0.00414 -0.00303 0.00113 2.09511 A28 2.10006 -0.00296 -0.00489 0.00378 -0.00110 2.09896 A29 2.13294 0.00075 0.00125 -0.00068 0.00052 2.13346 A30 1.98113 0.00125 0.00160 -0.00043 0.00119 1.98232 A31 2.16860 -0.00198 -0.00268 0.00122 -0.00143 2.16717 A32 1.88014 -0.00089 -0.00543 0.00471 -0.00071 1.87943 A33 1.89926 0.00040 0.00080 -0.00175 -0.00095 1.89830 A34 1.96998 -0.00031 0.00174 -0.00317 -0.00144 1.96854 A35 1.87548 0.00005 -0.00029 0.00083 0.00055 1.87602 A36 1.91882 0.00095 0.00490 -0.00178 0.00312 1.92194 A37 1.91743 -0.00021 -0.00189 0.00139 -0.00050 1.91692 A38 2.07961 0.00042 0.00990 -0.01351 -0.00287 2.07674 A39 2.12662 -0.00073 0.00687 -0.01219 -0.00450 2.12213 A40 1.94218 0.00027 0.00460 -0.00667 -0.00161 1.94057 A41 1.79821 0.00001 -0.00294 0.00324 0.00013 1.79834 A42 1.93331 0.00009 0.00089 0.00000 0.00096 1.93427 A43 1.93750 -0.00001 0.00047 -0.00106 -0.00055 1.93695 A44 1.96860 0.00002 0.00223 -0.00226 0.00001 1.96861 A45 1.94640 -0.00009 -0.00057 0.00022 -0.00030 1.94610 A46 1.88032 -0.00001 -0.00012 -0.00009 -0.00024 1.88008 A47 1.79299 -0.00030 -0.00386 0.00282 -0.00087 1.79212 A48 1.91701 0.00013 -0.00068 0.00029 -0.00041 1.91660 A49 1.95895 0.00001 0.00223 -0.00168 0.00049 1.95943 A50 1.93034 -0.00001 -0.00091 0.00057 -0.00040 1.92994 A51 1.97782 0.00028 0.00240 -0.00059 0.00177 1.97959 A52 1.88591 -0.00011 0.00058 -0.00122 -0.00061 1.88530 A53 1.81850 0.00072 -0.00074 0.00190 0.00136 1.81986 A54 2.00389 -0.00012 0.00416 -0.00584 -0.00176 2.00213 A55 1.93771 -0.00002 -0.00362 0.00678 0.00315 1.94086 A56 1.93742 -0.00045 0.00108 -0.00323 -0.00221 1.93520 A57 1.88336 -0.00024 -0.00218 0.00208 -0.00014 1.88322 A58 1.87997 0.00009 0.00084 -0.00116 -0.00030 1.87966 A59 1.87925 -0.00073 -0.00490 0.00431 -0.00068 1.87856 A60 2.26653 0.00046 0.00438 -0.00458 -0.00016 2.26638 A61 2.13737 0.00027 0.00053 0.00025 0.00083 2.13819 A62 1.98493 -0.00165 -0.00607 0.00247 -0.00359 1.98134 D1 3.09319 -0.00039 0.00046 -0.00089 -0.00043 3.09276 D2 1.03755 -0.00040 0.00010 -0.00024 -0.00014 1.03741 D3 -1.06424 -0.00043 0.00134 -0.00231 -0.00097 -1.06522 D4 -1.02538 0.00027 0.00105 -0.00078 0.00027 -1.02511 D5 -3.08101 0.00026 0.00069 -0.00014 0.00055 -3.08046 D6 1.10038 0.00023 0.00194 -0.00221 -0.00027 1.10010 D7 0.97619 0.00016 0.00141 0.00079 0.00221 0.97839 D8 -1.07945 0.00015 0.00106 0.00144 0.00249 -1.07696 D9 3.10194 0.00012 0.00230 -0.00064 0.00166 3.10360 D10 -1.09958 -0.00022 0.01500 -0.03101 -0.01602 -1.11559 D11 2.97569 -0.00041 0.01470 -0.03231 -0.01761 2.95809 D12 1.01176 -0.00024 0.01642 -0.03315 -0.01673 0.99504 D13 1.63586 0.00020 -0.00145 0.00499 0.00354 1.63940 D14 -1.54086 0.00020 0.00459 -0.00433 0.00026 -1.54059 D15 -2.43427 0.00045 -0.00103 0.00556 0.00453 -2.42973 D16 0.67220 0.00044 0.00501 -0.00376 0.00126 0.67346 D17 -0.41221 -0.00002 -0.00356 0.00516 0.00159 -0.41062 D18 2.69426 -0.00003 0.00248 -0.00416 -0.00169 2.69258 D19 -3.11490 0.00001 -0.00123 0.00465 0.00344 -3.11146 D20 0.02175 -0.00004 -0.00085 0.00125 0.00041 0.02216 D21 0.06083 -0.00065 -0.00904 0.00163 -0.00742 0.05340 D22 -3.08570 -0.00071 -0.00866 -0.00178 -0.01046 -3.09616 D23 3.13480 -0.00080 -0.00677 -0.00680 -0.01355 3.12125 D24 -0.03976 -0.00006 0.00042 -0.00323 -0.00279 -0.04255 D25 -0.04295 -0.00010 0.00148 -0.00355 -0.00204 -0.04500 D26 3.06567 0.00064 0.00867 0.00003 0.00871 3.07438 D27 -3.09388 -0.00220 -0.02233 -0.02379 -0.04615 -3.14003 D28 -0.00485 0.00142 0.01577 0.00955 0.02532 0.02047 D29 0.05258 -0.00214 -0.02270 -0.02043 -0.04315 0.00943 D30 -3.14157 0.00147 0.01540 0.01291 0.02832 -3.11325 D31 3.03485 -0.00142 -0.00931 -0.02781 -0.03710 2.99775 D32 -0.07373 -0.00148 -0.01500 -0.01909 -0.03409 -0.10783 D33 -0.16043 0.00223 0.02969 0.00628 0.03595 -0.12448 D34 3.01417 0.00217 0.02399 0.01501 0.03895 3.05313 D35 -3.01416 0.00090 0.00247 0.02781 0.03026 -2.98391 D36 0.14831 0.00043 -0.00753 0.02135 0.01385 0.16216 D37 0.08949 0.00087 0.00898 0.01779 0.02675 0.11624 D38 -3.03123 0.00040 -0.00102 0.01133 0.01035 -3.02088 D39 -0.02723 -0.00003 -0.00181 -0.00589 -0.00769 -0.03493 D40 -3.13225 -0.00091 -0.00984 -0.00981 -0.01966 3.13127 D41 3.09341 0.00051 0.00823 0.00051 0.00878 3.10218 D42 -0.01161 -0.00037 0.00019 -0.00341 -0.00319 -0.01480 D43 -2.82211 0.00032 0.00755 -0.01119 -0.00364 -2.82575 D44 -0.79387 0.00011 0.00472 -0.00860 -0.00388 -0.79775 D45 1.33943 -0.00007 0.00405 -0.01020 -0.00616 1.33327 D46 0.34050 -0.00019 -0.00252 -0.01764 -0.02015 0.32034 D47 2.36873 -0.00040 -0.00535 -0.01504 -0.02039 2.34834 D48 -1.78115 -0.00058 -0.00602 -0.01665 -0.02267 -1.80382 D49 1.20002 -0.00028 -0.02040 0.03209 0.01182 1.21184 D50 -2.52303 -0.00028 0.02793 -0.03380 -0.00602 -2.52905 D51 -0.89961 0.00039 -0.01808 0.02945 0.01151 -0.88810 D52 1.66052 0.00039 0.03024 -0.03644 -0.00633 1.65419 D53 -2.96009 -0.00013 -0.01954 0.02867 0.00926 -2.95083 D54 -0.39996 -0.00013 0.02879 -0.03723 -0.00858 -0.40854 D55 3.07637 -0.00012 0.03920 -0.04809 -0.00893 3.06744 D56 -1.09729 -0.00005 0.04057 -0.04888 -0.00836 -1.10566 D57 0.99093 -0.00002 0.04132 -0.04969 -0.00839 0.98254 D58 0.45918 0.00021 -0.00478 0.01278 0.00804 0.46723 D59 2.56870 0.00027 -0.00341 0.01199 0.00861 2.57731 D60 -1.62626 0.00031 -0.00267 0.01118 0.00858 -1.61768 D61 -2.74388 -0.00014 -0.02882 0.03635 0.00748 -2.73639 D62 0.40723 -0.00007 -0.03011 0.03907 0.00890 0.41613 D63 -0.14301 -0.00006 0.01739 -0.02682 -0.00940 -0.15242 D64 3.00809 0.00000 0.01610 -0.02409 -0.00799 3.00011 D65 -0.57374 0.00011 -0.00802 0.00510 -0.00287 -0.57661 D66 1.48065 -0.00001 -0.01138 0.00737 -0.00397 1.47668 D67 -2.70414 -0.00005 -0.00964 0.00492 -0.00471 -2.70885 D68 -2.65900 -0.00001 -0.00840 0.00425 -0.00411 -2.66311 D69 -0.60460 -0.00013 -0.01175 0.00651 -0.00521 -0.60982 D70 1.49379 -0.00017 -0.01002 0.00407 -0.00595 1.48784 D71 1.50554 0.00006 -0.00943 0.00583 -0.00359 1.50195 D72 -2.72326 -0.00006 -0.01279 0.00810 -0.00469 -2.72795 D73 -0.62487 -0.00010 -0.01105 0.00566 -0.00543 -0.63029 D74 0.49551 0.00015 0.01937 -0.02170 -0.00232 0.49319 D75 2.61819 0.00002 0.02264 -0.02780 -0.00516 2.61303 D76 -1.52754 0.00004 0.02399 -0.02835 -0.00439 -1.53193 D77 -1.54943 0.00017 0.02261 -0.02381 -0.00120 -1.55063 D78 0.57325 0.00004 0.02588 -0.02991 -0.00403 0.56922 D79 2.71071 0.00006 0.02723 -0.03047 -0.00327 2.70744 D80 2.61307 0.00012 0.02084 -0.02223 -0.00136 2.61171 D81 -1.54743 -0.00001 0.02411 -0.02833 -0.00419 -1.55162 D82 0.59003 0.00001 0.02546 -0.02889 -0.00343 0.58660 D83 -0.23505 0.00005 -0.02269 0.02996 0.00722 -0.22784 D84 2.89788 -0.00000 -0.02149 0.02745 0.00592 2.90380 D85 -2.40122 -0.00001 -0.02788 0.03765 0.00974 -2.39149 D86 0.73171 -0.00007 -0.02668 0.03514 0.00844 0.74016 D87 1.82571 0.00028 -0.02819 0.03964 0.01145 1.83716 D88 -1.32454 0.00023 -0.02698 0.03713 0.01015 -1.31439 D89 -0.01935 0.00002 0.00014 0.00026 0.00040 -0.01894 D90 3.13299 0.00010 -0.00131 0.00332 0.00201 3.13500 Item Value Threshold Converged? Maximum Force 0.002963 0.000450 NO RMS Force 0.000828 0.000300 NO Maximum Displacement 0.068583 0.001800 NO RMS Displacement 0.016031 0.001200 NO Predicted change in Energy=-4.013905D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.624217 -5.036302 2.633413 2 6 0 6.283757 -5.089662 4.113121 3 8 0 6.879093 -6.292162 2.072612 4 8 0 3.359197 -2.190012 -0.714985 5 6 0 3.972492 -2.867473 0.048617 6 7 0 5.036321 -2.359042 0.756492 7 6 0 5.846273 -3.016025 1.633855 8 8 0 6.743307 -2.444883 2.186721 9 7 0 5.582216 -4.363874 1.820191 10 6 0 4.458876 -4.969308 1.235313 11 6 0 3.697827 -4.270417 0.374389 12 1 0 7.492825 -4.416528 2.506140 13 1 0 6.148645 -4.081477 4.486266 14 1 0 7.112817 -5.536755 4.654742 15 1 0 5.253765 -1.395095 0.612948 16 6 0 4.101479 -6.413485 1.581395 17 17 0 2.295444 -4.906983 -0.425244 18 1 0 5.394929 -5.668644 4.303084 19 1 0 7.652105 -6.657619 2.484696 20 1 0 3.434999 -6.778808 0.815367 21 1 0 4.991803 -7.007297 1.543286 22 7 0 3.482251 -6.540935 2.881391 23 6 0 2.136673 -6.013302 3.078259 24 6 0 1.807735 -6.433285 4.510997 25 6 0 2.543568 -7.767099 4.647200 26 6 0 3.712172 -7.647627 3.692916 27 1 0 2.120550 -4.939517 2.941812 28 1 0 1.439119 -6.448492 2.364735 29 1 0 2.206897 -5.704632 5.208611 30 1 0 0.741116 -6.510745 4.681268 31 1 0 2.884678 -7.995057 5.647474 32 1 0 1.923218 -8.593834 4.313486 33 7 0 4.682617 -8.446035 3.710119 34 1 0 5.378019 -8.245590 3.016312 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519308 0.000000 3 O 1.398801 2.442153 0.000000 4 O 5.474806 6.345994 6.081777 0.000000 5 C 4.291461 5.176897 4.926802 1.190871 0.000000 6 N 3.634828 4.503259 4.538438 2.237534 1.375252 7 C 2.384499 3.261614 3.462990 3.519218 2.458882 8 O 2.632332 3.304097 3.851365 4.465093 3.525263 9 N 1.482989 2.505286 2.337499 4.011809 2.822924 10 C 2.578347 3.409759 2.882441 3.568956 2.462220 11 C 3.775384 4.619125 4.134232 2.372655 1.466226 12 H 1.074616 2.120695 2.020549 5.693848 4.564179 13 H 2.137972 1.083480 3.353566 6.197715 5.089418 14 H 2.138914 1.086548 2.700493 7.356924 6.180865 15 H 4.383926 5.192487 5.362236 2.446362 2.031754 16 C 3.060651 3.595064 2.823324 4.864367 3.865261 17 Cl 5.301923 6.044566 5.400727 2.932141 2.682655 18 H 2.167672 1.077646 2.750731 6.436311 5.288702 19 H 1.925445 2.642467 0.949168 6.973273 5.817150 20 H 4.063585 4.673737 3.698550 4.837848 4.021858 21 H 2.781721 3.456953 2.086497 5.565198 4.517873 22 N 3.492472 3.387003 3.500650 5.646202 4.664683 23 C 4.614159 4.372912 4.855887 5.522754 4.737637 24 C 5.354939 4.690245 5.628882 6.908205 6.108521 25 C 5.307003 4.630650 5.253639 7.779600 6.869871 26 C 4.052353 3.651411 3.806844 7.024226 6.016524 27 H 4.515251 4.327447 5.022837 4.739851 4.011687 28 H 5.380679 5.326706 5.450055 5.595179 4.960451 29 H 5.156648 4.266037 5.657659 6.983506 6.147547 30 H 6.401450 5.750055 6.672903 7.392065 6.721360 31 H 5.641182 4.727504 5.624486 8.625810 7.669593 32 H 6.130095 5.597649 5.905922 8.267799 7.428314 33 N 4.068830 3.740494 3.484983 7.776298 6.710531 34 H 3.463978 3.461680 2.638119 7.393798 6.301338 6 7 8 9 10 6 N 0.000000 7 C 1.362870 0.000000 8 O 2.228615 1.198554 0.000000 9 N 2.334268 1.386053 2.272663 0.000000 10 C 2.715916 2.428790 3.535042 1.403755 0.000000 11 C 2.364513 2.788471 3.986485 2.376973 1.344929 12 H 3.650880 2.330970 2.133351 2.030695 3.335478 13 H 4.256203 3.059880 2.884436 2.740172 3.769915 14 H 5.441145 4.133277 3.973329 3.428275 4.365535 15 H 0.998539 2.005176 2.407810 3.221639 3.714052 16 C 4.241804 3.819659 4.805775 2.539786 1.527466 17 Cl 3.924399 4.519292 5.715574 4.017440 2.727962 18 H 4.864194 3.790103 4.085309 2.811096 3.282756 19 H 5.320412 4.152851 4.319936 3.160265 3.822050 20 H 4.701279 4.543424 5.622136 3.384098 2.121077 21 H 4.714584 4.082717 4.929239 2.722674 2.128910 22 N 4.941514 4.423793 5.281543 3.205558 2.476567 23 C 5.210775 4.983082 5.894873 4.021830 3.143088 24 C 6.412452 6.022076 6.757919 5.076378 4.461153 25 C 7.113263 6.523865 7.212333 5.367244 4.810095 26 C 6.192341 5.499623 6.206847 4.217488 3.710899 27 H 4.464997 4.392218 5.306905 3.684092 2.894961 28 H 5.678900 5.633740 6.647930 4.669842 3.547184 29 H 6.246598 5.766502 6.351126 4.967072 4.625928 30 H 7.147677 6.896551 7.666830 6.019225 5.298337 31 H 7.766334 7.047761 7.594093 5.925394 5.576775 32 H 7.824082 7.326851 8.097283 6.123509 5.389054 33 N 6.774991 5.928741 6.525412 4.587499 4.273448 34 H 6.314665 5.429438 6.016679 4.066955 3.840677 11 12 13 14 15 11 C 0.000000 12 H 4.355194 0.000000 13 H 4.790589 2.416605 0.000000 14 H 5.620249 2.452715 1.753809 0.000000 15 H 3.278006 4.210299 4.797921 6.078283 0.000000 16 C 2.492497 4.042799 4.250579 4.391159 5.239264 17 Cl 1.735313 5.987181 6.296948 7.029222 4.707745 18 H 4.502204 3.032816 1.766562 1.758464 5.648030 19 H 5.078232 2.246847 3.592100 2.501253 6.078621 20 H 2.560384 4.990494 5.302355 5.459839 5.686233 21 H 3.245182 3.727504 4.308113 4.042568 5.694819 22 N 3.389217 4.553968 3.966637 4.163431 5.896080 23 C 3.575719 5.618307 4.670155 5.241603 6.092770 24 C 5.036068 6.356651 4.937115 5.382222 7.242462 25 C 5.640569 6.348670 5.158128 5.084538 8.013912 26 C 4.734805 5.112903 4.391267 4.116464 7.138408 27 H 3.086610 5.415225 4.398535 5.311643 5.272908 28 H 3.715811 6.387193 5.681838 6.185972 6.569406 29 H 5.258285 6.074833 4.323631 4.939939 6.998259 30 H 5.684226 7.396114 5.931335 6.445768 7.942613 31 H 6.506887 6.626377 5.226661 4.990583 8.632410 32 H 6.112092 7.192838 6.184290 6.032754 8.752620 33 N 5.434399 5.058039 4.669154 3.906672 7.722333 34 H 5.060119 4.403907 4.482684 3.609953 7.260914 16 17 18 19 20 16 C 0.000000 17 Cl 3.091587 0.000000 18 H 3.104093 5.704737 0.000000 19 H 3.671853 6.342421 3.062588 0.000000 20 H 1.079099 2.518220 4.151862 4.537106 0.000000 21 H 1.070861 3.944209 3.093701 2.843543 1.733699 22 N 1.445572 3.874552 2.537802 4.190306 2.080210 23 C 2.502241 3.677456 3.497888 5.584573 2.718884 24 C 3.720782 5.189792 3.673672 6.189740 4.052784 25 C 3.695744 5.828510 3.556992 5.657254 4.056392 26 C 2.476528 5.145629 2.668398 4.238276 3.018603 27 H 2.819113 3.371753 3.620255 5.810244 3.103633 28 H 2.775429 3.300534 4.473678 6.217663 2.548174 29 H 4.153145 5.690731 3.314336 6.162644 4.686437 30 H 4.572823 5.573550 4.744485 7.253156 4.719540 31 H 4.529346 6.838224 3.677083 5.875395 5.013120 32 H 4.118625 6.015563 4.539783 6.317717 4.220977 33 N 3.000075 5.943460 2.927950 3.676676 3.565920 34 H 2.654270 5.700252 2.880402 2.824134 3.281910 21 22 23 24 25 21 H 0.000000 22 N 2.070451 0.000000 23 C 3.390566 1.458675 0.000000 24 C 4.390340 2.339061 1.528831 0.000000 25 C 4.025598 2.345780 2.388083 1.529398 0.000000 26 C 2.582323 1.391475 2.351812 2.402240 1.513462 27 H 3.804693 2.102955 1.082540 2.188959 3.329041 28 H 3.688985 2.109471 1.088618 2.177740 2.858003 29 H 4.784062 2.782424 2.153744 1.084865 2.163861 30 H 5.306773 3.279373 2.182812 1.082898 2.197365 31 H 4.718051 3.181631 3.329824 2.211451 1.081142 32 H 4.428016 2.948877 2.868884 2.172629 1.086136 33 N 2.619299 2.399390 3.577607 3.599654 2.431997 34 H 1.962737 2.553035 3.936149 4.273810 3.304976 26 27 28 29 30 26 C 0.000000 27 H 3.229749 0.000000 28 H 2.892882 1.753389 0.000000 29 H 2.887631 2.394000 3.038165 0.000000 30 H 3.331142 2.719798 2.420208 1.753974 0.000000 31 H 2.150755 4.152207 3.906134 2.428586 2.780574 32 H 2.116783 3.908256 2.938449 3.037961 2.423197 33 N 1.256788 4.410233 4.039867 3.986221 4.497100 34 H 1.894835 4.641850 4.378247 4.617213 5.223278 31 32 33 34 31 H 0.000000 32 H 1.749989 0.000000 33 N 2.681289 2.828460 0.000000 34 H 3.633528 3.706695 1.002562 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.110751 2.406698 -0.333174 2 6 0 0.915109 2.659650 0.758579 3 8 0 0.446909 2.306128 -1.612058 4 8 0 -3.760837 -1.612961 0.368757 5 6 0 -2.882734 -0.819459 0.236609 6 7 0 -3.023320 0.477805 0.670959 7 6 0 -2.126011 1.497601 0.560192 8 8 0 -2.380225 2.587915 0.988120 9 7 0 -0.937119 1.200096 -0.087242 10 6 0 -0.635185 -0.113511 -0.479412 11 6 0 -1.563081 -1.078133 -0.347705 12 1 0 -0.820800 3.213287 -0.326526 13 1 0 0.406595 2.774470 1.708399 14 1 0 1.440067 3.587316 0.547770 15 1 0 -3.885256 0.712858 1.116938 16 6 0 0.743680 -0.444178 -1.047341 17 17 0 -1.320081 -2.733595 -0.807821 18 1 0 1.636972 1.862515 0.827917 19 1 0 0.839372 3.140098 -1.838740 20 1 0 0.666181 -1.385665 -1.568926 21 1 0 1.007352 0.302394 -1.768348 22 7 0 1.765048 -0.523364 -0.027432 23 6 0 1.734394 -1.632828 0.919078 24 6 0 3.007415 -1.421946 1.738999 25 6 0 3.970470 -0.819686 0.714857 26 6 0 3.069690 -0.103710 -0.268272 27 1 0 0.836386 -1.599076 1.522680 28 1 0 1.748437 -2.589178 0.399188 29 1 0 2.815354 -0.717970 2.541783 30 1 0 3.368632 -2.342618 2.180082 31 1 0 4.704672 -0.142425 1.128540 32 1 0 4.504656 -1.595627 0.174255 33 7 0 3.508572 0.718454 -1.111447 34 1 0 2.795728 1.108140 -1.698923 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4649791 0.2962324 0.2150310 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1702.8312400378 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.59D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999998 0.000943 -0.001569 -0.000917 Ang= 0.23 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16033275 A.U. after 12 cycles NFock= 12 Conv=0.53D-08 -V/T= 2.0011 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 0.000168863 0.000085204 0.000307844 2 6 0.000136092 0.000021543 -0.000119627 3 8 0.000525859 -0.000338606 0.001104421 4 8 0.000700688 -0.000732270 0.000894288 5 6 -0.000796386 0.001313847 -0.001196340 6 7 -0.000354267 -0.000585791 0.001141362 7 6 0.002835941 -0.000488828 -0.001129245 8 8 -0.001972353 -0.000234488 -0.000110625 9 7 -0.001376388 0.000711105 -0.000361504 10 6 0.000136986 -0.000001057 -0.000328690 11 6 0.000618362 -0.000700085 0.000882133 12 1 -0.000299753 -0.000292192 -0.000148339 13 1 0.000040612 -0.000249737 -0.000124505 14 1 -0.000177088 0.000060810 -0.000042871 15 1 0.000097179 0.000024278 0.000066793 16 6 0.000438464 0.000158749 0.000131117 17 17 0.000329908 -0.000338223 0.000424910 18 1 0.000106572 0.000044066 0.000011793 19 1 -0.000584081 0.000674009 -0.000792544 20 1 -0.000067487 0.000320851 -0.000389737 21 1 -0.000558412 0.000307924 0.000080797 22 7 0.000102016 0.000468287 0.000034519 23 6 -0.000424657 0.000518273 0.000419696 24 6 -0.000398564 -0.000040509 -0.000373704 25 6 0.000085389 0.000321707 0.000113173 26 6 0.001445934 -0.001212257 -0.000325270 27 1 -0.000003616 -0.000323408 -0.000183325 28 1 -0.000004985 -0.000172861 0.000104667 29 1 0.000117411 -0.000153042 -0.000074437 30 1 0.000234377 0.000144522 0.000035504 31 1 -0.000055386 0.000007194 -0.000303500 32 1 0.000079582 0.000126663 -0.000005096 33 7 -0.000975346 0.000261135 0.000317890 34 1 -0.000151465 0.000293188 -0.000061549 ------------------------------------------------------------------- Cartesian Forces: Max 0.002835941 RMS 0.000599500 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001660765 RMS 0.000362727 Search for a local minimum. Step number 10 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 9 10 DE= -3.42D-04 DEPred=-4.01D-04 R= 8.51D-01 TightC=F SS= 1.41D+00 RLast= 1.35D-01 DXNew= 6.9708D-01 4.0460D-01 Trust test= 8.51D-01 RLast= 1.35D-01 DXMaxT set to 4.14D-01 ITU= 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00249 0.00296 0.00426 0.00761 0.00885 Eigenvalues --- 0.00972 0.01047 0.01112 0.01336 0.01402 Eigenvalues --- 0.01523 0.01798 0.02010 0.02157 0.02316 Eigenvalues --- 0.02431 0.02761 0.03247 0.03367 0.03694 Eigenvalues --- 0.04873 0.04937 0.05239 0.05335 0.05395 Eigenvalues --- 0.05765 0.05782 0.06074 0.06101 0.06455 Eigenvalues --- 0.06705 0.06719 0.07263 0.08293 0.08489 Eigenvalues --- 0.08580 0.09417 0.10109 0.10908 0.13489 Eigenvalues --- 0.15826 0.15988 0.15993 0.16009 0.16019 Eigenvalues --- 0.16680 0.18791 0.20093 0.20551 0.21006 Eigenvalues --- 0.22030 0.22795 0.23813 0.24684 0.24936 Eigenvalues --- 0.24972 0.25013 0.25232 0.26830 0.27681 Eigenvalues --- 0.28367 0.28460 0.28632 0.31620 0.32071 Eigenvalues --- 0.32374 0.33740 0.33806 0.33814 0.33831 Eigenvalues --- 0.33837 0.33859 0.33899 0.33955 0.33989 Eigenvalues --- 0.34407 0.34612 0.35352 0.36065 0.36362 Eigenvalues --- 0.37171 0.37350 0.39203 0.41113 0.42544 Eigenvalues --- 0.46832 0.48774 0.49088 0.49280 0.51221 Eigenvalues --- 0.56899 0.62878 0.76028 0.81668 0.89005 Eigenvalues --- 0.97494 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 RFO step: Lambda=-8.23624890D-05. DidBck=F Rises=F RFO-DIIS coefs: 0.93116 0.06684 0.00200 Iteration 1 RMS(Cart)= 0.00859018 RMS(Int)= 0.00002596 Iteration 2 RMS(Cart)= 0.00003336 RMS(Int)= 0.00000496 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000496 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87108 -0.00029 0.00003 -0.00100 -0.00097 2.87010 R2 2.64335 -0.00044 0.00004 -0.00052 -0.00049 2.64286 R3 2.80244 0.00005 -0.00001 0.00001 0.00000 2.80244 R4 2.03073 -0.00039 0.00007 -0.00065 -0.00059 2.03014 R5 2.04748 -0.00028 0.00004 -0.00067 -0.00063 2.04685 R6 2.05328 -0.00018 0.00002 -0.00044 -0.00041 2.05287 R7 2.03646 -0.00011 0.00002 0.00007 0.00009 2.03655 R8 1.79367 -0.00108 0.00009 -0.00154 -0.00145 1.79222 R9 2.25042 -0.00135 0.00007 -0.00136 -0.00130 2.24912 R10 2.59885 -0.00009 -0.00000 0.00037 0.00036 2.59921 R11 2.77077 0.00017 -0.00004 0.00068 0.00064 2.77141 R12 2.57545 -0.00061 0.00005 -0.00068 -0.00064 2.57481 R13 1.88696 0.00003 -0.00001 0.00008 0.00007 1.88704 R14 2.26494 -0.00164 0.00008 -0.00135 -0.00127 2.26367 R15 2.61926 -0.00071 0.00005 -0.00135 -0.00130 2.61796 R16 2.65271 -0.00087 0.00007 -0.00276 -0.00269 2.65003 R17 2.54155 -0.00166 0.00010 -0.00154 -0.00143 2.54012 R18 2.88649 -0.00105 0.00019 -0.00244 -0.00226 2.88424 R19 3.27927 -0.00034 0.00004 -0.00050 -0.00046 3.27881 R20 2.03920 0.00021 -0.00002 0.00017 0.00015 2.03935 R21 2.02363 -0.00064 0.00006 -0.00121 -0.00116 2.02248 R22 2.73173 -0.00031 -0.00015 -0.00034 -0.00048 2.73125 R23 2.75650 0.00030 -0.00012 0.00069 0.00056 2.75706 R24 2.62951 0.00018 -0.00017 0.00073 0.00055 2.63006 R25 2.88907 -0.00046 0.00004 -0.00123 -0.00118 2.88789 R26 2.04570 -0.00030 0.00005 -0.00073 -0.00067 2.04503 R27 2.05719 0.00000 0.00001 -0.00011 -0.00010 2.05709 R28 2.89014 -0.00005 -0.00012 -0.00018 -0.00030 2.88984 R29 2.05010 -0.00011 0.00003 -0.00023 -0.00020 2.04990 R30 2.04638 -0.00024 0.00004 -0.00057 -0.00054 2.04585 R31 2.86003 -0.00007 -0.00004 0.00023 0.00019 2.86022 R32 2.04306 -0.00030 0.00004 -0.00057 -0.00053 2.04253 R33 2.05250 -0.00014 0.00006 -0.00038 -0.00032 2.05218 R34 2.37498 -0.00122 0.00012 -0.00110 -0.00098 2.37400 R35 1.89457 -0.00000 -0.00001 0.00019 0.00019 1.89475 A1 1.98206 -0.00018 -0.00002 -0.00073 -0.00075 1.98131 A2 1.97420 0.00025 -0.00009 0.00046 0.00037 1.97456 A3 1.89308 0.00014 -0.00005 0.00139 0.00134 1.89442 A4 1.89154 0.00006 0.00003 0.00048 0.00052 1.89206 A5 1.89974 -0.00004 0.00017 -0.00030 -0.00012 1.89962 A6 1.81469 -0.00025 -0.00004 -0.00139 -0.00144 1.81325 A7 1.90782 -0.00006 0.00004 -0.00013 -0.00009 1.90773 A8 1.90599 0.00008 0.00001 0.00019 0.00020 1.90619 A9 1.95560 0.00003 -0.00001 -0.00006 -0.00006 1.95554 A10 1.88217 -0.00001 -0.00001 0.00016 0.00015 1.88232 A11 1.91385 0.00001 0.00002 0.00007 0.00009 1.91394 A12 1.89693 -0.00006 -0.00005 -0.00023 -0.00028 1.89665 A13 1.89655 -0.00009 0.00014 0.00029 0.00043 1.89698 A14 2.11544 0.00028 -0.00006 0.00068 0.00062 2.11605 A15 2.20225 0.00036 -0.00007 0.00128 0.00121 2.20346 A16 1.96523 -0.00064 0.00012 -0.00193 -0.00181 1.96342 A17 2.23047 0.00020 -0.00006 0.00125 0.00119 2.23166 A18 2.03907 0.00001 0.00002 -0.00008 -0.00006 2.03902 A19 2.01361 -0.00021 0.00004 -0.00118 -0.00114 2.01247 A20 2.10834 -0.00033 0.00006 -0.00016 -0.00006 2.10828 A21 2.02873 -0.00011 0.00003 -0.00074 -0.00068 2.02805 A22 2.14595 0.00046 -0.00016 0.00101 0.00088 2.14683 A23 1.96145 -0.00043 0.00001 -0.00067 -0.00066 1.96079 A24 2.20830 0.00035 -0.00010 -0.00006 -0.00016 2.20815 A25 2.11279 0.00007 0.00010 0.00069 0.00079 2.11358 A26 2.08911 0.00021 -0.00001 0.00056 0.00055 2.08966 A27 2.09511 0.00106 -0.00006 0.00020 0.00014 2.09525 A28 2.09896 -0.00127 0.00006 -0.00078 -0.00072 2.09824 A29 2.13346 0.00028 -0.00003 0.00041 0.00038 2.13385 A30 1.98232 0.00074 -0.00008 0.00115 0.00107 1.98339 A31 2.16717 -0.00102 0.00009 -0.00159 -0.00150 2.16567 A32 1.87943 -0.00036 0.00003 -0.00120 -0.00117 1.87826 A33 1.89830 0.00028 0.00007 0.00108 0.00115 1.89945 A34 1.96854 -0.00034 0.00011 -0.00238 -0.00227 1.96627 A35 1.87602 0.00002 -0.00004 0.00050 0.00046 1.87648 A36 1.92194 0.00033 -0.00020 0.00228 0.00209 1.92403 A37 1.91692 0.00007 0.00003 -0.00017 -0.00015 1.91678 A38 2.07674 -0.00005 0.00024 -0.00019 0.00006 2.07680 A39 2.12213 -0.00011 0.00034 -0.00091 -0.00056 2.12157 A40 1.94057 0.00013 0.00013 -0.00064 -0.00051 1.94006 A41 1.79834 -0.00005 -0.00002 -0.00117 -0.00120 1.79714 A42 1.93427 -0.00004 -0.00006 0.00002 -0.00003 1.93424 A43 1.93695 0.00003 0.00004 -0.00040 -0.00036 1.93659 A44 1.96861 0.00012 0.00001 0.00176 0.00177 1.97038 A45 1.94610 -0.00006 0.00002 -0.00063 -0.00061 1.94549 A46 1.88008 -0.00000 0.00002 0.00036 0.00037 1.88045 A47 1.79212 -0.00002 0.00004 -0.00065 -0.00060 1.79152 A48 1.91660 0.00004 0.00003 -0.00019 -0.00016 1.91644 A49 1.95943 -0.00002 -0.00002 0.00072 0.00070 1.96013 A50 1.92994 -0.00010 0.00002 -0.00131 -0.00129 1.92865 A51 1.97959 0.00008 -0.00011 0.00115 0.00104 1.98063 A52 1.88530 0.00000 0.00004 0.00019 0.00023 1.88552 A53 1.81986 0.00031 -0.00010 0.00033 0.00023 1.82009 A54 2.00213 0.00001 0.00014 0.00037 0.00051 2.00264 A55 1.94086 -0.00013 -0.00023 -0.00008 -0.00031 1.94055 A56 1.93520 -0.00019 0.00016 -0.00050 -0.00034 1.93486 A57 1.88322 -0.00006 0.00000 -0.00012 -0.00012 1.88310 A58 1.87966 0.00005 0.00002 -0.00004 -0.00001 1.87965 A59 1.87856 -0.00040 0.00003 -0.00113 -0.00111 1.87745 A60 2.26638 0.00035 0.00003 0.00093 0.00096 2.26734 A61 2.13819 0.00004 -0.00005 0.00018 0.00012 2.13832 A62 1.98134 -0.00063 0.00022 -0.00227 -0.00205 1.97929 D1 3.09276 -0.00007 0.00003 0.00064 0.00067 3.09343 D2 1.03741 -0.00007 0.00001 0.00041 0.00042 1.03783 D3 -1.06522 -0.00008 0.00007 0.00060 0.00067 -1.06454 D4 -1.02511 0.00008 -0.00001 0.00108 0.00107 -1.02404 D5 -3.08046 0.00008 -0.00004 0.00085 0.00082 -3.07964 D6 1.10010 0.00007 0.00003 0.00105 0.00107 1.10118 D7 0.97839 0.00000 -0.00015 0.00050 0.00036 0.97875 D8 -1.07696 -0.00000 -0.00017 0.00027 0.00010 -1.07685 D9 3.10360 -0.00001 -0.00011 0.00047 0.00036 3.10397 D10 -1.11559 -0.00021 0.00116 -0.01675 -0.01559 -1.13118 D11 2.95809 -0.00046 0.00127 -0.01720 -0.01593 2.94216 D12 0.99504 -0.00018 0.00122 -0.01567 -0.01445 0.98058 D13 1.63940 -0.00001 -0.00025 -0.00114 -0.00139 1.63801 D14 -1.54059 -0.00003 0.00000 -0.00225 -0.00225 -1.54284 D15 -2.42973 -0.00001 -0.00032 -0.00138 -0.00170 -2.43143 D16 0.67346 -0.00003 -0.00007 -0.00249 -0.00255 0.67091 D17 -0.41062 -0.00015 -0.00012 -0.00219 -0.00231 -0.41293 D18 2.69258 -0.00017 0.00013 -0.00329 -0.00316 2.68941 D19 -3.11146 0.00009 -0.00024 0.00286 0.00262 -3.10884 D20 0.02216 0.00004 -0.00003 0.00106 0.00103 0.02319 D21 0.05340 0.00017 0.00048 0.00142 0.00189 0.05529 D22 -3.09616 0.00011 0.00069 -0.00038 0.00030 -3.09586 D23 3.12125 0.00018 0.00091 0.00028 0.00119 3.12244 D24 -0.04255 0.00000 0.00019 -0.00123 -0.00104 -0.04359 D25 -0.04500 0.00009 0.00015 0.00180 0.00195 -0.04305 D26 3.07438 -0.00008 -0.00057 0.00029 -0.00027 3.07411 D27 -3.14003 0.00047 0.00309 0.00204 0.00512 -3.13492 D28 0.02047 -0.00043 -0.00168 -0.00431 -0.00599 0.01448 D29 0.00943 0.00053 0.00288 0.00381 0.00668 0.01612 D30 -3.11325 -0.00037 -0.00189 -0.00254 -0.00442 -3.11767 D31 2.99775 0.00038 0.00252 0.00292 0.00543 3.00318 D32 -0.10783 0.00039 0.00229 0.00397 0.00626 -0.10157 D33 -0.12448 -0.00053 -0.00236 -0.00357 -0.00593 -0.13042 D34 3.05313 -0.00052 -0.00259 -0.00251 -0.00511 3.04802 D35 -2.98391 -0.00012 -0.00207 0.00013 -0.00195 -2.98586 D36 0.16216 0.00004 -0.00098 0.00401 0.00302 0.16518 D37 0.11624 -0.00014 -0.00181 -0.00110 -0.00291 0.11333 D38 -3.02088 0.00001 -0.00072 0.00278 0.00207 -3.01881 D39 -0.03493 -0.00009 0.00052 -0.00184 -0.00132 -0.03625 D40 3.13127 0.00008 0.00131 -0.00021 0.00110 3.13237 D41 3.10218 -0.00024 -0.00057 -0.00573 -0.00630 3.09588 D42 -0.01480 -0.00007 0.00022 -0.00410 -0.00388 -0.01868 D43 -2.82575 -0.00003 0.00028 0.00384 0.00413 -2.82162 D44 -0.79775 -0.00005 0.00029 0.00435 0.00464 -0.79312 D45 1.33327 0.00002 0.00044 0.00331 0.00375 1.33703 D46 0.32034 0.00012 0.00138 0.00774 0.00912 0.32947 D47 2.34834 0.00010 0.00138 0.00825 0.00963 2.35797 D48 -1.80382 0.00017 0.00154 0.00721 0.00875 -1.79507 D49 1.21184 -0.00024 -0.00089 0.00186 0.00097 1.21281 D50 -2.52905 -0.00024 0.00052 -0.00162 -0.00110 -2.53015 D51 -0.88810 0.00022 -0.00086 0.00339 0.00253 -0.88558 D52 1.65419 0.00021 0.00056 -0.00009 0.00046 1.65465 D53 -2.95083 -0.00005 -0.00071 0.00150 0.00079 -2.95004 D54 -0.40854 -0.00006 0.00070 -0.00198 -0.00128 -0.40982 D55 3.06744 0.00002 0.00077 0.00363 0.00440 3.07184 D56 -1.10566 0.00011 0.00074 0.00503 0.00577 -1.09989 D57 0.98254 0.00010 0.00074 0.00523 0.00598 0.98852 D58 0.46723 0.00009 -0.00057 0.00688 0.00631 0.47353 D59 2.57731 0.00019 -0.00061 0.00828 0.00768 2.58499 D60 -1.61768 0.00017 -0.00060 0.00849 0.00789 -1.60979 D61 -2.73639 -0.00001 -0.00063 -0.00277 -0.00340 -2.73979 D62 0.41613 0.00002 -0.00073 -0.00012 -0.00085 0.41528 D63 -0.15242 -0.00007 0.00072 -0.00586 -0.00514 -0.15756 D64 3.00011 -0.00004 0.00061 -0.00321 -0.00259 2.99751 D65 -0.57661 0.00003 0.00017 -0.00482 -0.00465 -0.58126 D66 1.47668 -0.00007 0.00023 -0.00675 -0.00652 1.47016 D67 -2.70885 -0.00005 0.00029 -0.00617 -0.00589 -2.71474 D68 -2.66311 0.00005 0.00025 -0.00502 -0.00476 -2.66787 D69 -0.60982 -0.00005 0.00031 -0.00695 -0.00664 -0.61645 D70 1.48784 -0.00003 0.00037 -0.00637 -0.00600 1.48184 D71 1.50195 0.00001 0.00021 -0.00628 -0.00607 1.49588 D72 -2.72795 -0.00009 0.00027 -0.00821 -0.00794 -2.73589 D73 -0.63029 -0.00007 0.00033 -0.00763 -0.00730 -0.63759 D74 0.49319 0.00006 0.00024 0.00182 0.00205 0.49524 D75 2.61303 0.00004 0.00044 0.00164 0.00209 2.61512 D76 -1.53193 0.00001 0.00040 0.00181 0.00221 -1.52972 D77 -1.55063 0.00006 0.00017 0.00296 0.00313 -1.54749 D78 0.56922 0.00004 0.00038 0.00279 0.00317 0.57239 D79 2.70744 0.00001 0.00033 0.00296 0.00329 2.71073 D80 2.61171 0.00007 0.00018 0.00288 0.00306 2.61477 D81 -1.55162 0.00005 0.00038 0.00271 0.00309 -1.54853 D82 0.58660 0.00002 0.00034 0.00288 0.00321 0.58981 D83 -0.22784 0.00007 -0.00059 0.00248 0.00189 -0.22594 D84 2.90380 0.00005 -0.00049 0.00008 -0.00041 2.90339 D85 -2.39149 -0.00003 -0.00078 0.00210 0.00132 -2.39016 D86 0.74016 -0.00005 -0.00069 -0.00030 -0.00099 0.73917 D87 1.83716 0.00006 -0.00090 0.00250 0.00160 1.83876 D88 -1.31439 0.00003 -0.00081 0.00010 -0.00071 -1.31509 D89 -0.01894 0.00004 -0.00003 0.00002 -0.00001 -0.01896 D90 3.13500 0.00007 -0.00014 0.00301 0.00287 3.13787 Item Value Threshold Converged? Maximum Force 0.001661 0.000450 NO RMS Force 0.000363 0.000300 NO Maximum Displacement 0.034961 0.001800 NO RMS Displacement 0.008594 0.001200 NO Predicted change in Energy=-4.126986D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.627550 -5.038523 2.631209 2 6 0 6.290422 -5.093506 4.111093 3 8 0 6.882949 -6.293782 2.069945 4 8 0 3.347953 -2.189962 -0.700229 5 6 0 3.964931 -2.868511 0.058355 6 7 0 5.029187 -2.360592 0.766326 7 6 0 5.845314 -3.018793 1.636501 8 8 0 6.737743 -2.445675 2.193303 9 7 0 5.583345 -4.366686 1.820327 10 6 0 4.462153 -4.972991 1.235639 11 6 0 3.697381 -4.274364 0.378991 12 1 0 7.494444 -4.417466 2.501148 13 1 0 6.153948 -4.086119 4.484931 14 1 0 7.121210 -5.539233 4.650752 15 1 0 5.243100 -1.395106 0.627626 16 6 0 4.106425 -6.416373 1.581491 17 17 0 2.295540 -4.915078 -0.417751 18 1 0 5.403218 -5.674590 4.302506 19 1 0 7.664567 -6.652219 2.470019 20 1 0 3.444104 -6.782810 0.812282 21 1 0 4.997033 -7.008978 1.548825 22 7 0 3.482487 -6.540416 2.879278 23 6 0 2.134903 -6.014529 3.069188 24 6 0 1.805547 -6.425145 4.503876 25 6 0 2.539614 -7.758997 4.647258 26 6 0 3.709915 -7.645522 3.694162 27 1 0 2.116237 -4.942385 2.923312 28 1 0 1.440041 -6.458169 2.358327 29 1 0 2.207496 -5.693835 5.196928 30 1 0 0.739201 -6.498959 4.675666 31 1 0 2.879115 -7.983173 5.648630 32 1 0 1.918729 -8.586207 4.316274 33 7 0 4.679177 -8.444414 3.716790 34 1 0 5.376021 -8.244893 3.024023 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518793 0.000000 3 O 1.398543 2.440909 0.000000 4 O 5.474352 6.343304 6.083700 0.000000 5 C 4.291628 5.175248 4.928875 1.190185 0.000000 6 N 3.633713 4.499667 4.539367 2.237508 1.375444 7 C 2.383411 3.259780 3.462675 3.519101 2.459465 8 O 2.631875 3.299852 3.852822 4.464145 3.524952 9 N 1.482990 2.505161 2.337730 4.011023 2.822825 10 C 2.576986 3.409593 2.881113 3.568511 2.462125 11 C 3.773899 4.617731 4.133427 2.373088 1.466565 12 H 1.074306 2.120995 2.020007 5.692449 4.563328 13 H 2.137208 1.083148 3.352220 6.193133 5.086152 14 H 2.138449 1.086330 2.699384 7.354459 6.179398 15 H 4.382412 5.187445 5.363433 2.446748 2.031923 16 C 3.058832 3.594260 2.821827 4.862517 3.863584 17 Cl 5.298841 6.041635 5.397572 2.934898 2.683650 18 H 2.167211 1.077696 2.749060 6.433825 5.287302 19 H 1.924942 2.647826 0.948400 6.971037 5.815486 20 H 4.060217 4.673053 3.694119 4.836444 4.020124 21 H 2.777199 3.450667 2.083207 5.567820 4.519978 22 N 3.494087 3.390489 3.504139 5.635372 4.655453 23 C 4.618256 4.382030 4.860083 5.505207 4.723510 24 C 5.355494 4.694853 5.632165 6.884657 6.088944 25 C 5.308169 4.632589 5.258704 7.762937 6.856122 26 C 4.054492 3.653167 3.812273 7.014615 6.008657 27 H 4.521783 4.342521 5.027530 4.714128 3.990814 28 H 5.385175 5.334856 5.453021 5.586813 4.954854 29 H 5.152594 4.267285 5.656662 6.953720 6.121761 30 H 6.401979 5.754138 6.676640 7.367040 6.701122 31 H 5.641504 4.727707 5.629540 8.607503 7.654406 32 H 6.131762 5.599354 5.911403 8.253480 7.416795 33 N 4.071209 3.739007 3.491981 7.771769 6.707085 34 H 3.464309 3.456746 2.643469 7.392245 6.300146 6 7 8 9 10 6 N 0.000000 7 C 1.362533 0.000000 8 O 2.227705 1.197883 0.000000 9 N 2.332901 1.385365 2.272010 0.000000 10 C 2.714114 2.427491 3.533095 1.402333 0.000000 11 C 2.363527 2.787724 3.984926 2.375465 1.344173 12 H 3.649361 2.328848 2.134321 2.029383 3.332403 13 H 4.250948 3.057449 2.878095 2.739419 3.769166 14 H 5.437747 4.131131 3.969409 3.428002 4.365113 15 H 0.998578 2.004207 2.406033 3.220029 3.712252 16 C 4.238554 3.817108 4.802561 2.537627 1.526272 17 Cl 3.924317 4.518489 5.713906 4.014896 2.726035 18 H 4.860767 3.788969 4.081125 2.811453 3.283827 19 H 5.316565 4.148038 4.316317 3.158678 3.820858 20 H 4.697937 4.540151 5.618364 3.380852 2.119221 21 H 4.713898 4.080300 4.926374 2.720144 2.128245 22 N 4.932320 4.419194 5.275809 3.203137 2.473483 23 C 5.199165 4.979375 5.889824 4.020795 3.140509 24 C 6.393882 6.012054 6.745479 5.070547 4.455073 25 C 7.099465 6.516276 7.202609 5.363172 4.805948 26 C 6.184108 5.495500 6.201510 4.215656 3.708452 27 H 4.450115 4.388862 5.303282 3.683591 2.890069 28 H 5.675084 5.635315 6.647781 4.672335 3.549555 29 H 6.221148 5.750323 6.332096 4.955715 4.614640 30 H 7.128324 6.886252 7.653349 6.013757 5.293651 31 H 7.750686 7.038508 7.582360 5.920113 5.571507 32 H 7.812513 7.320885 8.089254 6.120745 5.386525 33 N 6.770572 5.926622 6.522545 4.587152 4.272469 34 H 6.312091 5.427483 6.014592 4.066000 3.839116 11 12 13 14 15 11 C 0.000000 12 H 4.352208 0.000000 13 H 4.788413 2.417047 0.000000 14 H 5.618757 2.453256 1.753463 0.000000 15 H 3.277376 4.208716 4.790615 6.073436 0.000000 16 C 2.490285 4.039811 4.248812 4.390748 5.235934 17 Cl 1.735071 5.982992 6.293710 7.026121 4.708622 18 H 4.501609 3.032899 1.766384 1.758150 5.643081 19 H 5.075939 2.241435 3.595374 2.507902 6.074138 20 H 2.558161 4.985216 5.301296 5.459069 5.683118 21 H 3.245877 3.722891 4.301427 4.036610 5.694270 22 N 3.381214 4.554745 3.967165 4.169027 5.885908 23 C 3.564642 5.621206 4.677159 5.252666 6.079571 24 C 5.021909 6.356512 4.937610 5.390981 7.221037 25 C 5.630382 6.349958 5.155560 5.091010 7.997837 26 C 4.728131 5.115299 4.389528 4.121704 7.128955 27 H 3.069176 5.420229 4.413044 5.328230 5.256485 28 H 3.712460 6.390670 5.689463 6.194782 6.564540 29 H 5.239005 6.070269 4.320437 4.946392 6.969396 30 H 5.671073 7.395570 5.931076 6.453815 7.919662 31 H 6.495684 6.627381 5.221662 4.996396 8.614031 32 H 6.103916 7.194559 6.181934 6.038354 8.738964 33 N 5.430851 5.061604 4.664733 3.908438 7.717104 34 H 5.057580 4.405714 4.476028 3.607288 7.258096 16 17 18 19 20 16 C 0.000000 17 Cl 3.087095 0.000000 18 H 3.104165 5.702223 0.000000 19 H 3.674981 6.339032 3.070418 0.000000 20 H 1.079178 2.514081 4.153064 4.536238 0.000000 21 H 1.070248 3.943337 3.086800 2.844576 1.733561 22 N 1.445316 3.862767 2.542526 4.203545 2.081514 23 C 2.502322 3.659692 3.509774 5.598467 2.719906 24 C 3.719469 5.171345 3.680642 6.206147 4.054708 25 C 3.695466 5.813929 3.558629 5.677190 4.059321 26 C 2.476168 5.134551 2.668695 4.257282 3.019960 27 H 2.816731 3.345982 3.639031 5.823485 3.099491 28 H 2.777557 3.289319 4.483370 6.228552 2.551845 29 H 4.147213 5.669113 3.318585 6.175287 4.684035 30 H 4.573722 5.556417 4.750989 7.269737 4.724702 31 H 4.527999 6.823104 3.675963 5.897081 5.015012 32 H 4.119858 6.002513 4.540855 6.337478 4.225751 33 N 3.000084 5.935686 2.922196 3.698508 3.566861 34 H 2.652595 5.694105 2.870839 2.842706 3.280516 21 22 23 24 25 21 H 0.000000 22 N 2.069663 0.000000 23 C 3.390017 1.458974 0.000000 24 C 4.388481 2.337677 1.528205 0.000000 25 C 4.025137 2.345145 2.386894 1.529240 0.000000 26 C 2.581536 1.391768 2.351891 2.402410 1.513564 27 H 3.802500 2.102923 1.082184 2.189358 3.329346 28 H 3.689292 2.109441 1.088565 2.176710 2.853142 29 H 4.777004 2.777374 2.152996 1.084758 2.162715 30 H 5.307201 3.279382 2.182528 1.082615 2.197724 31 H 4.716252 3.180395 3.329103 2.211438 1.080861 32 H 4.429715 2.948823 2.866266 2.172140 1.085967 33 N 2.619462 2.399729 3.577297 3.599263 2.431727 34 H 1.961460 2.551795 3.934641 4.271970 3.303966 26 27 28 29 30 26 C 0.000000 27 H 3.231249 0.000000 28 H 2.889047 1.753297 0.000000 29 H 2.885247 2.396317 3.038232 0.000000 30 H 3.332132 2.718436 2.421343 1.753805 0.000000 31 H 2.150391 4.154002 3.901623 2.428204 2.780069 32 H 2.116662 3.905994 2.931082 3.037228 2.424264 33 N 1.256268 4.411630 4.035169 3.983177 4.497516 34 H 1.893209 4.641432 4.373496 4.611829 5.222673 31 32 33 34 31 H 0.000000 32 H 1.749618 0.000000 33 N 2.680479 2.828349 0.000000 34 H 3.632024 3.706653 1.002660 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.115353 2.409347 -0.334350 2 6 0 0.909621 2.664363 0.757038 3 8 0 0.443171 2.311868 -1.612815 4 8 0 -3.750988 -1.621620 0.374171 5 6 0 -2.876446 -0.825712 0.239089 6 7 0 -3.018441 0.471050 0.675085 7 6 0 -2.126646 1.494675 0.559363 8 8 0 -2.380639 2.581478 0.994415 9 7 0 -0.938571 1.200361 -0.089554 10 6 0 -0.634512 -0.110316 -0.484790 11 6 0 -1.558109 -1.077839 -0.351868 12 1 0 -0.828570 3.212721 -0.327682 13 1 0 0.401092 2.776004 1.706851 14 1 0 1.431384 3.593845 0.547426 15 1 0 -3.878665 0.703281 1.125909 16 6 0 0.744324 -0.437178 -1.051781 17 17 0 -1.308104 -2.731046 -0.815415 18 1 0 1.634355 1.869648 0.824981 19 1 0 0.820725 3.150528 -1.844255 20 1 0 0.666477 -1.375345 -1.579425 21 1 0 1.010611 0.313354 -1.766780 22 7 0 1.761384 -0.522017 -0.028390 23 6 0 1.727959 -1.637823 0.911006 24 6 0 2.993911 -1.425919 1.740386 25 6 0 3.962505 -0.819842 0.723986 26 6 0 3.067272 -0.101563 -0.262679 27 1 0 0.825009 -1.612081 1.506942 28 1 0 1.751153 -2.590544 0.384928 29 1 0 2.794797 -0.722463 2.541762 30 1 0 3.353567 -2.345836 2.183619 31 1 0 4.693646 -0.143308 1.143503 32 1 0 4.500265 -1.593828 0.184464 33 7 0 3.510399 0.723426 -1.100081 34 1 0 2.799009 1.115090 -1.688172 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4643684 0.2971579 0.2155111 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.6712018809 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.57D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999999 -0.000833 0.000449 -0.000637 Ang= -0.13 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16038862 A.U. after 11 cycles NFock= 11 Conv=0.75D-08 -V/T= 2.0011 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 0.000133305 0.000042940 0.000013579 2 6 -0.000022667 0.000008907 -0.000022959 3 8 -0.000034975 -0.000237292 0.000576276 4 8 -0.000005503 -0.000097622 0.000236265 5 6 0.000138927 0.000127303 -0.000467849 6 7 -0.000177315 -0.000032213 0.000408960 7 6 0.000548710 -0.000235260 -0.000240481 8 8 -0.000376246 0.000069497 -0.000075253 9 7 -0.000240328 0.000287855 -0.000143171 10 6 -0.000034974 -0.000014074 -0.000074810 11 6 0.000055883 -0.000060413 0.000238944 12 1 0.000006342 -0.000212025 0.000062275 13 1 -0.000013475 -0.000051789 0.000003601 14 1 -0.000057962 -0.000005503 -0.000011833 15 1 0.000039097 0.000009583 0.000007939 16 6 0.000201619 0.000005352 -0.000033446 17 17 0.000115924 -0.000127012 0.000066974 18 1 0.000112894 0.000050498 -0.000006828 19 1 0.000083978 0.000350334 -0.000414024 20 1 -0.000060375 0.000056284 -0.000140917 21 1 -0.000239110 0.000034499 0.000015131 22 7 0.000039237 0.000214226 -0.000098897 23 6 -0.000177203 0.000142679 0.000349602 24 6 -0.000159614 0.000035263 -0.000147889 25 6 -0.000019418 0.000095736 -0.000114861 26 6 0.000487252 -0.000370008 0.000168379 27 1 -0.000026713 -0.000146543 -0.000079376 28 1 -0.000052283 -0.000110835 0.000057010 29 1 0.000065860 0.000001317 -0.000032984 30 1 0.000038470 0.000042472 0.000053349 31 1 -0.000018667 -0.000004839 -0.000093723 32 1 -0.000018230 -0.000004290 -0.000013437 33 7 -0.000300123 0.000109942 -0.000027464 34 1 -0.000032318 0.000025029 -0.000018085 ------------------------------------------------------------------- Cartesian Forces: Max 0.000576276 RMS 0.000175485 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000715998 RMS 0.000130772 Search for a local minimum. Step number 11 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 7 8 9 10 11 DE= -5.59D-05 DEPred=-4.13D-05 R= 1.35D+00 TightC=F SS= 1.41D+00 RLast= 4.73D-02 DXNew= 6.9708D-01 1.4182D-01 Trust test= 1.35D+00 RLast= 4.73D-02 DXMaxT set to 4.14D-01 ITU= 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00248 0.00297 0.00406 0.00527 0.00862 Eigenvalues --- 0.00974 0.01043 0.01122 0.01169 0.01344 Eigenvalues --- 0.01538 0.01810 0.02011 0.02203 0.02309 Eigenvalues --- 0.02436 0.02762 0.03252 0.03375 0.03699 Eigenvalues --- 0.04870 0.04933 0.05235 0.05339 0.05391 Eigenvalues --- 0.05761 0.05778 0.05923 0.06117 0.06430 Eigenvalues --- 0.06701 0.06715 0.07243 0.08305 0.08490 Eigenvalues --- 0.08585 0.09355 0.10119 0.10920 0.13434 Eigenvalues --- 0.15895 0.15983 0.15992 0.16017 0.16061 Eigenvalues --- 0.16720 0.18786 0.20081 0.20748 0.21175 Eigenvalues --- 0.21991 0.22732 0.23785 0.24698 0.24930 Eigenvalues --- 0.24977 0.25180 0.25240 0.26865 0.27596 Eigenvalues --- 0.28355 0.28479 0.28841 0.31680 0.32066 Eigenvalues --- 0.32432 0.33735 0.33797 0.33811 0.33832 Eigenvalues --- 0.33839 0.33880 0.33897 0.33946 0.34172 Eigenvalues --- 0.34415 0.34685 0.35684 0.36079 0.36439 Eigenvalues --- 0.37038 0.37353 0.38987 0.41139 0.42501 Eigenvalues --- 0.46868 0.48771 0.49229 0.49366 0.51964 Eigenvalues --- 0.56904 0.63044 0.76508 0.82302 0.88576 Eigenvalues --- 0.93555 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 RFO step: Lambda=-6.44088850D-05. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.72176 -0.21780 -0.06044 Iteration 1 RMS(Cart)= 0.01497156 RMS(Int)= 0.00021796 Iteration 2 RMS(Cart)= 0.00021767 RMS(Int)= 0.00003182 Iteration 3 RMS(Cart)= 0.00000008 RMS(Int)= 0.00003182 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87010 -0.00004 -0.00193 0.00121 -0.00071 2.86939 R2 2.64286 -0.00016 -0.00085 0.00065 -0.00020 2.64267 R3 2.80244 0.00028 -0.00007 0.00098 0.00091 2.80336 R4 2.03014 -0.00012 -0.00125 0.00068 -0.00057 2.02957 R5 2.04685 -0.00005 -0.00126 0.00090 -0.00036 2.04649 R6 2.05287 -0.00005 -0.00084 0.00045 -0.00039 2.05247 R7 2.03655 -0.00012 0.00011 -0.00045 -0.00034 2.03621 R8 1.79222 -0.00024 -0.00298 0.00190 -0.00107 1.79114 R9 2.24912 -0.00020 -0.00260 0.00195 -0.00065 2.24847 R10 2.59921 -0.00006 0.00059 -0.00072 -0.00012 2.59909 R11 2.77141 -0.00002 0.00142 -0.00095 0.00045 2.77186 R12 2.57481 -0.00015 -0.00125 0.00098 -0.00026 2.57456 R13 1.88704 0.00002 0.00016 -0.00008 0.00008 1.88712 R14 2.26367 -0.00028 -0.00260 0.00188 -0.00072 2.26295 R15 2.61796 -0.00007 -0.00271 0.00165 -0.00105 2.61691 R16 2.65003 0.00017 -0.00513 0.00443 -0.00071 2.64931 R17 2.54012 -0.00036 -0.00305 0.00221 -0.00086 2.53926 R18 2.88424 -0.00009 -0.00499 0.00390 -0.00109 2.88314 R19 3.27881 -0.00008 -0.00099 0.00073 -0.00026 3.27855 R20 2.03935 0.00012 0.00036 -0.00010 0.00025 2.03961 R21 2.02248 -0.00022 -0.00231 0.00128 -0.00103 2.02145 R22 2.73125 0.00007 -0.00003 0.00118 0.00114 2.73239 R23 2.75706 0.00025 0.00160 0.00031 0.00194 2.75900 R24 2.63006 0.00013 0.00229 0.00019 0.00249 2.63255 R25 2.88789 -0.00022 -0.00234 0.00033 -0.00201 2.88587 R26 2.04503 -0.00013 -0.00142 0.00042 -0.00100 2.04403 R27 2.05709 0.00004 -0.00022 0.00039 0.00017 2.05726 R28 2.88984 -0.00000 -0.00002 -0.00002 -0.00006 2.88978 R29 2.04990 0.00000 -0.00050 0.00046 -0.00005 2.04985 R30 2.04585 -0.00003 -0.00113 0.00082 -0.00030 2.04554 R31 2.86022 -0.00001 0.00055 -0.00009 0.00044 2.86067 R32 2.04253 -0.00009 -0.00105 0.00060 -0.00044 2.04209 R33 2.05218 0.00002 -0.00087 0.00075 -0.00011 2.05206 R34 2.37400 -0.00034 -0.00236 0.00113 -0.00123 2.37277 R35 1.89475 -0.00000 0.00038 -0.00019 0.00019 1.89494 A1 1.98131 -0.00006 -0.00143 0.00024 -0.00119 1.98012 A2 1.97456 0.00007 0.00112 0.00016 0.00128 1.97584 A3 1.89442 0.00002 0.00264 -0.00183 0.00081 1.89523 A4 1.89206 0.00009 0.00086 -0.00007 0.00079 1.89284 A5 1.89962 -0.00008 -0.00074 -0.00070 -0.00143 1.89818 A6 1.81325 -0.00005 -0.00262 0.00233 -0.00029 1.81296 A7 1.90773 0.00004 -0.00033 0.00118 0.00085 1.90858 A8 1.90619 0.00002 0.00024 -0.00033 -0.00010 1.90610 A9 1.95554 0.00000 -0.00009 -0.00043 -0.00052 1.95501 A10 1.88232 -0.00001 0.00036 0.00016 0.00052 1.88284 A11 1.91394 -0.00002 0.00004 -0.00020 -0.00016 1.91378 A12 1.89665 -0.00003 -0.00019 -0.00037 -0.00056 1.89609 A13 1.89698 -0.00011 0.00038 -0.00088 -0.00050 1.89648 A14 2.11605 0.00010 0.00139 -0.00048 0.00088 2.11694 A15 2.20346 0.00003 0.00242 -0.00216 0.00024 2.20370 A16 1.96342 -0.00014 -0.00371 0.00235 -0.00138 1.96204 A17 2.23166 0.00005 0.00236 -0.00169 0.00069 2.23235 A18 2.03902 0.00001 -0.00014 0.00043 0.00027 2.03928 A19 2.01247 -0.00006 -0.00225 0.00124 -0.00103 2.01145 A20 2.10828 -0.00025 -0.00020 -0.00075 -0.00112 2.10716 A21 2.02805 0.00007 -0.00137 0.00127 -0.00022 2.02782 A22 2.14683 0.00018 0.00208 -0.00053 0.00137 2.14820 A23 1.96079 -0.00030 -0.00123 0.00083 -0.00041 1.96038 A24 2.20815 0.00043 -0.00004 0.00022 0.00016 2.20830 A25 2.11358 -0.00013 0.00116 -0.00112 0.00005 2.11363 A26 2.08966 -0.00002 0.00104 -0.00114 -0.00012 2.08954 A27 2.09525 0.00072 0.00010 0.00048 0.00058 2.09583 A28 2.09824 -0.00069 -0.00116 0.00069 -0.00048 2.09775 A29 2.13385 0.00017 0.00076 -0.00028 0.00046 2.13430 A30 1.98339 0.00018 0.00228 -0.00178 0.00051 1.98390 A31 2.16567 -0.00034 -0.00308 0.00210 -0.00098 2.16470 A32 1.87826 -0.00015 -0.00190 0.00166 -0.00024 1.87802 A33 1.89945 0.00012 0.00193 0.00013 0.00206 1.90151 A34 1.96627 0.00002 -0.00515 0.00298 -0.00217 1.96411 A35 1.87648 -0.00000 0.00110 -0.00128 -0.00017 1.87631 A36 1.92403 0.00005 0.00445 -0.00301 0.00144 1.92547 A37 1.91678 -0.00004 -0.00021 -0.00061 -0.00082 1.91596 A38 2.07680 0.00019 -0.00186 0.00217 0.00012 2.07692 A39 2.12157 -0.00011 -0.00320 0.00011 -0.00326 2.11830 A40 1.94006 -0.00009 -0.00201 -0.00132 -0.00348 1.93658 A41 1.79714 0.00009 -0.00201 0.00129 -0.00073 1.79641 A42 1.93424 -0.00005 0.00009 0.00020 0.00028 1.93452 A43 1.93659 0.00001 -0.00093 0.00053 -0.00039 1.93620 A44 1.97038 0.00003 0.00327 -0.00083 0.00244 1.97282 A45 1.94549 -0.00009 -0.00124 -0.00098 -0.00222 1.94327 A46 1.88045 0.00002 0.00069 -0.00015 0.00054 1.88099 A47 1.79152 -0.00007 -0.00099 -0.00111 -0.00216 1.78936 A48 1.91644 0.00002 -0.00035 -0.00009 -0.00044 1.91600 A49 1.96013 0.00003 0.00126 0.00023 0.00152 1.96164 A50 1.92865 0.00002 -0.00258 0.00172 -0.00084 1.92780 A51 1.98063 0.00002 0.00228 -0.00102 0.00127 1.98190 A52 1.88552 -0.00001 0.00022 0.00029 0.00050 1.88602 A53 1.82009 0.00015 0.00093 -0.00056 0.00032 1.82041 A54 2.00264 -0.00001 0.00004 -0.00033 -0.00027 2.00237 A55 1.94055 -0.00006 0.00069 -0.00030 0.00038 1.94093 A56 1.93486 -0.00011 -0.00143 0.00030 -0.00111 1.93375 A57 1.88310 -0.00000 -0.00001 0.00096 0.00095 1.88406 A58 1.87965 0.00002 -0.00021 0.00002 -0.00019 1.87946 A59 1.87745 -0.00011 -0.00182 0.00098 -0.00085 1.87661 A60 2.26734 0.00006 0.00135 -0.00119 0.00016 2.26750 A61 2.13832 0.00005 0.00041 0.00030 0.00071 2.13902 A62 1.97929 -0.00008 -0.00437 0.00416 -0.00021 1.97908 D1 3.09343 -0.00008 0.00116 0.00067 0.00183 3.09526 D2 1.03783 -0.00010 0.00078 -0.00002 0.00076 1.03859 D3 -1.06454 -0.00008 0.00092 0.00095 0.00187 -1.06267 D4 -1.02404 0.00005 0.00209 0.00089 0.00298 -1.02106 D5 -3.07964 0.00003 0.00171 0.00021 0.00191 -3.07773 D6 1.10118 0.00006 0.00184 0.00118 0.00302 1.10419 D7 0.97875 0.00004 0.00116 0.00270 0.00385 0.98260 D8 -1.07685 0.00002 0.00078 0.00201 0.00279 -1.07407 D9 3.10397 0.00005 0.00091 0.00298 0.00389 3.10786 D10 -1.13118 -0.00021 -0.03742 -0.01389 -0.05132 -1.18250 D11 2.94216 -0.00034 -0.03852 -0.01423 -0.05275 2.88941 D12 0.98058 -0.00028 -0.03553 -0.01656 -0.05209 0.92850 D13 1.63801 -0.00002 -0.00163 -0.00097 -0.00260 1.63541 D14 -1.54284 -0.00003 -0.00498 -0.00313 -0.00811 -1.55095 D15 -2.43143 0.00003 -0.00201 -0.00059 -0.00260 -2.43403 D16 0.67091 0.00002 -0.00535 -0.00276 -0.00811 0.66280 D17 -0.41293 -0.00005 -0.00375 -0.00028 -0.00403 -0.41696 D18 2.68941 -0.00006 -0.00710 -0.00245 -0.00954 2.67987 D19 -3.10884 -0.00000 0.00635 -0.00569 0.00066 -3.10817 D20 0.02319 -0.00007 0.00228 -0.00852 -0.00624 0.01695 D21 0.05529 0.00012 0.00280 0.00742 0.01022 0.06551 D22 -3.09586 0.00006 -0.00127 0.00459 0.00332 -3.09255 D23 3.12244 0.00011 -0.00059 0.00889 0.00830 3.13074 D24 -0.04359 0.00010 -0.00290 0.01103 0.00813 -0.03546 D25 -0.04305 -0.00002 0.00315 -0.00497 -0.00182 -0.04487 D26 3.07411 -0.00004 0.00084 -0.00283 -0.00199 3.07212 D27 -3.13492 0.00004 0.00007 -0.00500 -0.00492 -3.13984 D28 0.01448 -0.00014 -0.00682 -0.00389 -0.01071 0.00377 D29 0.01612 0.00010 0.00408 -0.00220 0.00188 0.01800 D30 -3.11767 -0.00008 -0.00281 -0.00109 -0.00391 -3.12158 D31 3.00318 0.00007 0.00166 -0.00439 -0.00274 3.00044 D32 -0.10157 0.00007 0.00482 -0.00239 0.00243 -0.09914 D33 -0.13042 -0.00012 -0.00542 -0.00325 -0.00866 -0.13908 D34 3.04802 -0.00011 -0.00225 -0.00125 -0.00350 3.04452 D35 -2.98586 0.00003 0.00422 0.00655 0.01077 -2.97509 D36 0.16518 0.00006 0.01080 0.00262 0.01342 0.17860 D37 0.11333 0.00001 0.00055 0.00425 0.00481 0.11814 D38 -3.01881 0.00004 0.00714 0.00032 0.00746 -3.01136 D39 -0.03625 -0.00004 -0.00457 -0.00042 -0.00499 -0.04124 D40 3.13237 -0.00003 -0.00209 -0.00273 -0.00482 3.12755 D41 3.09588 -0.00006 -0.01115 0.00352 -0.00763 3.08825 D42 -0.01868 -0.00005 -0.00867 0.00121 -0.00747 -0.02615 D43 -2.82162 -0.00001 0.00633 -0.00453 0.00180 -2.81982 D44 -0.79312 -0.00002 0.00763 -0.00508 0.00255 -0.79057 D45 1.33703 0.00003 0.00531 -0.00379 0.00152 1.33855 D46 0.32947 0.00002 0.01294 -0.00847 0.00446 0.33393 D47 2.35797 0.00000 0.01423 -0.00902 0.00521 2.36318 D48 -1.79507 0.00005 0.01191 -0.00773 0.00418 -1.79089 D49 1.21281 -0.00009 0.00767 0.00013 0.00776 1.22057 D50 -2.53015 -0.00013 -0.00722 0.00153 -0.00567 -2.53582 D51 -0.88558 0.00006 0.01042 -0.00189 0.00851 -0.87707 D52 1.65465 0.00001 -0.00446 -0.00049 -0.00492 1.64973 D53 -2.95004 0.00006 0.00649 0.00188 0.00835 -2.94170 D54 -0.40982 0.00001 -0.00839 0.00328 -0.00508 -0.41490 D55 3.07184 -0.00001 0.00162 -0.00102 0.00060 3.07244 D56 -1.09989 0.00004 0.00435 -0.00115 0.00320 -1.09669 D57 0.98852 0.00004 0.00467 -0.00086 0.00381 0.99233 D58 0.47353 0.00004 0.01543 -0.00260 0.01282 0.48635 D59 2.58499 0.00010 0.01816 -0.00273 0.01542 2.60041 D60 -1.60979 0.00010 0.01848 -0.00244 0.01603 -1.59376 D61 -2.73979 -0.00003 -0.00126 0.00275 0.00149 -2.73830 D62 0.41528 -0.00008 0.00438 -0.00502 -0.00065 0.41463 D63 -0.15756 0.00001 -0.01498 0.00510 -0.00985 -0.16741 D64 2.99751 -0.00003 -0.00934 -0.00267 -0.01199 2.98552 D65 -0.58126 -0.00003 -0.00914 -0.00099 -0.01015 -0.59141 D66 1.47016 -0.00003 -0.01279 0.00037 -0.01244 1.45772 D67 -2.71474 -0.00002 -0.01193 0.00081 -0.01112 -2.72586 D68 -2.66787 -0.00003 -0.00966 -0.00160 -0.01127 -2.67914 D69 -0.61645 -0.00004 -0.01331 -0.00024 -0.01356 -0.63001 D70 1.48184 -0.00002 -0.01245 0.00020 -0.01224 1.46960 D71 1.49588 -0.00001 -0.01200 -0.00009 -0.01210 1.48378 D72 -2.73589 -0.00002 -0.01565 0.00127 -0.01439 -2.75027 D73 -0.63759 -0.00000 -0.01479 0.00171 -0.01307 -0.65066 D74 0.49524 0.00006 0.00114 0.00327 0.00440 0.49964 D75 2.61512 0.00003 0.00003 0.00306 0.00308 2.61820 D76 -1.52972 0.00000 0.00032 0.00260 0.00293 -1.52679 D77 -1.54749 0.00007 0.00323 0.00321 0.00643 -1.54106 D78 0.57239 0.00004 0.00211 0.00300 0.00511 0.57750 D79 2.71073 0.00001 0.00241 0.00254 0.00496 2.71569 D80 2.61477 0.00005 0.00324 0.00229 0.00551 2.62028 D81 -1.54853 0.00002 0.00213 0.00208 0.00419 -1.54434 D82 0.58981 -0.00000 0.00242 0.00162 0.00404 0.59385 D83 -0.22594 -0.00001 0.00851 -0.00524 0.00329 -0.22265 D84 2.90339 0.00003 0.00340 0.00182 0.00523 2.90862 D85 -2.39016 -0.00004 0.00869 -0.00466 0.00404 -2.38612 D86 0.73917 0.00000 0.00357 0.00240 0.00598 0.74515 D87 1.83876 -0.00000 0.00976 -0.00543 0.00433 1.84309 D88 -1.31509 0.00004 0.00464 0.00163 0.00627 -1.30883 D89 -0.01896 0.00001 0.00007 0.00213 0.00220 -0.01676 D90 3.13787 -0.00004 0.00645 -0.00666 -0.00021 3.13766 Item Value Threshold Converged? Maximum Force 0.000716 0.000450 NO RMS Force 0.000131 0.000300 YES Maximum Displacement 0.087529 0.001800 NO RMS Displacement 0.014968 0.001200 NO Predicted change in Energy=-3.198166D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.635624 -5.038595 2.627664 2 6 0 6.310027 -5.097932 4.109572 3 8 0 6.890928 -6.292357 2.063277 4 8 0 3.340888 -2.193590 -0.691024 5 6 0 3.962744 -2.872268 0.062906 6 7 0 5.019847 -2.360759 0.778839 7 6 0 5.840719 -3.018522 1.644659 8 8 0 6.728088 -2.441465 2.204652 9 7 0 5.584304 -4.367441 1.824564 10 6 0 4.465740 -4.976445 1.238548 11 6 0 3.701485 -4.280330 0.380112 12 1 0 7.500233 -4.416133 2.491754 13 1 0 6.170856 -4.092454 4.486987 14 1 0 7.146672 -5.541065 4.641846 15 1 0 5.228314 -1.393213 0.646007 16 6 0 4.109769 -6.418502 1.587116 17 17 0 2.306753 -4.928048 -0.423116 18 1 0 5.427512 -5.684117 4.306040 19 1 0 7.700779 -6.627950 2.423700 20 1 0 3.451486 -6.787815 0.815632 21 1 0 4.999561 -7.011721 1.561988 22 7 0 3.479896 -6.535989 2.883319 23 6 0 2.126838 -6.017551 3.062351 24 6 0 1.794824 -6.417850 4.498207 25 6 0 2.526707 -7.752146 4.648106 26 6 0 3.701423 -7.642937 3.699579 27 1 0 2.100594 -4.947815 2.904373 28 1 0 1.438090 -6.475038 2.354182 29 1 0 2.199665 -5.683969 5.186808 30 1 0 0.728496 -6.487593 4.670796 31 1 0 2.862714 -7.973218 5.651092 32 1 0 1.906032 -8.579856 4.318181 33 7 0 4.666719 -8.445537 3.724279 34 1 0 5.366675 -8.247781 3.034004 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518416 0.000000 3 O 1.398439 2.439553 0.000000 4 O 5.473849 6.347969 6.081846 0.000000 5 C 4.291298 5.180619 4.926738 1.189840 0.000000 6 N 3.633139 4.500051 4.539624 2.237710 1.375379 7 C 2.383038 3.258833 3.463549 3.519245 2.459699 8 O 2.632978 3.295499 3.856925 4.463127 3.524172 9 N 1.483472 2.506302 2.338707 4.010826 2.822842 10 C 2.577188 3.414518 2.879815 3.568308 2.462255 11 C 3.773013 4.624050 4.129630 2.373151 1.466804 12 H 1.074002 2.121031 2.018678 5.689457 4.560334 13 H 2.137353 1.082957 3.351484 6.198887 5.092848 14 H 2.137890 1.086121 2.697937 7.357247 6.182763 15 H 4.381358 5.185685 5.364191 2.447576 2.032062 16 C 3.060527 3.598308 2.824444 4.861171 3.862720 17 Cl 5.297037 6.049820 5.390561 2.935724 2.684168 18 H 2.166374 1.077518 2.746184 6.442703 5.296812 19 H 1.924112 2.667829 0.947833 6.955121 5.800983 20 H 4.059799 4.677286 3.692135 4.836233 4.019887 21 H 2.775895 3.445300 2.084717 5.571503 4.522975 22 N 3.502309 3.403138 3.516670 5.625983 4.648734 23 C 4.634270 4.409245 4.875472 5.494035 4.718053 24 C 5.369788 4.720199 5.649328 6.867518 6.078069 25 C 5.322476 4.652783 5.278139 7.750274 6.848319 26 C 4.067080 3.667419 3.830730 7.007337 6.004412 27 H 4.544370 4.381137 5.046041 4.695845 3.981134 28 H 5.399307 5.358506 5.463647 5.587908 4.960219 29 H 5.161731 4.289400 5.668733 6.930660 6.104792 30 H 6.416241 5.779241 6.694240 7.349298 6.690560 31 H 5.655792 4.746317 5.650152 8.593904 7.645756 32 H 6.145520 5.618050 5.930130 8.242290 7.410397 33 N 4.084899 3.749049 3.513149 7.767855 6.705412 34 H 3.474798 3.459524 2.662582 7.391406 6.300364 6 7 8 9 10 6 N 0.000000 7 C 1.362398 0.000000 8 O 2.226554 1.197501 0.000000 9 N 2.332151 1.384810 2.272024 0.000000 10 C 2.712965 2.426717 3.532378 1.401957 0.000000 11 C 2.362587 2.787035 3.983804 2.374666 1.343717 12 H 3.648418 2.329136 2.139614 2.029359 3.330558 13 H 4.251348 3.056330 2.871468 2.740102 3.773754 14 H 5.436962 4.129390 3.965179 3.428624 4.369053 15 H 0.998623 2.003491 2.403649 3.218969 3.711088 16 C 4.236370 3.815674 4.801434 2.537219 1.525694 17 Cl 3.923844 4.517843 5.712833 4.013563 2.724830 18 H 4.863337 3.789338 4.077023 2.813528 3.291703 19 H 5.301121 4.134574 4.303576 3.154098 3.820671 20 H 4.696801 4.539085 5.617495 3.380098 2.118639 21 H 4.716480 4.081669 4.928292 2.720861 2.128832 22 N 4.922686 4.413654 5.270338 3.201889 2.471708 23 C 5.191922 4.979653 5.890292 4.026046 3.143346 24 C 6.379221 6.005617 6.738629 5.070769 4.453854 25 C 7.089008 6.512340 7.198986 5.364468 4.805149 26 C 6.178218 5.494043 6.200873 4.217795 3.708239 27 H 4.442160 4.392902 5.308964 3.693108 2.893045 28 H 5.677850 5.642169 6.654032 4.681191 3.557680 29 H 6.198979 5.736611 6.317730 4.949112 4.607000 30 H 7.112931 6.879447 7.645138 6.014562 5.294421 31 H 7.738978 7.033423 7.577556 5.920388 5.569640 32 H 7.803842 7.318328 8.086969 6.123091 5.387098 33 N 6.769405 5.929215 6.527433 4.591485 4.272452 34 H 6.313723 5.431404 6.021177 4.070276 3.838879 11 12 13 14 15 11 C 0.000000 12 H 4.348329 0.000000 13 H 4.795781 2.419291 0.000000 14 H 5.623268 2.452217 1.753474 0.000000 15 H 3.276790 4.207903 4.788258 6.070544 0.000000 16 C 2.489043 4.040185 4.250627 4.395913 5.233580 17 Cl 1.734933 5.977521 6.303858 7.032386 4.708886 18 H 4.512504 3.032422 1.765981 1.757481 5.643348 19 H 5.067734 2.221933 3.609232 2.531506 6.056051 20 H 2.557275 4.982631 5.304601 5.463396 5.682220 21 H 3.246895 3.722217 4.295308 4.032176 5.697278 22 N 3.376855 4.561822 3.972893 4.186590 5.874579 23 C 3.562563 5.635911 4.699964 5.283993 6.069792 24 C 5.016279 6.370590 4.955526 5.425096 7.202449 25 C 5.625778 6.365124 5.167119 5.121816 7.984454 26 C 4.725039 5.128554 4.395911 4.144331 7.121429 27 H 3.062724 5.441419 4.450094 5.369698 5.245764 28 H 3.719765 6.403717 5.711798 6.220420 6.565714 29 H 5.227810 6.080029 4.335092 4.978985 6.942779 30 H 5.667508 7.409156 5.948929 6.487661 7.899367 31 H 6.490315 6.643859 5.230609 5.028543 8.599035 32 H 6.100653 7.208850 6.193060 6.066575 8.727557 33 N 5.428082 5.077796 4.668348 3.927856 7.715336 34 H 5.055361 4.419008 4.474886 3.616609 7.259944 16 17 18 19 20 16 C 0.000000 17 Cl 3.084372 0.000000 18 H 3.109391 5.716265 0.000000 19 H 3.693114 6.331631 3.098671 0.000000 20 H 1.079313 2.510705 4.160021 4.546200 0.000000 21 H 1.069705 3.941262 3.078229 2.861190 1.733124 22 N 1.445920 3.859307 2.557934 4.246829 2.083160 23 C 2.503816 3.656209 3.542936 5.643517 2.719512 24 C 3.719330 5.167301 3.711026 6.263228 4.054967 25 C 3.695180 5.808718 3.578886 5.743067 4.058695 26 C 2.475579 5.129556 2.680328 4.318902 3.018419 27 H 2.816890 3.333927 3.684453 5.866512 3.094082 28 H 2.780190 3.295623 4.511186 6.264941 2.553180 29 H 4.140751 5.661637 3.345856 6.228011 4.678964 30 H 4.576775 5.556169 4.781148 7.326791 4.729387 31 H 4.526388 6.817489 3.691523 5.969311 5.013333 32 H 4.121483 5.998014 4.559197 6.401413 4.227019 33 N 2.997754 5.928157 2.922788 3.768374 3.561609 34 H 2.649446 5.686425 2.862543 2.905919 3.274237 21 22 23 24 25 21 H 0.000000 22 N 2.069207 0.000000 23 C 3.389985 1.459999 0.000000 24 C 4.386844 2.336939 1.527139 0.000000 25 C 4.023352 2.345651 2.383975 1.529205 0.000000 26 C 2.579320 1.393086 2.351013 2.402866 1.513799 27 H 3.803381 2.103619 1.081656 2.189704 3.329632 28 H 3.687773 2.110136 1.088656 2.174252 2.842214 29 H 4.768822 2.769655 2.151720 1.084734 2.162062 30 H 5.308615 3.281405 2.182521 1.082454 2.198447 31 H 4.712893 3.179168 3.326820 2.211042 1.080627 32 H 4.430076 2.951825 2.862040 2.172337 1.085906 33 N 2.615743 2.400444 3.575509 3.599758 2.431851 34 H 1.956898 2.552033 3.933355 4.272079 3.303997 26 27 28 29 30 26 C 0.000000 27 H 3.233990 0.000000 28 H 2.880410 1.753292 0.000000 29 H 2.881785 2.400260 3.038019 0.000000 30 H 3.334124 2.715479 2.422888 1.753972 0.000000 31 H 2.149633 4.156725 3.891493 2.428138 2.779019 32 H 2.117526 3.902362 2.916594 3.037580 2.426621 33 N 1.255616 4.414895 4.022944 3.981407 4.498782 34 H 1.892588 4.644767 4.363320 4.608432 5.223988 31 32 33 34 31 H 0.000000 32 H 1.749258 0.000000 33 N 2.681441 2.827040 0.000000 34 H 3.632403 3.706135 1.002759 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.130514 2.414778 -0.340201 2 6 0 0.896214 2.684837 0.745378 3 8 0 0.424918 2.318145 -1.619962 4 8 0 -3.736907 -1.639347 0.381617 5 6 0 -2.869189 -0.837430 0.241208 6 7 0 -3.012480 0.455666 0.687343 7 6 0 -2.128601 1.485410 0.566879 8 8 0 -2.386703 2.568221 1.008368 9 7 0 -0.942303 1.199085 -0.087656 10 6 0 -0.632590 -0.108800 -0.486403 11 6 0 -1.551708 -1.080301 -0.356096 12 1 0 -0.851089 3.211164 -0.335679 13 1 0 0.391740 2.793365 1.697493 14 1 0 1.406667 3.619044 0.530082 15 1 0 -3.870350 0.682094 1.145642 16 6 0 0.748042 -0.429466 -1.051004 17 17 0 -1.295520 -2.729202 -0.830951 18 1 0 1.630164 1.898730 0.811703 19 1 0 0.751853 3.170815 -1.873838 20 1 0 0.673658 -1.365420 -1.583333 21 1 0 1.016514 0.324122 -1.761143 22 7 0 1.760886 -0.515746 -0.022709 23 6 0 1.731993 -1.641472 0.906540 24 6 0 2.990755 -1.425664 1.743856 25 6 0 3.961485 -0.815495 0.732004 26 6 0 3.068438 -0.095339 -0.255635 27 1 0 0.824878 -1.630996 1.495619 28 1 0 1.769749 -2.588742 0.371352 29 1 0 2.783922 -0.721732 2.542823 30 1 0 3.351487 -2.343449 2.190232 31 1 0 4.689445 -0.138406 1.155535 32 1 0 4.503051 -1.586907 0.192725 33 7 0 3.512973 0.728088 -1.092849 34 1 0 2.802203 1.120607 -1.681287 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4627794 0.2974895 0.2157103 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.4278569479 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.57D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999998 -0.000764 -0.000038 -0.001784 Ang= -0.22 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16042877 A.U. after 12 cycles NFock= 12 Conv=0.72D-08 -V/T= 2.0011 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 0.000061833 -0.000089586 -0.000292601 2 6 -0.000170868 0.000052654 -0.000070018 3 8 -0.000616324 -0.000246339 0.000303136 4 8 0.000089458 0.000119319 -0.000563984 5 6 -0.000409078 -0.000192972 0.001075146 6 7 0.000129217 0.000289192 -0.000354752 7 6 -0.000808185 -0.000000974 0.000063446 8 8 0.000688492 -0.000027786 0.000193017 9 7 0.000318297 0.000112935 0.000156180 10 6 0.000179156 -0.000101760 -0.000122752 11 6 0.000007452 0.000038635 -0.000491078 12 1 0.000151070 0.000186563 0.000172100 13 1 -0.000042865 0.000069622 0.000027389 14 1 0.000040970 -0.000062670 -0.000046606 15 1 -0.000009712 -0.000024648 -0.000048792 16 6 -0.000255157 0.000136622 0.000341255 17 17 -0.000123244 0.000033943 -0.000011631 18 1 -0.000143500 -0.000126123 0.000008436 19 1 0.000453581 0.000003083 -0.000227645 20 1 0.000004566 -0.000068334 0.000064782 21 1 0.000248290 -0.000080170 -0.000024394 22 7 -0.000156338 -0.000246623 -0.000056989 23 6 0.000229783 -0.000125326 -0.000159428 24 6 0.000270662 -0.000036694 0.000076260 25 6 0.000106201 0.000036162 0.000147710 26 6 -0.000541531 0.000428214 -0.000206742 27 1 0.000013377 0.000162682 -0.000008078 28 1 -0.000015074 0.000013439 -0.000088976 29 1 -0.000005448 0.000058644 0.000019268 30 1 -0.000073750 -0.000053605 -0.000015552 31 1 -0.000022523 -0.000083196 0.000130778 32 1 -0.000018568 -0.000012667 -0.000094302 33 7 0.000334417 -0.000074320 -0.000000070 34 1 0.000085343 -0.000087920 0.000105486 ------------------------------------------------------------------- Cartesian Forces: Max 0.001075146 RMS 0.000241262 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000800482 RMS 0.000163341 Search for a local minimum. Step number 12 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 10 11 12 DE= -4.02D-05 DEPred=-3.20D-05 R= 1.26D+00 TightC=F SS= 1.41D+00 RLast= 1.12D-01 DXNew= 6.9708D-01 3.3740D-01 Trust test= 1.26D+00 RLast= 1.12D-01 DXMaxT set to 4.14D-01 ITU= 1 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00191 0.00250 0.00310 0.00482 0.00862 Eigenvalues --- 0.00978 0.01047 0.01127 0.01134 0.01358 Eigenvalues --- 0.01545 0.01924 0.02043 0.02308 0.02433 Eigenvalues --- 0.02465 0.02807 0.03256 0.03379 0.03709 Eigenvalues --- 0.04875 0.04942 0.05302 0.05352 0.05395 Eigenvalues --- 0.05756 0.05780 0.06065 0.06136 0.06412 Eigenvalues --- 0.06683 0.06754 0.07251 0.08300 0.08505 Eigenvalues --- 0.08589 0.09432 0.10102 0.10910 0.13478 Eigenvalues --- 0.15898 0.15988 0.15998 0.16016 0.16058 Eigenvalues --- 0.16773 0.18789 0.20102 0.20772 0.21167 Eigenvalues --- 0.22252 0.22736 0.23788 0.24696 0.24965 Eigenvalues --- 0.24982 0.25202 0.25552 0.26934 0.27901 Eigenvalues --- 0.28336 0.28515 0.28836 0.31675 0.32073 Eigenvalues --- 0.32440 0.33735 0.33805 0.33812 0.33835 Eigenvalues --- 0.33839 0.33882 0.33906 0.33980 0.34175 Eigenvalues --- 0.34457 0.34741 0.35788 0.36066 0.36662 Eigenvalues --- 0.37339 0.38012 0.39274 0.41284 0.42627 Eigenvalues --- 0.47025 0.48777 0.49260 0.49679 0.52088 Eigenvalues --- 0.56911 0.63417 0.76631 0.83309 0.89167 Eigenvalues --- 1.11415 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 9 8 RFO step: Lambda=-5.88156049D-05. DidBck=F Rises=F RFO-DIIS coefs: 0.95176 1.43730 -1.09909 -0.21488 -0.07508 Iteration 1 RMS(Cart)= 0.01250412 RMS(Int)= 0.00009647 Iteration 2 RMS(Cart)= 0.00009840 RMS(Int)= 0.00004022 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004022 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86939 -0.00001 -0.00127 0.00094 -0.00033 2.86906 R2 2.64267 0.00016 -0.00047 0.00064 0.00017 2.64284 R3 2.80336 -0.00016 -0.00015 0.00025 0.00010 2.80346 R4 2.02957 0.00021 -0.00083 0.00077 -0.00006 2.02951 R5 2.04649 0.00008 -0.00083 0.00075 -0.00008 2.04641 R6 2.05247 0.00003 -0.00056 0.00041 -0.00015 2.05232 R7 2.03621 0.00019 0.00007 -0.00003 0.00004 2.03625 R8 1.79114 0.00030 -0.00197 0.00165 -0.00032 1.79083 R9 2.24847 0.00038 -0.00172 0.00156 -0.00016 2.24831 R10 2.59909 0.00021 0.00034 -0.00041 -0.00007 2.59902 R11 2.77186 0.00004 0.00100 -0.00068 0.00031 2.77217 R12 2.57456 0.00029 -0.00080 0.00091 0.00012 2.57468 R13 1.88712 -0.00002 0.00011 -0.00009 0.00002 1.88714 R14 2.26295 0.00059 -0.00174 0.00160 -0.00014 2.26281 R15 2.61691 -0.00002 -0.00185 0.00125 -0.00058 2.61633 R16 2.64931 -0.00020 -0.00333 0.00293 -0.00040 2.64892 R17 2.53926 0.00028 -0.00210 0.00154 -0.00057 2.53868 R18 2.88314 0.00004 -0.00352 0.00253 -0.00099 2.88215 R19 3.27855 0.00009 -0.00068 0.00053 -0.00015 3.27840 R20 2.03961 -0.00003 0.00024 -0.00006 0.00019 2.03979 R21 2.02145 0.00025 -0.00150 0.00125 -0.00024 2.02121 R22 2.73239 -0.00022 0.00033 0.00033 0.00066 2.73305 R23 2.75900 -0.00030 0.00118 -0.00054 0.00067 2.75967 R24 2.63255 -0.00014 0.00199 -0.00035 0.00166 2.63422 R25 2.88587 0.00012 -0.00147 0.00084 -0.00064 2.88524 R26 2.04403 0.00016 -0.00093 0.00069 -0.00024 2.04380 R27 2.05726 0.00006 -0.00016 0.00030 0.00014 2.05740 R28 2.88978 -0.00005 0.00021 0.00004 0.00021 2.88999 R29 2.04985 0.00005 -0.00037 0.00035 -0.00003 2.04982 R30 2.04554 0.00007 -0.00076 0.00066 -0.00010 2.04544 R31 2.86067 -0.00005 0.00042 -0.00026 0.00015 2.86081 R32 2.04209 0.00013 -0.00066 0.00064 -0.00002 2.04207 R33 2.05206 0.00005 -0.00068 0.00052 -0.00016 2.05191 R34 2.37277 0.00043 -0.00169 0.00113 -0.00056 2.37221 R35 1.89494 -0.00003 0.00025 -0.00022 0.00003 1.89497 A1 1.98012 -0.00006 -0.00091 0.00005 -0.00087 1.97926 A2 1.97584 -0.00018 0.00085 -0.00068 0.00017 1.97601 A3 1.89523 0.00006 0.00172 -0.00108 0.00065 1.89588 A4 1.89284 0.00004 0.00049 -0.00025 0.00024 1.89309 A5 1.89818 0.00009 -0.00056 0.00046 -0.00010 1.89809 A6 1.81296 0.00007 -0.00170 0.00168 -0.00002 1.81294 A7 1.90858 0.00004 -0.00033 0.00066 0.00033 1.90892 A8 1.90610 -0.00009 0.00008 -0.00046 -0.00037 1.90572 A9 1.95501 -0.00004 -0.00003 -0.00024 -0.00027 1.95474 A10 1.88284 0.00005 0.00025 0.00022 0.00047 1.88331 A11 1.91378 0.00001 -0.00003 -0.00008 -0.00011 1.91367 A12 1.89609 0.00003 0.00007 -0.00009 -0.00003 1.89607 A13 1.89648 0.00014 0.00014 -0.00014 -0.00000 1.89647 A14 2.11694 -0.00013 0.00095 -0.00067 0.00028 2.11722 A15 2.20370 -0.00007 0.00160 -0.00155 0.00005 2.20375 A16 1.96204 0.00021 -0.00245 0.00222 -0.00023 1.96181 A17 2.23235 -0.00015 0.00155 -0.00150 0.00007 2.23242 A18 2.03928 0.00004 -0.00011 0.00024 0.00012 2.03940 A19 2.01145 0.00011 -0.00146 0.00124 -0.00023 2.01121 A20 2.10716 0.00037 -0.00007 0.00018 -0.00005 2.10711 A21 2.02782 -0.00008 -0.00091 0.00090 -0.00012 2.02771 A22 2.14820 -0.00029 0.00141 -0.00108 0.00016 2.14837 A23 1.96038 0.00050 -0.00077 0.00117 0.00038 1.96075 A24 2.20830 -0.00067 0.00002 -0.00064 -0.00064 2.20767 A25 2.11363 0.00017 0.00067 -0.00057 0.00010 2.11374 A26 2.08954 0.00011 0.00069 -0.00050 0.00016 2.08971 A27 2.09583 -0.00080 -0.00012 -0.00045 -0.00058 2.09525 A28 2.09775 0.00069 -0.00057 0.00095 0.00037 2.09813 A29 2.13430 -0.00025 0.00047 -0.00055 -0.00010 2.13421 A30 1.98390 0.00003 0.00157 -0.00085 0.00072 1.98462 A31 2.16470 0.00021 -0.00206 0.00139 -0.00066 2.16403 A32 1.87802 0.00021 -0.00102 0.00142 0.00040 1.87842 A33 1.90151 -0.00006 0.00110 -0.00054 0.00055 1.90207 A34 1.96411 -0.00023 -0.00373 0.00172 -0.00200 1.96210 A35 1.87631 -0.00003 0.00085 -0.00052 0.00033 1.87664 A36 1.92547 0.00002 0.00300 -0.00234 0.00066 1.92613 A37 1.91596 0.00010 -0.00003 0.00019 0.00016 1.91612 A38 2.07692 -0.00021 -0.00223 0.00060 -0.00190 2.07501 A39 2.11830 0.00015 -0.00295 0.00101 -0.00221 2.11610 A40 1.93658 0.00008 -0.00169 0.00007 -0.00185 1.93473 A41 1.79641 -0.00009 -0.00116 0.00079 -0.00037 1.79603 A42 1.93452 0.00004 0.00009 0.00004 0.00011 1.93463 A43 1.93620 -0.00001 -0.00071 0.00037 -0.00033 1.93588 A44 1.97282 -0.00000 0.00201 -0.00112 0.00090 1.97372 A45 1.94327 0.00008 -0.00075 0.00017 -0.00058 1.94268 A46 1.88099 -0.00002 0.00044 -0.00020 0.00024 1.88123 A47 1.78936 0.00007 -0.00041 0.00005 -0.00044 1.78892 A48 1.91600 -0.00002 -0.00022 0.00006 -0.00016 1.91583 A49 1.96164 -0.00003 0.00070 -0.00041 0.00033 1.96198 A50 1.92780 0.00000 -0.00173 0.00138 -0.00033 1.92748 A51 1.98190 -0.00004 0.00154 -0.00113 0.00042 1.98233 A52 1.88602 0.00002 0.00003 0.00010 0.00013 1.88615 A53 1.82041 -0.00015 0.00081 -0.00065 0.00010 1.82051 A54 2.00237 0.00003 -0.00040 -0.00017 -0.00055 2.00182 A55 1.94093 0.00005 0.00100 -0.00015 0.00085 1.94178 A56 1.93375 0.00010 -0.00122 0.00072 -0.00047 1.93328 A57 1.88406 -0.00001 0.00008 0.00019 0.00027 1.88432 A58 1.87946 -0.00002 -0.00022 0.00008 -0.00015 1.87931 A59 1.87661 0.00008 -0.00097 0.00095 -0.00002 1.87658 A60 2.26750 0.00007 0.00063 -0.00074 -0.00010 2.26740 A61 2.13902 -0.00016 0.00030 -0.00019 0.00011 2.13914 A62 1.97908 0.00028 -0.00297 0.00325 0.00028 1.97936 D1 3.09526 0.00010 0.00065 0.00042 0.00106 3.09632 D2 1.03859 0.00006 0.00049 0.00003 0.00052 1.03911 D3 -1.06267 0.00011 0.00037 0.00061 0.00098 -1.06170 D4 -1.02106 -0.00004 0.00126 -0.00044 0.00082 -1.02024 D5 -3.07773 -0.00008 0.00110 -0.00082 0.00028 -3.07745 D6 1.10419 -0.00003 0.00098 -0.00024 0.00073 1.10493 D7 0.98260 -0.00003 0.00074 0.00056 0.00130 0.98390 D8 -1.07407 -0.00006 0.00058 0.00018 0.00075 -1.07331 D9 3.10786 -0.00001 0.00045 0.00076 0.00121 3.10907 D10 -1.18250 -0.00035 -0.02605 -0.00601 -0.03206 -1.21456 D11 2.88941 -0.00010 -0.02688 -0.00496 -0.03183 2.85758 D12 0.92850 -0.00024 -0.02486 -0.00703 -0.03188 0.89662 D13 1.63541 0.00013 -0.00057 0.00335 0.00278 1.63819 D14 -1.55095 0.00013 -0.00334 0.00221 -0.00113 -1.55208 D15 -2.43403 -0.00005 -0.00076 0.00272 0.00195 -2.43208 D16 0.66280 -0.00004 -0.00353 0.00157 -0.00196 0.66084 D17 -0.41696 0.00010 -0.00202 0.00396 0.00194 -0.41503 D18 2.67987 0.00011 -0.00479 0.00281 -0.00198 2.67789 D19 -3.10817 0.00016 0.00479 -0.00008 0.00471 -3.10346 D20 0.01695 0.00015 0.00198 -0.00074 0.00123 0.01819 D21 0.06551 -0.00016 0.00133 0.00017 0.00150 0.06701 D22 -3.09255 -0.00017 -0.00149 -0.00049 -0.00198 -3.09453 D23 3.13074 -0.00023 -0.00168 -0.00044 -0.00211 3.12863 D24 -0.03546 -0.00028 -0.00271 -0.00104 -0.00374 -0.03920 D25 -0.04487 0.00011 0.00198 -0.00068 0.00130 -0.04356 D26 3.07212 0.00006 0.00095 -0.00128 -0.00033 3.07179 D27 -3.13984 -0.00009 -0.00271 -0.00142 -0.00412 3.13922 D28 0.00377 0.00012 -0.00281 0.00032 -0.00249 0.00128 D29 0.01800 -0.00008 0.00006 -0.00076 -0.00069 0.01730 D30 -3.12158 0.00013 -0.00003 0.00099 0.00094 -3.12064 D31 3.00044 -0.00004 -0.00169 -0.00129 -0.00298 2.99746 D32 -0.09914 -0.00002 0.00092 -0.00020 0.00071 -0.09843 D33 -0.13908 0.00018 -0.00182 0.00050 -0.00131 -0.14039 D34 3.04452 0.00020 0.00080 0.00158 0.00239 3.04691 D35 -2.97509 -0.00002 0.00517 0.00089 0.00607 -2.96902 D36 0.17860 0.00004 0.00869 0.00082 0.00951 0.18811 D37 0.11814 -0.00000 0.00215 -0.00031 0.00184 0.11998 D38 -3.01136 0.00005 0.00566 -0.00038 0.00529 -3.00607 D39 -0.04124 -0.00004 -0.00356 0.00069 -0.00287 -0.04410 D40 3.12755 0.00003 -0.00248 0.00139 -0.00108 3.12647 D41 3.08825 -0.00010 -0.00706 0.00074 -0.00632 3.08193 D42 -0.02615 -0.00003 -0.00598 0.00144 -0.00454 -0.03069 D43 -2.81982 -0.00005 0.00347 0.00009 0.00356 -2.81626 D44 -0.79057 0.00000 0.00449 -0.00004 0.00445 -0.78611 D45 1.33855 -0.00007 0.00275 0.00097 0.00372 1.34227 D46 0.33393 0.00001 0.00699 0.00003 0.00702 0.34095 D47 2.36318 0.00006 0.00801 -0.00009 0.00792 2.37109 D48 -1.79089 -0.00001 0.00627 0.00091 0.00718 -1.78370 D49 1.22057 0.00009 0.00743 -0.00104 0.00635 1.22692 D50 -2.53582 0.00017 -0.00715 0.00204 -0.00508 -2.54089 D51 -0.87707 -0.00003 0.00913 -0.00237 0.00672 -0.87035 D52 1.64973 0.00005 -0.00546 0.00071 -0.00470 1.64503 D53 -2.94170 -0.00007 0.00629 -0.00043 0.00581 -2.93588 D54 -0.41490 0.00001 -0.00830 0.00265 -0.00561 -0.42051 D55 3.07244 0.00008 -0.00234 -0.00138 -0.00372 3.06872 D56 -1.09669 0.00004 -0.00060 -0.00223 -0.00283 -1.09951 D57 0.99233 0.00003 -0.00046 -0.00221 -0.00267 0.98966 D58 0.48635 -0.00003 0.01119 -0.00446 0.00671 0.49307 D59 2.60041 -0.00006 0.01292 -0.00530 0.00761 2.60801 D60 -1.59376 -0.00007 0.01307 -0.00529 0.00776 -1.58600 D61 -2.73830 0.00001 0.00167 0.00214 0.00380 -2.73450 D62 0.41463 0.00008 0.00591 -0.00072 0.00518 0.41981 D63 -0.16741 -0.00001 -0.01198 0.00514 -0.00680 -0.17421 D64 2.98552 0.00005 -0.00774 0.00228 -0.00543 2.98010 D65 -0.59141 -0.00000 -0.00561 0.00172 -0.00393 -0.59534 D66 1.45772 0.00003 -0.00792 0.00335 -0.00460 1.45312 D67 -2.72586 0.00002 -0.00757 0.00325 -0.00433 -2.73019 D68 -2.67914 0.00001 -0.00601 0.00175 -0.00428 -2.68342 D69 -0.63001 0.00004 -0.00833 0.00338 -0.00495 -0.63496 D70 1.46960 0.00003 -0.00797 0.00328 -0.00469 1.46491 D71 1.48378 -0.00002 -0.00748 0.00269 -0.00480 1.47898 D72 -2.75027 0.00001 -0.00979 0.00432 -0.00547 -2.75574 D73 -0.65066 0.00000 -0.00944 0.00423 -0.00521 -0.65587 D74 0.49964 -0.00002 -0.00092 0.00084 -0.00009 0.49955 D75 2.61820 0.00002 -0.00211 0.00119 -0.00093 2.61728 D76 -1.52679 0.00005 -0.00191 0.00105 -0.00086 -1.52766 D77 -1.54106 -0.00004 0.00033 0.00015 0.00047 -1.54059 D78 0.57750 0.00000 -0.00087 0.00050 -0.00037 0.57714 D79 2.71569 0.00003 -0.00067 0.00036 -0.00030 2.71539 D80 2.62028 -0.00004 0.00048 -0.00021 0.00025 2.62054 D81 -1.54434 0.00000 -0.00071 0.00014 -0.00058 -1.54492 D82 0.59385 0.00003 -0.00051 -0.00000 -0.00052 0.59333 D83 -0.22265 -0.00001 0.00794 -0.00373 0.00423 -0.21842 D84 2.90862 -0.00006 0.00409 -0.00113 0.00298 2.91160 D85 -2.38612 -0.00000 0.00861 -0.00352 0.00510 -2.38102 D86 0.74515 -0.00006 0.00476 -0.00092 0.00385 0.74900 D87 1.84309 -0.00003 0.00953 -0.00414 0.00539 1.84847 D88 -1.30883 -0.00009 0.00567 -0.00153 0.00414 -1.30469 D89 -0.01676 0.00002 -0.00003 0.00066 0.00063 -0.01613 D90 3.13766 0.00008 0.00477 -0.00259 0.00218 3.13985 Item Value Threshold Converged? Maximum Force 0.000800 0.000450 NO RMS Force 0.000163 0.000300 YES Maximum Displacement 0.071868 0.001800 NO RMS Displacement 0.012496 0.001200 NO Predicted change in Energy=-1.785322D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.642899 -5.038955 2.622592 2 6 0 6.323795 -5.107015 4.105359 3 8 0 6.899689 -6.289554 2.051672 4 8 0 3.334740 -2.196010 -0.683093 5 6 0 3.957624 -2.873405 0.071011 6 7 0 5.013443 -2.360143 0.787507 7 6 0 5.838325 -3.017652 1.649806 8 8 0 6.726490 -2.439790 2.207546 9 7 0 5.585981 -4.367364 1.827140 10 6 0 4.468244 -4.978167 1.241924 11 6 0 3.701735 -4.283363 0.384911 12 1 0 7.505001 -4.413308 2.485620 13 1 0 6.181861 -4.104198 4.488657 14 1 0 7.164456 -5.549706 4.631477 15 1 0 5.219632 -1.391937 0.655857 16 6 0 4.113801 -6.419265 1.593706 17 17 0 2.308694 -4.935082 -0.417841 18 1 0 5.444519 -5.697929 4.302293 19 1 0 7.726078 -6.611415 2.385670 20 1 0 3.458952 -6.792701 0.821146 21 1 0 5.004496 -7.011124 1.574770 22 7 0 3.479258 -6.530900 2.888536 23 6 0 2.121657 -6.019313 3.055382 24 6 0 1.782358 -6.414420 4.490615 25 6 0 2.516598 -7.746503 4.649541 26 6 0 3.696317 -7.638203 3.707015 27 1 0 2.090084 -4.950823 2.890932 28 1 0 1.440633 -6.485369 2.345223 29 1 0 2.182250 -5.677113 5.178422 30 1 0 0.715314 -6.485544 4.657805 31 1 0 2.848126 -7.962119 5.655191 32 1 0 1.900119 -8.577514 4.320323 33 7 0 4.661640 -8.440091 3.737897 34 1 0 5.366192 -8.242005 3.052385 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518241 0.000000 3 O 1.398531 2.438787 0.000000 4 O 5.473007 6.351194 6.078232 0.000000 5 C 4.290789 5.183024 4.924311 1.189757 0.000000 6 N 3.633001 4.502273 4.538315 2.237778 1.375340 7 C 2.383131 3.260499 3.463138 3.519297 2.459764 8 O 2.633421 3.298173 3.856809 4.463092 3.524120 9 N 1.483527 2.506338 2.339028 4.010503 2.822667 10 C 2.576638 3.414518 2.878776 3.568041 2.462071 11 C 3.772079 4.625509 4.126719 2.373259 1.466968 12 H 1.073971 2.121328 2.018665 5.687551 4.559114 13 H 2.137411 1.082914 3.351112 6.204376 5.096830 14 H 2.137407 1.086042 2.696826 7.359257 6.184190 15 H 4.381150 5.188452 5.362605 2.447885 2.032106 16 C 3.059444 3.593671 2.826257 4.860723 3.862139 17 Cl 5.295315 6.050614 5.386124 2.936944 2.684857 18 H 2.166046 1.077538 2.744601 6.447377 5.300239 19 H 1.924069 2.680849 0.947665 6.942403 5.790649 20 H 4.056890 4.672785 3.688634 4.838154 4.021475 21 H 2.769792 3.430752 2.083232 5.574168 4.525257 22 N 3.507884 3.405804 3.529581 5.618602 4.641611 23 C 4.646508 4.426364 4.889790 5.483193 4.708926 24 C 5.385747 4.741559 5.670195 6.853621 6.066586 25 C 5.335326 4.664524 5.299350 7.740434 6.840071 26 C 4.076078 3.670045 3.849754 7.001518 5.999342 27 H 4.561568 4.407215 5.062496 4.681006 3.969298 28 H 5.406720 5.370587 5.470449 5.581840 4.955156 29 H 5.180434 4.316117 5.692616 6.914020 6.090844 30 H 6.432027 5.801775 6.713929 7.333941 6.678233 31 H 5.669378 4.757507 5.674327 8.582462 7.636037 32 H 6.156106 5.626675 5.947877 8.235041 7.404514 33 N 4.091090 3.742617 3.532284 7.764944 6.702961 34 H 3.474800 3.442953 2.676772 7.391526 6.300359 6 7 8 9 10 6 N 0.000000 7 C 1.362464 0.000000 8 O 2.226518 1.197428 0.000000 9 N 2.331861 1.384502 2.271785 0.000000 10 C 2.712524 2.426337 3.532062 1.401748 0.000000 11 C 2.362507 2.786934 3.983704 2.374335 1.343414 12 H 3.647867 2.329002 2.139668 2.029370 3.329826 13 H 4.255049 3.059032 2.875820 2.740073 3.773803 14 H 5.438407 4.130409 3.967220 3.428384 4.368671 15 H 0.998633 2.003413 2.403405 3.218584 3.710674 16 C 4.235066 3.814197 4.799913 2.536159 1.525170 17 Cl 3.924136 4.517743 5.712798 4.012837 2.724029 18 H 4.866247 3.791392 4.080059 2.813680 3.291964 19 H 5.290163 4.125559 4.293409 3.150831 3.819573 20 H 4.697356 4.538622 5.616649 3.379133 2.118551 21 H 4.717148 4.080284 4.925724 2.718691 2.128677 22 N 4.915614 4.409372 5.267394 3.200896 2.469900 23 C 5.186059 4.979883 5.893750 4.029771 3.143101 24 C 6.371035 6.004923 6.741997 5.074652 4.453179 25 C 7.082543 6.511092 7.200537 5.367089 4.804629 26 C 6.173837 5.492704 6.201117 4.219378 3.707875 27 H 4.436446 4.396232 5.316819 3.700457 2.894067 28 H 5.675292 5.643435 6.657773 4.683831 3.557437 29 H 6.188544 5.735046 6.321114 4.952971 4.605466 30 H 7.104369 6.878923 7.648930 6.018534 5.293856 31 H 7.730788 7.030800 7.577868 5.922169 5.568274 32 H 7.799312 7.318004 8.088840 6.125920 5.387681 33 N 6.767151 5.928537 6.527571 4.592657 4.272260 34 H 6.312718 5.429917 6.019125 4.069690 3.838844 11 12 13 14 15 11 C 0.000000 12 H 4.346803 0.000000 13 H 4.798318 2.420414 0.000000 14 H 5.623823 2.451953 1.753677 0.000000 15 H 3.276853 4.207092 4.792974 6.072473 0.000000 16 C 2.488587 4.039754 4.244661 4.392116 5.232250 17 Cl 1.734852 5.975277 6.305991 7.032198 4.709592 18 H 4.514883 3.032513 1.765895 1.757418 5.647002 19 H 5.061443 2.211457 3.618467 2.546821 6.042969 20 H 2.558520 4.980210 5.300276 5.458427 5.682919 21 H 3.248636 3.718980 4.281021 4.018038 5.697889 22 N 3.371803 4.566524 3.969047 4.193003 5.867086 23 C 3.555500 5.646615 4.712451 5.304189 6.063643 24 C 5.008215 6.385382 4.969181 5.452940 7.193438 25 C 5.620049 6.377845 5.169761 5.140897 7.977243 26 C 4.721373 5.137881 4.390682 4.152642 7.116592 27 H 3.053369 5.456604 4.473494 5.397908 5.239780 28 H 3.715405 6.410125 5.722196 6.234146 6.563370 29 H 5.218153 6.097545 4.352784 5.013756 6.931235 30 H 5.659146 7.423772 5.965112 6.516741 7.889822 31 H 6.483652 6.657832 5.230502 5.049597 8.589800 32 H 6.096968 7.219518 6.194530 6.080927 8.722384 33 N 5.426078 5.086047 4.655607 3.926436 7.712768 34 H 5.055362 4.422063 4.455294 3.602188 7.258668 16 17 18 19 20 16 C 0.000000 17 Cl 3.083429 0.000000 18 H 3.102833 5.717954 0.000000 19 H 3.703063 6.325964 3.116635 0.000000 20 H 1.079413 2.511759 4.154442 4.548512 0.000000 21 H 1.069577 3.943070 3.059000 2.867809 1.733310 22 N 1.446268 3.853438 2.560234 4.277247 2.084000 23 C 2.503017 3.643325 3.563633 5.675265 2.716303 24 C 3.718565 5.153485 3.736341 6.308519 4.052045 25 C 3.694691 5.798765 3.590259 5.792428 4.056400 26 C 2.475112 5.123163 2.678662 4.363396 3.016531 27 H 2.816833 3.316024 3.715150 5.897227 3.090361 28 H 2.777585 3.285033 4.525625 6.286839 2.547721 29 H 4.139066 5.646659 3.377933 6.277453 4.675507 30 H 4.576331 5.541207 4.807505 7.370838 4.726717 31 H 4.525261 6.807030 3.701101 6.025661 5.010852 32 H 4.122240 5.990363 4.566738 6.445946 4.226081 33 N 2.996902 5.923817 2.907042 3.816196 3.559184 34 H 2.649266 5.685641 2.835618 2.944893 3.273603 21 22 23 24 25 21 H 0.000000 22 N 2.069529 0.000000 23 C 3.389198 1.460355 0.000000 24 C 4.386386 2.336599 1.526802 0.000000 25 C 4.023013 2.346389 2.383381 1.529317 0.000000 26 C 2.578959 1.393967 2.350529 2.403105 1.513876 27 H 3.804067 2.103914 1.081532 2.189931 3.330232 28 H 3.683903 2.110273 1.088728 2.173594 2.838669 29 H 4.767700 2.766723 2.151295 1.084719 2.161915 30 H 5.308336 3.282035 2.182414 1.082402 2.198797 31 H 4.712129 3.178222 3.325847 2.210763 1.080617 32 H 4.430440 2.955050 2.862437 2.172980 1.085822 33 N 2.615075 2.400927 3.574564 3.600027 2.431741 34 H 1.956844 2.552499 3.932859 4.272288 3.304030 26 27 28 29 30 26 C 0.000000 27 H 3.235427 0.000000 28 H 2.876042 1.753400 0.000000 29 H 2.881546 2.401792 3.038139 0.000000 30 H 3.334517 2.714259 2.423659 1.753996 0.000000 31 H 2.149358 4.157362 3.888150 2.427334 2.779197 32 H 2.117729 3.902836 2.913626 3.037804 2.427755 33 N 1.255319 4.416474 4.016886 3.982026 4.498886 34 H 1.892512 4.646594 4.358425 4.608274 5.224289 31 32 33 34 31 H 0.000000 32 H 1.749085 0.000000 33 N 2.682034 2.825615 0.000000 34 H 3.632299 3.705927 1.002775 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.145582 2.419691 -0.340580 2 6 0 0.886268 2.695870 0.738339 3 8 0 0.403215 2.328104 -1.623671 4 8 0 -3.724417 -1.657541 0.381868 5 6 0 -2.860803 -0.850837 0.244309 6 7 0 -3.009591 0.439549 0.696333 7 6 0 -2.132744 1.475295 0.575182 8 8 0 -2.396978 2.555718 1.018692 9 7 0 -0.947281 1.198070 -0.084113 10 6 0 -0.631039 -0.106519 -0.487765 11 6 0 -1.544173 -1.083476 -0.359311 12 1 0 -0.871738 3.210909 -0.331325 13 1 0 0.387777 2.799151 1.694134 14 1 0 1.388253 3.633966 0.520459 15 1 0 -3.867547 0.659797 1.157494 16 6 0 0.751643 -0.417570 -1.051309 17 17 0 -1.278884 -2.728565 -0.842028 18 1 0 1.626439 1.915076 0.798304 19 1 0 0.696907 3.188856 -1.889980 20 1 0 0.682476 -1.349799 -1.591029 21 1 0 1.019779 0.342505 -1.754432 22 7 0 1.760594 -0.507482 -0.019018 23 6 0 1.734636 -1.645583 0.895690 24 6 0 2.989803 -1.434078 1.738867 25 6 0 3.961498 -0.811370 0.735446 26 6 0 3.069017 -0.084746 -0.248076 27 1 0 0.825563 -1.647794 1.481601 28 1 0 1.779646 -2.585493 0.348084 29 1 0 2.778338 -0.737901 2.543376 30 1 0 3.351900 -2.354715 2.178078 31 1 0 4.685355 -0.135455 1.167770 32 1 0 4.507992 -1.575268 0.190641 33 7 0 3.513583 0.745349 -1.078214 34 1 0 2.803052 1.143069 -1.663467 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4616915 0.2979948 0.2158172 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.4404094688 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.56D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.001537 -0.000019 -0.001987 Ang= -0.29 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16044500 A.U. after 11 cycles NFock= 11 Conv=0.70D-08 -V/T= 2.0011 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 -0.000005974 -0.000144387 -0.000365706 2 6 -0.000198419 0.000028775 -0.000103321 3 8 -0.000694287 -0.000272982 0.000279069 4 8 -0.000151119 0.000281593 -0.000449230 5 6 0.000009741 -0.000622175 0.000642628 6 7 0.000045269 0.000440628 -0.000196270 7 6 -0.000805367 -0.000023490 -0.000234554 8 8 0.000778618 0.000069917 0.000381032 9 7 0.000387035 0.000147032 0.000255347 10 6 0.000227690 -0.000013527 0.000072910 11 6 -0.000233068 0.000294174 -0.000509020 12 1 0.000137032 0.000244106 0.000219451 13 1 -0.000056394 0.000110659 0.000046892 14 1 0.000047027 -0.000074418 -0.000033062 15 1 -0.000029125 -0.000031268 -0.000062135 16 6 -0.000212689 0.000105217 0.000450714 17 17 -0.000169294 0.000132950 -0.000122284 18 1 -0.000114990 -0.000108164 0.000048343 19 1 0.000539535 -0.000091280 -0.000226729 20 1 0.000060049 -0.000142208 0.000121652 21 1 0.000317425 -0.000186195 -0.000017100 22 7 -0.000344048 -0.000674119 -0.000228690 23 6 0.000342527 -0.000214284 -0.000148408 24 6 0.000355201 -0.000079191 0.000136753 25 6 0.000130201 0.000056697 0.000201004 26 6 -0.000828236 0.000965141 -0.000213996 27 1 0.000018936 0.000195432 0.000041538 28 1 0.000001522 0.000072454 -0.000077480 29 1 -0.000023300 0.000070218 0.000029185 30 1 -0.000112911 -0.000095183 -0.000023390 31 1 -0.000019816 -0.000119583 0.000150788 32 1 -0.000092003 -0.000005712 -0.000123654 33 7 0.000570930 -0.000162457 0.000009877 34 1 0.000122302 -0.000154371 0.000047845 ------------------------------------------------------------------- Cartesian Forces: Max 0.000965141 RMS 0.000290121 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001046868 RMS 0.000213499 Search for a local minimum. Step number 13 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 10 11 12 13 DE= -1.62D-05 DEPred=-1.79D-05 R= 9.09D-01 TightC=F SS= 1.41D+00 RLast= 6.69D-02 DXNew= 6.9708D-01 2.0081D-01 Trust test= 9.09D-01 RLast= 6.69D-02 DXMaxT set to 4.14D-01 ITU= 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00149 0.00249 0.00311 0.00486 0.00863 Eigenvalues --- 0.00981 0.01054 0.01132 0.01221 0.01360 Eigenvalues --- 0.01547 0.01918 0.02041 0.02315 0.02427 Eigenvalues --- 0.02671 0.02997 0.03261 0.03454 0.03715 Eigenvalues --- 0.04924 0.04950 0.05316 0.05355 0.05396 Eigenvalues --- 0.05755 0.05781 0.06071 0.06142 0.06370 Eigenvalues --- 0.06681 0.06767 0.07306 0.08309 0.08509 Eigenvalues --- 0.08594 0.09440 0.10103 0.10930 0.13482 Eigenvalues --- 0.15924 0.15992 0.15999 0.16033 0.16075 Eigenvalues --- 0.16789 0.18780 0.20178 0.20760 0.21358 Eigenvalues --- 0.22307 0.22816 0.23793 0.24708 0.24961 Eigenvalues --- 0.24998 0.25242 0.25524 0.26969 0.27936 Eigenvalues --- 0.28332 0.28571 0.29191 0.31671 0.32087 Eigenvalues --- 0.32451 0.33734 0.33806 0.33812 0.33836 Eigenvalues --- 0.33839 0.33891 0.33908 0.33986 0.34209 Eigenvalues --- 0.34468 0.34758 0.35771 0.36127 0.36889 Eigenvalues --- 0.37334 0.37837 0.39455 0.41711 0.42965 Eigenvalues --- 0.47039 0.48777 0.49258 0.49718 0.52104 Eigenvalues --- 0.56896 0.64315 0.76802 0.83457 0.89274 Eigenvalues --- 1.21414 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 9 8 RFO step: Lambda=-3.83079121D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.08194 -0.10318 1.24184 -0.98862 -0.18451 RFO-DIIS coefs: -0.04747 Iteration 1 RMS(Cart)= 0.01103059 RMS(Int)= 0.00008255 Iteration 2 RMS(Cart)= 0.00008237 RMS(Int)= 0.00003380 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003380 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86906 0.00003 -0.00119 0.00088 -0.00031 2.86875 R2 2.64284 0.00028 -0.00048 0.00061 0.00013 2.64297 R3 2.80346 -0.00018 -0.00006 0.00022 0.00015 2.80361 R4 2.02951 0.00022 -0.00079 0.00073 -0.00006 2.02945 R5 2.04641 0.00013 -0.00078 0.00071 -0.00007 2.04634 R6 2.05232 0.00005 -0.00053 0.00039 -0.00014 2.05218 R7 2.03625 0.00016 0.00006 -0.00004 0.00002 2.03627 R8 1.79083 0.00042 -0.00185 0.00156 -0.00030 1.79053 R9 2.24831 0.00052 -0.00160 0.00146 -0.00014 2.24817 R10 2.59902 0.00029 0.00034 -0.00039 -0.00005 2.59897 R11 2.77217 -0.00004 0.00091 -0.00065 0.00025 2.77242 R12 2.57468 0.00033 -0.00076 0.00085 0.00010 2.57478 R13 1.88714 -0.00003 0.00010 -0.00009 0.00002 1.88716 R14 2.26281 0.00079 -0.00161 0.00150 -0.00012 2.26270 R15 2.61633 0.00010 -0.00171 0.00118 -0.00052 2.61581 R16 2.64892 -0.00016 -0.00313 0.00276 -0.00036 2.64855 R17 2.53868 0.00068 -0.00195 0.00148 -0.00048 2.53820 R18 2.88215 0.00036 -0.00323 0.00244 -0.00079 2.88137 R19 3.27840 0.00014 -0.00063 0.00050 -0.00013 3.27827 R20 2.03979 -0.00007 0.00024 -0.00007 0.00017 2.03997 R21 2.02121 0.00037 -0.00142 0.00118 -0.00023 2.02097 R22 2.73305 -0.00022 0.00020 0.00030 0.00049 2.73355 R23 2.75967 -0.00036 0.00110 -0.00053 0.00059 2.76026 R24 2.63422 -0.00038 0.00171 -0.00039 0.00135 2.63556 R25 2.88524 0.00018 -0.00144 0.00081 -0.00064 2.88460 R26 2.04380 0.00019 -0.00089 0.00065 -0.00023 2.04356 R27 2.05740 0.00002 -0.00013 0.00027 0.00013 2.05753 R28 2.88999 -0.00014 0.00013 0.00001 0.00012 2.89011 R29 2.04982 0.00006 -0.00033 0.00032 -0.00001 2.04981 R30 2.04544 0.00011 -0.00071 0.00062 -0.00008 2.04536 R31 2.86081 -0.00003 0.00037 -0.00024 0.00012 2.86093 R32 2.04207 0.00016 -0.00064 0.00060 -0.00003 2.04204 R33 2.05191 0.00009 -0.00059 0.00049 -0.00010 2.05181 R34 2.37221 0.00074 -0.00155 0.00108 -0.00047 2.37174 R35 1.89497 0.00002 0.00023 -0.00020 0.00003 1.89500 A1 1.97926 -0.00004 -0.00090 0.00009 -0.00081 1.97845 A2 1.97601 -0.00017 0.00075 -0.00062 0.00013 1.97614 A3 1.89588 0.00002 0.00165 -0.00107 0.00058 1.89646 A4 1.89309 0.00002 0.00049 -0.00023 0.00027 1.89335 A5 1.89809 0.00014 -0.00055 0.00047 -0.00008 1.89801 A6 1.81294 0.00007 -0.00154 0.00151 -0.00003 1.81291 A7 1.90892 0.00004 -0.00023 0.00060 0.00037 1.90929 A8 1.90572 -0.00009 0.00008 -0.00041 -0.00033 1.90540 A9 1.95474 0.00003 -0.00006 -0.00020 -0.00026 1.95449 A10 1.88331 0.00005 0.00026 0.00019 0.00044 1.88376 A11 1.91367 -0.00002 -0.00001 -0.00008 -0.00009 1.91358 A12 1.89607 0.00000 -0.00003 -0.00009 -0.00012 1.89595 A13 1.89647 0.00026 0.00013 -0.00010 0.00004 1.89651 A14 2.11722 -0.00019 0.00089 -0.00064 0.00025 2.11747 A15 2.20375 -0.00011 0.00149 -0.00146 0.00004 2.20379 A16 1.96181 0.00029 -0.00230 0.00208 -0.00022 1.96158 A17 2.23242 -0.00017 0.00145 -0.00140 0.00006 2.23247 A18 2.03940 0.00003 -0.00009 0.00023 0.00012 2.03952 A19 2.01121 0.00014 -0.00137 0.00117 -0.00023 2.01098 A20 2.10711 0.00041 -0.00012 0.00019 -0.00007 2.10703 A21 2.02771 -0.00009 -0.00085 0.00084 -0.00010 2.02761 A22 2.14837 -0.00032 0.00134 -0.00104 0.00017 2.14853 A23 1.96075 0.00064 -0.00070 0.00104 0.00033 1.96108 A24 2.20767 -0.00086 -0.00001 -0.00057 -0.00060 2.20707 A25 2.11374 0.00022 0.00063 -0.00051 0.00012 2.11386 A26 2.08971 0.00003 0.00064 -0.00050 0.00013 2.08983 A27 2.09525 -0.00105 -0.00002 -0.00040 -0.00043 2.09482 A28 2.09813 0.00101 -0.00063 0.00090 0.00026 2.09838 A29 2.13421 -0.00029 0.00045 -0.00050 -0.00007 2.13414 A30 1.98462 -0.00018 0.00148 -0.00086 0.00062 1.98525 A31 2.16403 0.00047 -0.00195 0.00135 -0.00059 2.16344 A32 1.87842 0.00021 -0.00105 0.00131 0.00027 1.87869 A33 1.90207 -0.00009 0.00111 -0.00049 0.00061 1.90267 A34 1.96210 -0.00003 -0.00339 0.00172 -0.00167 1.96044 A35 1.87664 -0.00004 0.00074 -0.00052 0.00022 1.87686 A36 1.92613 -0.00002 0.00283 -0.00224 0.00059 1.92672 A37 1.91612 -0.00003 -0.00009 0.00015 0.00006 1.91619 A38 2.07501 -0.00000 -0.00168 0.00067 -0.00123 2.07378 A39 2.11610 0.00004 -0.00249 0.00101 -0.00169 2.11441 A40 1.93473 0.00004 -0.00150 0.00013 -0.00158 1.93315 A41 1.79603 -0.00006 -0.00117 0.00078 -0.00042 1.79561 A42 1.93463 0.00004 0.00010 0.00001 0.00011 1.93474 A43 1.93588 -0.00001 -0.00063 0.00036 -0.00026 1.93562 A44 1.97372 -0.00003 0.00197 -0.00108 0.00090 1.97461 A45 1.94268 0.00008 -0.00076 0.00018 -0.00059 1.94209 A46 1.88123 -0.00002 0.00042 -0.00020 0.00022 1.88144 A47 1.78892 0.00005 -0.00056 0.00009 -0.00055 1.78838 A48 1.91583 -0.00002 -0.00023 0.00007 -0.00016 1.91567 A49 1.96198 -0.00002 0.00075 -0.00040 0.00038 1.96236 A50 1.92748 0.00001 -0.00159 0.00128 -0.00028 1.92720 A51 1.98233 -0.00005 0.00146 -0.00108 0.00039 1.98272 A52 1.88615 0.00002 0.00008 0.00009 0.00017 1.88632 A53 1.82051 -0.00022 0.00067 -0.00059 0.00002 1.82052 A54 2.00182 0.00004 -0.00021 -0.00014 -0.00032 2.00150 A55 1.94178 0.00004 0.00075 -0.00020 0.00056 1.94234 A56 1.93328 0.00014 -0.00105 0.00069 -0.00033 1.93295 A57 1.88432 0.00003 0.00003 0.00019 0.00022 1.88454 A58 1.87931 -0.00002 -0.00017 0.00008 -0.00010 1.87920 A59 1.87658 0.00021 -0.00104 0.00092 -0.00013 1.87645 A60 2.26740 -0.00003 0.00071 -0.00070 0.00001 2.26741 A61 2.13914 -0.00017 0.00029 -0.00018 0.00011 2.13925 A62 1.97936 0.00038 -0.00274 0.00305 0.00031 1.97967 D1 3.09632 0.00011 0.00072 0.00033 0.00105 3.09738 D2 1.03911 0.00008 0.00049 -0.00000 0.00049 1.03960 D3 -1.06170 0.00013 0.00051 0.00051 0.00102 -1.06067 D4 -1.02024 -0.00005 0.00127 -0.00041 0.00086 -1.01937 D5 -3.07745 -0.00007 0.00104 -0.00074 0.00030 -3.07715 D6 1.10493 -0.00003 0.00106 -0.00022 0.00084 1.10576 D7 0.98390 -0.00005 0.00084 0.00043 0.00127 0.98517 D8 -1.07331 -0.00007 0.00061 0.00010 0.00071 -1.07260 D9 3.10907 -0.00003 0.00063 0.00061 0.00124 3.11031 D10 -1.21456 -0.00033 -0.02569 -0.00462 -0.03031 -1.24488 D11 2.85758 -0.00008 -0.02640 -0.00370 -0.03010 2.82748 D12 0.89662 -0.00025 -0.02457 -0.00559 -0.03016 0.86646 D13 1.63819 0.00009 -0.00046 0.00277 0.00230 1.64049 D14 -1.55208 0.00011 -0.00304 0.00185 -0.00119 -1.55327 D15 -2.43208 -0.00009 -0.00071 0.00225 0.00154 -2.43053 D16 0.66084 -0.00007 -0.00328 0.00133 -0.00195 0.65889 D17 -0.41503 0.00011 -0.00187 0.00343 0.00156 -0.41347 D18 2.67789 0.00013 -0.00445 0.00251 -0.00193 2.67595 D19 -3.10346 0.00006 0.00449 -0.00047 0.00402 -3.09944 D20 0.01819 0.00004 0.00167 -0.00099 0.00068 0.01886 D21 0.06701 -0.00006 0.00134 0.00047 0.00182 0.06883 D22 -3.09453 -0.00008 -0.00148 -0.00005 -0.00153 -3.09606 D23 3.12863 -0.00011 -0.00141 0.00017 -0.00124 3.12739 D24 -0.03920 -0.00011 -0.00243 -0.00032 -0.00276 -0.04196 D25 -0.04356 0.00002 0.00191 -0.00080 0.00111 -0.04246 D26 3.07179 0.00002 0.00089 -0.00130 -0.00041 3.07138 D27 3.13922 -0.00007 -0.00259 -0.00065 -0.00323 3.13599 D28 0.00128 0.00005 -0.00290 -0.00011 -0.00301 -0.00173 D29 0.01730 -0.00005 0.00019 -0.00013 0.00006 0.01737 D30 -3.12064 0.00008 -0.00012 0.00041 0.00029 -3.12035 D31 2.99746 -0.00003 -0.00129 -0.00070 -0.00199 2.99547 D32 -0.09843 -0.00001 0.00115 0.00017 0.00131 -0.09712 D33 -0.14039 0.00010 -0.00162 -0.00015 -0.00176 -0.14215 D34 3.04691 0.00011 0.00082 0.00072 0.00154 3.04845 D35 -2.96902 -0.00004 0.00467 0.00041 0.00508 -2.96394 D36 0.18811 -0.00005 0.00810 0.00016 0.00826 0.19638 D37 0.11998 -0.00001 0.00186 -0.00055 0.00131 0.12130 D38 -3.00607 -0.00002 0.00529 -0.00080 0.00450 -3.00157 D39 -0.04410 0.00002 -0.00336 0.00080 -0.00255 -0.04665 D40 3.12647 0.00003 -0.00228 0.00138 -0.00089 3.12557 D41 3.08193 0.00000 -0.00679 0.00104 -0.00574 3.07618 D42 -0.03069 0.00001 -0.00571 0.00162 -0.00409 -0.03478 D43 -2.81626 -0.00002 0.00373 -0.00034 0.00339 -2.81287 D44 -0.78611 0.00000 0.00463 -0.00051 0.00412 -0.78200 D45 1.34227 -0.00012 0.00305 0.00048 0.00352 1.34579 D46 0.34095 -0.00002 0.00717 -0.00058 0.00659 0.34754 D47 2.37109 0.00001 0.00807 -0.00075 0.00732 2.37841 D48 -1.78370 -0.00012 0.00649 0.00024 0.00672 -1.77698 D49 1.22692 0.00010 0.00620 -0.00132 0.00484 1.23176 D50 -2.54089 0.00024 -0.00566 0.00195 -0.00368 -2.54457 D51 -0.87035 -0.00014 0.00782 -0.00259 0.00521 -0.86514 D52 1.64503 0.00000 -0.00403 0.00068 -0.00331 1.64171 D53 -2.93588 -0.00006 0.00525 -0.00068 0.00454 -2.93134 D54 -0.42051 0.00008 -0.00661 0.00259 -0.00398 -0.42449 D55 3.06872 0.00007 -0.00071 -0.00123 -0.00193 3.06679 D56 -1.09951 0.00002 0.00098 -0.00204 -0.00106 -1.10057 D57 0.98966 0.00001 0.00116 -0.00205 -0.00088 0.98878 D58 0.49307 -0.00006 0.01029 -0.00446 0.00582 0.49889 D59 2.60801 -0.00011 0.01198 -0.00527 0.00669 2.61471 D60 -1.58600 -0.00012 0.01216 -0.00528 0.00687 -1.57913 D61 -2.73450 -0.00009 0.00058 0.00184 0.00242 -2.73208 D62 0.41981 -0.00005 0.00429 -0.00092 0.00336 0.42317 D63 -0.17421 0.00003 -0.01044 0.00502 -0.00538 -0.17958 D64 2.98010 0.00007 -0.00672 0.00226 -0.00443 2.97567 D65 -0.59534 -0.00000 -0.00570 0.00184 -0.00388 -0.59923 D66 1.45312 0.00003 -0.00793 0.00339 -0.00456 1.44856 D67 -2.73019 0.00004 -0.00749 0.00329 -0.00421 -2.73440 D68 -2.68342 0.00000 -0.00609 0.00188 -0.00421 -2.68764 D69 -0.63496 0.00004 -0.00832 0.00343 -0.00489 -0.63986 D70 1.46491 0.00004 -0.00788 0.00334 -0.00454 1.46037 D71 1.47898 -0.00001 -0.00749 0.00279 -0.00471 1.47428 D72 -2.75574 0.00003 -0.00972 0.00434 -0.00538 -2.76113 D73 -0.65587 0.00003 -0.00928 0.00424 -0.00503 -0.66090 D74 0.49955 -0.00003 0.00004 0.00068 0.00071 0.50026 D75 2.61728 0.00001 -0.00092 0.00104 0.00012 2.61740 D76 -1.52766 0.00004 -0.00071 0.00089 0.00018 -1.52748 D77 -1.54059 -0.00005 0.00132 -0.00001 0.00131 -1.53928 D78 0.57714 -0.00000 0.00036 0.00036 0.00072 0.57785 D79 2.71539 0.00003 0.00057 0.00020 0.00078 2.71616 D80 2.62054 -0.00005 0.00136 -0.00032 0.00102 2.62156 D81 -1.54492 -0.00000 0.00039 0.00005 0.00043 -1.54449 D82 0.59333 0.00003 0.00060 -0.00011 0.00049 0.59382 D83 -0.21842 -0.00004 0.00640 -0.00355 0.00286 -0.21556 D84 2.91160 -0.00008 0.00302 -0.00104 0.00200 2.91360 D85 -2.38102 -0.00004 0.00683 -0.00340 0.00343 -2.37759 D86 0.74900 -0.00007 0.00345 -0.00089 0.00257 0.75157 D87 1.84847 -0.00010 0.00761 -0.00399 0.00361 1.85209 D88 -1.30469 -0.00014 0.00424 -0.00148 0.00275 -1.30193 D89 -0.01613 -0.00002 0.00007 0.00056 0.00062 -0.01551 D90 3.13985 0.00002 0.00427 -0.00258 0.00170 3.14154 Item Value Threshold Converged? Maximum Force 0.001047 0.000450 NO RMS Force 0.000213 0.000300 YES Maximum Displacement 0.065365 0.001800 NO RMS Displacement 0.011024 0.001200 NO Predicted change in Energy=-5.490434D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.649205 -5.039396 2.618389 2 6 0 6.335665 -5.114844 4.101819 3 8 0 6.907254 -6.287313 2.042033 4 8 0 3.328877 -2.198099 -0.675409 5 6 0 3.953067 -2.874556 0.078341 6 7 0 5.007574 -2.359710 0.795586 7 6 0 5.836298 -3.017107 1.654363 8 8 0 6.724675 -2.438342 2.210696 9 7 0 5.587501 -4.367488 1.829453 10 6 0 4.470644 -4.979946 1.244747 11 6 0 3.702124 -4.286250 0.389037 12 1 0 7.509143 -4.411038 2.480482 13 1 0 6.191218 -4.114370 4.490157 14 1 0 7.179753 -5.557035 4.622688 15 1 0 5.211502 -1.390827 0.665338 16 6 0 4.117523 -6.420282 1.599168 17 17 0 2.310698 -4.941528 -0.413471 18 1 0 5.459293 -5.709956 4.299117 19 1 0 7.748080 -6.595975 2.351080 20 1 0 3.466077 -6.797304 0.825345 21 1 0 5.008969 -7.010941 1.586006 22 7 0 3.478351 -6.527026 2.892425 23 6 0 2.117062 -6.021112 3.048935 24 6 0 1.772110 -6.410741 4.483959 25 6 0 2.507741 -7.741167 4.650739 26 6 0 3.691772 -7.634093 3.713391 27 1 0 2.080987 -4.953904 2.878029 28 1 0 1.442348 -6.495042 2.337855 29 1 0 2.168668 -5.670368 5.170395 30 1 0 0.704545 -6.482413 4.647260 31 1 0 2.835231 -7.952366 5.658628 32 1 0 1.894418 -8.574637 4.322021 33 7 0 4.657085 -8.435365 3.749972 34 1 0 5.365546 -8.237459 3.068424 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518079 0.000000 3 O 1.398597 2.438056 0.000000 4 O 5.472353 6.353746 6.075438 0.000000 5 C 4.290401 5.184982 4.922420 1.189683 0.000000 6 N 3.632944 4.503973 4.537453 2.237849 1.375315 7 C 2.383236 3.261887 3.462872 3.519343 2.459823 8 O 2.633892 3.300202 3.856989 4.463044 3.524065 9 N 1.483609 2.506379 2.339373 4.010233 2.822520 10 C 2.576151 3.414581 2.877836 3.567815 2.461921 11 C 3.771277 4.626755 4.124258 2.373338 1.467101 12 H 1.073939 2.121586 2.018642 5.686069 4.558151 13 H 2.137508 1.082875 3.350776 6.208716 5.100057 14 H 2.136972 1.085967 2.695801 7.360811 6.185329 15 H 4.381032 5.190514 5.361570 2.448177 2.032161 16 C 3.058606 3.589928 2.827792 4.860297 3.861623 17 Cl 5.293808 6.051301 5.382282 2.937976 2.685448 18 H 2.165730 1.077549 2.743057 6.451180 5.303128 19 H 1.924038 2.693280 0.947508 6.930390 5.780695 20 H 4.054325 4.669100 3.685393 4.839811 4.022826 21 H 2.764630 3.418278 2.082086 5.576751 4.527435 22 N 3.513183 3.408979 3.540904 5.611719 4.635188 23 C 4.657194 4.441453 4.902107 5.473085 4.700655 24 C 5.398796 4.759350 5.687525 6.840246 6.055630 25 C 5.346189 4.674600 5.317401 7.730958 6.832254 26 C 4.083857 3.672555 3.866080 6.995948 5.994586 27 H 4.576389 4.430107 5.076388 4.666756 3.958109 28 H 5.413775 5.381548 5.476847 5.576958 4.951467 29 H 5.194812 4.337548 5.711520 6.897547 6.076978 30 H 6.444967 5.820418 6.730443 7.319376 6.666675 31 H 5.681095 4.767413 5.695044 8.571773 7.627143 32 H 6.165086 5.634122 5.963113 8.227528 7.398499 33 N 4.096539 3.737284 3.548865 7.762192 6.700680 34 H 3.475330 3.429251 2.689500 7.391764 6.300509 6 7 8 9 10 6 N 0.000000 7 C 1.362517 0.000000 8 O 2.226467 1.197367 0.000000 9 N 2.331603 1.384228 2.271589 0.000000 10 C 2.712135 2.426012 3.531779 1.401555 0.000000 11 C 2.362422 2.786840 3.983594 2.374036 1.343159 12 H 3.647557 2.328933 2.140024 2.029395 3.329141 13 H 4.257898 3.061320 2.879164 2.740052 3.773895 14 H 5.439482 4.131230 3.968759 3.428185 4.368386 15 H 0.998641 2.003328 2.403146 3.218237 3.710304 16 C 4.233932 3.812982 4.798651 2.535316 1.524754 17 Cl 3.924378 4.517654 5.712739 4.012190 2.723330 18 H 4.868565 3.793190 4.082419 2.813876 3.292343 19 H 5.279761 4.116870 4.284038 3.147436 3.817999 20 H 4.697802 4.538184 5.615889 3.378265 2.118453 21 H 4.717914 4.079198 4.923671 2.716948 2.128660 22 N 4.909357 4.405933 5.265046 3.200317 2.468389 23 C 5.180590 4.980120 5.896523 4.033058 3.143003 24 C 6.362639 6.003415 6.743558 5.077252 4.452163 25 C 7.076118 6.509555 7.201131 5.369011 4.803968 26 C 6.169606 5.491370 6.201001 4.220629 3.707471 27 H 4.430725 4.398966 5.323272 3.706620 2.894607 28 H 5.673658 5.645351 6.661528 4.686922 3.558226 29 H 6.177281 5.731822 6.321630 4.954574 4.602878 30 H 7.095642 6.877548 7.650707 6.021312 5.293203 31 H 7.723086 7.028323 7.577629 5.923590 5.567064 32 H 7.794408 7.317169 8.089696 6.127957 5.387797 33 N 6.764970 5.927870 6.527525 4.593657 4.272099 34 H 6.312041 5.428927 6.017697 4.069519 3.839015 11 12 13 14 15 11 C 0.000000 12 H 4.345470 0.000000 13 H 4.800449 2.421514 0.000000 14 H 5.624287 2.451704 1.753868 0.000000 15 H 3.276895 4.206611 4.796536 6.073872 0.000000 16 C 2.488185 4.039414 4.239724 4.389092 5.231084 17 Cl 1.734784 5.973292 6.307788 7.032031 4.710199 18 H 4.517002 3.032574 1.765816 1.757290 5.649833 19 H 5.055117 2.201769 3.627373 2.561756 6.030714 20 H 2.559585 4.977964 5.296732 5.454308 5.683494 21 H 3.250310 3.716241 4.268715 4.005944 5.698625 22 N 3.367210 4.571038 3.966523 4.199414 5.860398 23 C 3.549257 5.655972 4.723509 5.321928 6.057775 24 C 5.000680 6.397365 4.980148 5.476373 7.184067 25 C 5.614722 6.388568 5.171793 5.157414 7.969978 26 C 4.717996 5.145917 4.386234 4.160169 7.111861 27 H 3.044491 5.469701 4.494193 5.422640 5.233703 28 H 3.712578 6.416339 5.731646 6.246450 6.561771 29 H 5.208517 6.110828 4.366321 5.042203 6.918731 30 H 5.651643 7.435595 5.977950 6.541044 7.879887 31 H 6.477692 6.669863 5.230506 5.068102 8.580990 32 H 6.093146 7.228552 6.195542 6.093529 8.716737 33 N 5.424296 5.093235 4.644614 3.925592 7.710243 34 H 5.055505 4.425176 4.438797 3.590509 7.257748 16 17 18 19 20 16 C 0.000000 17 Cl 3.082539 0.000000 18 H 3.097521 5.719495 0.000000 19 H 3.711764 6.320211 3.133437 0.000000 20 H 1.079504 2.512662 4.149979 4.550160 0.000000 21 H 1.069452 3.944749 3.042421 2.874068 1.733425 22 N 1.446530 3.847878 2.563302 4.304463 2.084711 23 C 2.502600 3.631976 3.581939 5.703143 2.714161 24 C 3.717939 5.141351 3.757737 6.347890 4.050236 25 C 3.694350 5.789907 3.600155 5.836185 4.054988 26 C 2.474780 5.117447 2.677594 4.403091 3.015288 27 H 2.816598 3.299529 3.742200 5.923683 3.087087 28 H 2.776293 3.276771 4.538585 6.306554 2.544509 29 H 4.136915 5.633022 3.404248 6.319425 4.672549 30 H 4.576368 5.528567 4.829650 7.409233 4.725701 31 H 4.524463 6.797842 3.709768 6.075834 5.009267 32 H 4.122786 5.983114 4.573320 6.485760 4.225608 33 N 2.996272 5.920024 2.893606 3.859340 3.557413 34 H 2.649227 5.684967 2.812768 2.980859 3.273138 21 22 23 24 25 21 H 0.000000 22 N 2.069709 0.000000 23 C 3.388665 1.460669 0.000000 24 C 4.385844 2.336185 1.526466 0.000000 25 C 4.022681 2.346889 2.382644 1.529379 0.000000 26 C 2.578583 1.394679 2.350090 2.403221 1.513941 27 H 3.804445 2.104173 1.081408 2.190158 3.330684 28 H 3.681333 2.110421 1.088798 2.172928 2.835017 29 H 4.765741 2.763744 2.150878 1.084714 2.161763 30 H 5.308360 3.282596 2.182348 1.082358 2.199088 31 H 4.711440 3.177589 3.325057 2.210583 1.080599 32 H 4.430728 2.957245 2.861959 2.173391 1.085769 33 N 2.614489 2.401366 3.573764 3.600128 2.431661 34 H 1.956797 2.553049 3.932585 4.272402 3.304100 26 27 28 29 30 26 C 0.000000 27 H 3.236645 0.000000 28 H 2.872185 1.753497 0.000000 29 H 2.880786 2.403321 3.038241 0.000000 30 H 3.334967 2.713137 2.424431 1.754065 0.000000 31 H 2.149165 4.158291 3.884771 2.426972 2.779109 32 H 2.117909 3.902516 2.909639 3.038047 2.428781 33 N 1.255071 4.417820 4.011666 3.981838 4.499080 34 H 1.892498 4.648259 4.354449 4.607414 5.224733 31 32 33 34 31 H 0.000000 32 H 1.748962 0.000000 33 N 2.682426 2.824707 0.000000 34 H 3.632207 3.705931 1.002792 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.158545 2.423928 -0.341112 2 6 0 0.877488 2.705523 0.732156 3 8 0 0.384742 2.336597 -1.626914 4 8 0 -3.713071 -1.673381 0.382798 5 6 0 -2.853283 -0.862401 0.247071 6 7 0 -3.006688 0.425574 0.704324 7 6 0 -2.136232 1.466630 0.582006 8 8 0 -2.405513 2.544798 1.027796 9 7 0 -0.951524 1.197234 -0.081304 10 6 0 -0.629697 -0.104434 -0.489277 11 6 0 -1.537601 -1.086097 -0.362294 12 1 0 -0.889483 3.210631 -0.327941 13 1 0 0.384171 2.804252 1.691067 14 1 0 1.372107 3.646936 0.512120 15 1 0 -3.864506 0.640406 1.168307 16 6 0 0.754713 -0.407289 -1.051917 17 17 0 -1.264490 -2.727813 -0.851838 18 1 0 1.623052 1.929456 0.786628 19 1 0 0.647317 3.203601 -1.904640 20 1 0 0.689791 -1.336037 -1.598306 21 1 0 1.022808 0.358437 -1.748709 22 7 0 1.760281 -0.500975 -0.016299 23 6 0 1.736768 -1.649295 0.886121 24 6 0 2.988146 -1.440658 1.735015 25 6 0 3.961020 -0.807834 0.738998 26 6 0 3.069363 -0.075781 -0.241341 27 1 0 0.825637 -1.662662 1.468446 28 1 0 1.788957 -2.582877 0.328284 29 1 0 2.771988 -0.750533 2.543476 30 1 0 3.351394 -2.363244 2.169049 31 1 0 4.681541 -0.133142 1.178695 32 1 0 4.511490 -1.565696 0.189889 33 7 0 3.514192 0.760078 -1.065156 34 1 0 2.804130 1.162067 -1.648087 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4607223 0.2984607 0.2159343 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.4711119300 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.55D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999998 -0.001306 -0.000001 -0.001712 Ang= -0.25 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16045040 A.U. after 11 cycles NFock= 11 Conv=0.66D-08 -V/T= 2.0011 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 -0.000070763 -0.000195132 -0.000449060 2 6 -0.000221260 0.000004625 -0.000129062 3 8 -0.000752344 -0.000292517 0.000273240 4 8 -0.000338716 0.000415940 -0.000378734 5 6 0.000331796 -0.000967692 0.000334550 6 7 0.000019872 0.000553903 -0.000129198 7 6 -0.000952960 0.000007283 -0.000334136 8 8 0.000923171 0.000122870 0.000484773 9 7 0.000489993 0.000165466 0.000305238 10 6 0.000259141 0.000067043 0.000250129 11 6 -0.000427528 0.000495627 -0.000543010 12 1 0.000127220 0.000302745 0.000265843 13 1 -0.000069395 0.000146412 0.000058425 14 1 0.000056183 -0.000083387 -0.000026272 15 1 -0.000048180 -0.000037166 -0.000075711 16 6 -0.000202703 0.000076079 0.000521559 17 17 -0.000209235 0.000218521 -0.000222085 18 1 -0.000105382 -0.000096898 0.000082824 19 1 0.000615046 -0.000180856 -0.000233535 20 1 0.000108978 -0.000205771 0.000174705 21 1 0.000394440 -0.000274203 -0.000011830 22 7 -0.000480167 -0.001017701 -0.000339649 23 6 0.000445080 -0.000295243 -0.000172667 24 6 0.000426607 -0.000112364 0.000203111 25 6 0.000148692 0.000057625 0.000253254 26 6 -0.001090947 0.001408771 -0.000239601 27 1 0.000022675 0.000233075 0.000091142 28 1 0.000020126 0.000131638 -0.000074246 29 1 -0.000045848 0.000078731 0.000038732 30 1 -0.000145448 -0.000129815 -0.000033536 31 1 -0.000014508 -0.000146036 0.000173548 32 1 -0.000143521 -0.000000153 -0.000144813 33 7 0.000781811 -0.000239414 0.000026425 34 1 0.000148073 -0.000212006 -0.000000352 ------------------------------------------------------------------- Cartesian Forces: Max 0.001408771 RMS 0.000370561 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001320068 RMS 0.000275137 Search for a local minimum. Step number 14 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 10 11 12 13 14 DE= -5.40D-06 DEPred=-5.49D-06 R= 9.84D-01 TightC=F SS= 1.41D+00 RLast= 6.13D-02 DXNew= 6.9708D-01 1.8403D-01 Trust test= 9.84D-01 RLast= 6.13D-02 DXMaxT set to 4.14D-01 ITU= 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00139 0.00249 0.00329 0.00482 0.00865 Eigenvalues --- 0.00985 0.01052 0.01134 0.01147 0.01362 Eigenvalues --- 0.01548 0.01919 0.02041 0.02316 0.02430 Eigenvalues --- 0.02678 0.03103 0.03265 0.03539 0.03716 Eigenvalues --- 0.04935 0.04968 0.05312 0.05357 0.05401 Eigenvalues --- 0.05758 0.05779 0.06091 0.06150 0.06449 Eigenvalues --- 0.06676 0.06765 0.07310 0.08313 0.08516 Eigenvalues --- 0.08594 0.09439 0.10094 0.10931 0.13483 Eigenvalues --- 0.15928 0.15993 0.15999 0.16033 0.16095 Eigenvalues --- 0.16776 0.18774 0.20145 0.20753 0.21395 Eigenvalues --- 0.22323 0.22820 0.23788 0.24710 0.24961 Eigenvalues --- 0.25006 0.25266 0.25530 0.26976 0.27942 Eigenvalues --- 0.28341 0.28568 0.29272 0.31672 0.32087 Eigenvalues --- 0.32444 0.33736 0.33806 0.33812 0.33835 Eigenvalues --- 0.33839 0.33892 0.33909 0.33985 0.34229 Eigenvalues --- 0.34461 0.34765 0.35793 0.36144 0.36938 Eigenvalues --- 0.37338 0.37859 0.39467 0.41656 0.42896 Eigenvalues --- 0.47050 0.48777 0.49258 0.49713 0.52082 Eigenvalues --- 0.56906 0.64480 0.76831 0.83458 0.89257 Eigenvalues --- 1.15743 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 12 11 10 9 8 RFO step: Lambda=-4.17421264D-05. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 7 DidBck=T Rises=F RFO-DIIS coefs: -0.45215 2.30777 -0.81805 1.20087 -1.08943 RFO-DIIS coefs: -0.14902 0.00000 Iteration 1 RMS(Cart)= 0.00426371 RMS(Int)= 0.00002528 Iteration 2 RMS(Cart)= 0.00001284 RMS(Int)= 0.00002228 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002228 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86875 0.00006 -0.00114 0.00104 -0.00011 2.86865 R2 2.64297 0.00038 -0.00075 0.00080 0.00006 2.64302 R3 2.80361 -0.00021 -0.00006 0.00009 0.00003 2.80364 R4 2.02945 0.00024 -0.00087 0.00089 0.00002 2.02947 R5 2.04634 0.00017 -0.00085 0.00084 -0.00000 2.04633 R6 2.05218 0.00007 -0.00050 0.00046 -0.00004 2.05214 R7 2.03627 0.00015 0.00006 -0.00006 0.00000 2.03627 R8 1.79053 0.00053 -0.00191 0.00185 -0.00006 1.79047 R9 2.24817 0.00065 -0.00172 0.00170 -0.00003 2.24815 R10 2.59897 0.00035 0.00047 -0.00043 0.00004 2.59901 R11 2.77242 -0.00010 0.00080 -0.00075 0.00004 2.77246 R12 2.57478 0.00037 -0.00096 0.00100 0.00005 2.57484 R13 1.88716 -0.00004 0.00011 -0.00011 0.00000 1.88716 R14 2.26270 0.00097 -0.00174 0.00175 0.00001 2.26271 R15 2.61581 0.00019 -0.00151 0.00134 -0.00016 2.61565 R16 2.64855 -0.00014 -0.00336 0.00319 -0.00017 2.64838 R17 2.53820 0.00102 -0.00184 0.00174 -0.00011 2.53810 R18 2.88137 0.00063 -0.00297 0.00289 -0.00007 2.88129 R19 3.27827 0.00019 -0.00061 0.00058 -0.00004 3.27823 R20 2.03997 -0.00012 0.00016 -0.00008 0.00008 2.04005 R21 2.02097 0.00048 -0.00148 0.00141 -0.00007 2.02090 R22 2.73355 -0.00021 -0.00043 0.00041 -0.00002 2.73352 R23 2.76026 -0.00043 0.00075 -0.00065 0.00010 2.76036 R24 2.63556 -0.00058 0.00058 -0.00046 0.00012 2.63568 R25 2.88460 0.00025 -0.00128 0.00104 -0.00024 2.88436 R26 2.04356 0.00021 -0.00086 0.00079 -0.00007 2.04349 R27 2.05753 -0.00002 -0.00023 0.00028 0.00005 2.05758 R28 2.89011 -0.00021 -0.00011 0.00004 -0.00008 2.89003 R29 2.04981 0.00006 -0.00033 0.00037 0.00003 2.04985 R30 2.04536 0.00015 -0.00073 0.00073 -0.00000 2.04536 R31 2.86093 -0.00002 0.00028 -0.00029 -0.00000 2.86093 R32 2.04204 0.00019 -0.00074 0.00073 -0.00001 2.04203 R33 2.05181 0.00013 -0.00051 0.00056 0.00004 2.05185 R34 2.37174 0.00100 -0.00133 0.00128 -0.00005 2.37169 R35 1.89500 0.00006 0.00024 -0.00021 0.00002 1.89503 A1 1.97845 -0.00004 -0.00049 0.00026 -0.00024 1.97821 A2 1.97614 -0.00019 0.00065 -0.00071 -0.00006 1.97609 A3 1.89646 -0.00002 0.00152 -0.00126 0.00025 1.89672 A4 1.89335 0.00001 0.00042 -0.00036 0.00007 1.89342 A5 1.89801 0.00018 -0.00057 0.00067 0.00011 1.89811 A6 1.81291 0.00008 -0.00168 0.00156 -0.00012 1.81279 A7 1.90929 0.00002 -0.00041 0.00064 0.00023 1.90952 A8 1.90540 -0.00010 0.00038 -0.00051 -0.00013 1.90527 A9 1.95449 0.00008 0.00006 -0.00013 -0.00007 1.95441 A10 1.88376 0.00005 -0.00002 0.00021 0.00019 1.88395 A11 1.91358 -0.00004 0.00011 -0.00011 0.00000 1.91358 A12 1.89595 -0.00002 -0.00012 -0.00010 -0.00022 1.89573 A13 1.89651 0.00038 0.00016 -0.00012 0.00003 1.89654 A14 2.11747 -0.00024 0.00083 -0.00080 0.00002 2.11749 A15 2.20379 -0.00014 0.00168 -0.00167 0.00001 2.20380 A16 1.96158 0.00037 -0.00246 0.00243 -0.00003 1.96155 A17 2.23247 -0.00018 0.00162 -0.00165 -0.00003 2.23244 A18 2.03952 0.00001 -0.00018 0.00025 0.00006 2.03957 A19 2.01098 0.00017 -0.00142 0.00139 -0.00005 2.01093 A20 2.10703 0.00046 -0.00019 0.00039 0.00007 2.10710 A21 2.02761 -0.00010 -0.00090 0.00095 -0.00004 2.02757 A22 2.14853 -0.00036 0.00143 -0.00134 -0.00003 2.14850 A23 1.96108 0.00078 -0.00101 0.00113 0.00011 1.96119 A24 2.20707 -0.00105 0.00037 -0.00063 -0.00028 2.20679 A25 2.11386 0.00027 0.00067 -0.00056 0.00011 2.11397 A26 2.08983 -0.00003 0.00066 -0.00061 0.00003 2.08986 A27 2.09482 -0.00129 0.00049 -0.00056 -0.00008 2.09474 A28 2.09838 0.00132 -0.00113 0.00119 0.00004 2.09842 A29 2.13414 -0.00034 0.00059 -0.00061 -0.00004 2.13409 A30 1.98525 -0.00036 0.00124 -0.00100 0.00023 1.98548 A31 2.16344 0.00070 -0.00182 0.00161 -0.00021 2.16324 A32 1.87869 0.00023 -0.00162 0.00160 -0.00001 1.87868 A33 1.90267 -0.00014 0.00095 -0.00063 0.00032 1.90299 A34 1.96044 0.00014 -0.00240 0.00206 -0.00035 1.96009 A35 1.87686 -0.00005 0.00060 -0.00065 -0.00005 1.87681 A36 1.92672 -0.00005 0.00281 -0.00257 0.00024 1.92695 A37 1.91619 -0.00013 -0.00024 0.00011 -0.00013 1.91606 A38 2.07378 0.00015 -0.00019 0.00072 0.00046 2.07423 A39 2.11441 -0.00005 -0.00092 0.00102 0.00002 2.11443 A40 1.93315 0.00001 -0.00029 0.00021 -0.00022 1.93293 A41 1.79561 -0.00005 -0.00121 0.00096 -0.00033 1.79529 A42 1.93474 0.00005 0.00004 0.00001 0.00008 1.93482 A43 1.93562 -0.00001 -0.00045 0.00040 -0.00004 1.93558 A44 1.97461 -0.00005 0.00174 -0.00135 0.00042 1.97503 A45 1.94209 0.00008 -0.00052 0.00030 -0.00022 1.94188 A46 1.88144 -0.00002 0.00033 -0.00025 0.00007 1.88152 A47 1.78838 0.00004 -0.00054 0.00026 -0.00034 1.78803 A48 1.91567 -0.00001 -0.00018 0.00012 -0.00006 1.91561 A49 1.96236 -0.00001 0.00072 -0.00056 0.00019 1.96255 A50 1.92720 0.00003 -0.00156 0.00149 -0.00006 1.92714 A51 1.98272 -0.00006 0.00139 -0.00130 0.00011 1.98282 A52 1.88632 0.00002 0.00007 0.00007 0.00014 1.88646 A53 1.82052 -0.00029 0.00056 -0.00070 -0.00018 1.82035 A54 2.00150 0.00006 0.00037 -0.00017 0.00021 2.00171 A55 1.94234 0.00004 0.00002 -0.00018 -0.00016 1.94217 A56 1.93295 0.00017 -0.00071 0.00081 0.00012 1.93307 A57 1.88454 0.00005 -0.00022 0.00018 -0.00004 1.88451 A58 1.87920 -0.00003 -0.00005 0.00009 0.00003 1.87924 A59 1.87645 0.00031 -0.00133 0.00118 -0.00019 1.87625 A60 2.26741 -0.00012 0.00106 -0.00093 0.00015 2.26756 A61 2.13925 -0.00019 0.00024 -0.00022 0.00004 2.13929 A62 1.97967 0.00046 -0.00329 0.00353 0.00024 1.97990 D1 3.09738 0.00012 0.00022 0.00035 0.00057 3.09794 D2 1.03960 0.00010 0.00026 0.00002 0.00028 1.03988 D3 -1.06067 0.00014 0.00011 0.00057 0.00068 -1.05999 D4 -1.01937 -0.00004 0.00092 -0.00050 0.00043 -1.01895 D5 -3.07715 -0.00007 0.00096 -0.00083 0.00013 -3.07701 D6 1.10576 -0.00003 0.00082 -0.00028 0.00054 1.10630 D7 0.98517 -0.00006 0.00018 0.00022 0.00041 0.98558 D8 -1.07260 -0.00009 0.00022 -0.00011 0.00012 -1.07249 D9 3.11031 -0.00005 0.00007 0.00044 0.00052 3.11083 D10 -1.24488 -0.00033 -0.00703 -0.00553 -0.01256 -1.25744 D11 2.82748 -0.00006 -0.00786 -0.00451 -0.01237 2.81511 D12 0.86646 -0.00025 -0.00583 -0.00649 -0.01232 0.85414 D13 1.64049 0.00006 -0.00226 0.00362 0.00136 1.64185 D14 -1.55327 0.00009 -0.00230 0.00232 0.00002 -1.55325 D15 -2.43053 -0.00012 -0.00210 0.00316 0.00106 -2.42947 D16 0.65889 -0.00009 -0.00213 0.00185 -0.00028 0.65861 D17 -0.41347 0.00013 -0.00338 0.00453 0.00115 -0.41232 D18 2.67595 0.00016 -0.00341 0.00323 -0.00018 2.67577 D19 -3.09944 -0.00002 0.00198 -0.00076 0.00122 -3.09822 D20 0.01886 -0.00004 0.00118 -0.00148 -0.00031 0.01856 D21 0.06883 0.00001 0.00026 0.00084 0.00110 0.06993 D22 -3.09606 -0.00002 -0.00053 0.00012 -0.00042 -3.09648 D23 3.12739 -0.00003 -0.00025 0.00051 0.00027 3.12766 D24 -0.04196 0.00003 -0.00060 0.00036 -0.00024 -0.04220 D25 -0.04246 -0.00006 0.00155 -0.00116 0.00039 -0.04207 D26 3.07138 0.00000 0.00120 -0.00131 -0.00012 3.07126 D27 3.13599 -0.00009 0.00044 -0.00127 -0.00083 3.13516 D28 -0.00173 0.00004 -0.00180 -0.00008 -0.00189 -0.00362 D29 0.01737 -0.00007 0.00123 -0.00055 0.00067 0.01804 D30 -3.12035 0.00006 -0.00101 0.00064 -0.00039 -3.12074 D31 2.99547 -0.00005 0.00144 -0.00151 -0.00008 2.99539 D32 -0.09712 -0.00004 0.00147 -0.00027 0.00119 -0.09592 D33 -0.14215 0.00008 -0.00087 -0.00029 -0.00116 -0.14331 D34 3.04845 0.00009 -0.00084 0.00095 0.00010 3.04856 D35 -2.96394 -0.00005 0.00031 0.00125 0.00156 -2.96238 D36 0.19638 -0.00012 0.00245 -0.00019 0.00226 0.19864 D37 0.12130 -0.00000 0.00023 -0.00011 0.00011 0.12141 D38 -3.00157 -0.00007 0.00238 -0.00156 0.00082 -3.00076 D39 -0.04665 0.00006 -0.00172 0.00079 -0.00093 -0.04758 D40 3.12557 0.00002 -0.00138 0.00100 -0.00038 3.12519 D41 3.07618 0.00010 -0.00385 0.00222 -0.00163 3.07455 D42 -0.03478 0.00005 -0.00351 0.00243 -0.00109 -0.03586 D43 -2.81287 0.00001 0.00275 -0.00018 0.00258 -2.81029 D44 -0.78200 0.00000 0.00309 -0.00041 0.00268 -0.77931 D45 1.34579 -0.00017 0.00186 0.00066 0.00251 1.34831 D46 0.34754 -0.00004 0.00489 -0.00161 0.00329 0.35083 D47 2.37841 -0.00005 0.00523 -0.00184 0.00339 2.38180 D48 -1.77698 -0.00022 0.00400 -0.00078 0.00322 -1.77377 D49 1.23176 0.00011 0.00165 -0.00109 0.00055 1.23231 D50 -2.54457 0.00030 -0.00147 0.00241 0.00093 -2.54364 D51 -0.86514 -0.00024 0.00335 -0.00272 0.00063 -0.86450 D52 1.64171 -0.00004 0.00023 0.00078 0.00102 1.64273 D53 -2.93134 -0.00006 0.00105 -0.00042 0.00063 -2.93071 D54 -0.42449 0.00013 -0.00206 0.00307 0.00101 -0.42348 D55 3.06679 0.00005 0.00376 -0.00208 0.00169 3.06848 D56 -1.10057 -0.00001 0.00514 -0.00311 0.00203 -1.09855 D57 0.98878 -0.00001 0.00529 -0.00315 0.00214 0.99092 D58 0.49889 -0.00010 0.00678 -0.00549 0.00129 0.50018 D59 2.61471 -0.00016 0.00816 -0.00652 0.00162 2.61633 D60 -1.57913 -0.00016 0.00831 -0.00656 0.00174 -1.57738 D61 -2.73208 -0.00017 -0.00329 0.00246 -0.00084 -2.73292 D62 0.42317 -0.00014 -0.00021 -0.00017 -0.00039 0.42278 D63 -0.17958 0.00006 -0.00615 0.00584 -0.00027 -0.17985 D64 2.97567 0.00009 -0.00306 0.00321 0.00018 2.97585 D65 -0.59923 -0.00000 -0.00429 0.00257 -0.00173 -0.60095 D66 1.44856 0.00004 -0.00645 0.00446 -0.00200 1.44656 D67 -2.73440 0.00005 -0.00601 0.00427 -0.00174 -2.73614 D68 -2.68764 -0.00000 -0.00448 0.00265 -0.00183 -2.68946 D69 -0.63986 0.00004 -0.00664 0.00454 -0.00210 -0.64196 D70 1.46037 0.00005 -0.00619 0.00434 -0.00184 1.45853 D71 1.47428 -0.00000 -0.00578 0.00372 -0.00206 1.47222 D72 -2.76113 0.00004 -0.00794 0.00561 -0.00233 -2.76346 D73 -0.66090 0.00005 -0.00749 0.00542 -0.00207 -0.66297 D74 0.50026 -0.00005 0.00126 0.00035 0.00160 0.50185 D75 2.61740 0.00000 0.00097 0.00078 0.00174 2.61914 D76 -1.52748 0.00004 0.00120 0.00062 0.00182 -1.52566 D77 -1.53928 -0.00006 0.00245 -0.00057 0.00188 -1.53741 D78 0.57785 -0.00001 0.00216 -0.00014 0.00202 0.57987 D79 2.71616 0.00002 0.00239 -0.00030 0.00210 2.71826 D80 2.62156 -0.00006 0.00252 -0.00085 0.00166 2.62322 D81 -1.54449 -0.00001 0.00223 -0.00042 0.00181 -1.54268 D82 0.59382 0.00002 0.00246 -0.00058 0.00188 0.59570 D83 -0.21556 -0.00007 0.00301 -0.00386 -0.00083 -0.21639 D84 2.91360 -0.00010 0.00021 -0.00147 -0.00124 2.91236 D85 -2.37759 -0.00006 0.00262 -0.00367 -0.00105 -2.37864 D86 0.75157 -0.00009 -0.00018 -0.00128 -0.00145 0.75012 D87 1.85209 -0.00015 0.00321 -0.00434 -0.00113 1.85096 D88 -1.30193 -0.00018 0.00041 -0.00195 -0.00154 -1.30347 D89 -0.01551 -0.00006 -0.00024 0.00047 0.00023 -0.01528 D90 3.14154 -0.00003 0.00325 -0.00252 0.00073 -3.14091 Item Value Threshold Converged? Maximum Force 0.001320 0.000450 NO RMS Force 0.000275 0.000300 YES Maximum Displacement 0.025812 0.001800 NO RMS Displacement 0.004264 0.001200 NO Predicted change in Energy=-4.840892D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.651309 -5.039865 2.616958 2 6 0 6.339309 -5.118212 4.100506 3 8 0 6.909862 -6.286703 2.038423 4 8 0 3.326379 -2.198340 -0.671675 5 6 0 3.951453 -2.874799 0.081316 6 7 0 5.005613 -2.359504 0.798786 7 6 0 5.836021 -3.017140 1.655796 8 8 0 6.724380 -2.438199 2.211988 9 7 0 5.588086 -4.367670 1.830290 10 6 0 4.471446 -4.980566 1.245845 11 6 0 3.702170 -4.287093 0.390723 12 1 0 7.510444 -4.410398 2.479032 13 1 0 6.193742 -4.118687 4.490856 14 1 0 7.184468 -5.560311 4.619668 15 1 0 5.208724 -1.390361 0.669193 16 6 0 4.118927 -6.420912 1.600652 17 17 0 2.311221 -4.943447 -0.411691 18 1 0 5.464046 -5.715025 4.297590 19 1 0 7.756201 -6.590057 2.337421 20 1 0 3.469625 -6.799231 0.825600 21 1 0 5.010786 -7.010938 1.590242 22 7 0 3.476981 -6.526710 2.892600 23 6 0 2.114639 -6.022529 3.045986 24 6 0 1.768977 -6.408884 4.481590 25 6 0 2.504786 -7.738794 4.651297 26 6 0 3.690341 -7.632187 3.715827 27 1 0 2.076935 -4.955955 2.871748 28 1 0 1.441510 -6.499887 2.335657 29 1 0 2.165374 -5.667012 5.166526 30 1 0 0.701364 -6.480311 4.644679 31 1 0 2.830545 -7.948894 5.659971 32 1 0 1.892289 -8.572781 4.322273 33 7 0 4.656603 -8.432110 3.755767 34 1 0 5.366447 -8.234486 3.075559 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518024 0.000000 3 O 1.398627 2.437844 0.000000 4 O 5.472160 6.354299 6.074595 0.000000 5 C 4.290246 5.185426 4.921742 1.189669 0.000000 6 N 3.632960 4.504506 4.537153 2.237869 1.375334 7 C 2.383263 3.262578 3.462597 3.519355 2.459846 8 O 2.634010 3.301099 3.856879 4.463122 3.524131 9 N 1.483622 2.506298 2.339465 4.010130 2.822435 10 C 2.575902 3.414227 2.877507 3.567751 2.461864 11 C 3.770969 4.626851 4.123426 2.373352 1.467123 12 H 1.073949 2.121729 2.018751 5.685646 4.557798 13 H 2.137622 1.082873 3.350753 6.209770 5.100898 14 H 2.136813 1.085943 2.695529 7.361115 6.185547 15 H 4.381063 5.191243 5.361233 2.448261 2.032212 16 C 3.058288 3.588369 2.828245 4.860219 3.861522 17 Cl 5.293238 6.051112 5.380975 2.938325 2.685652 18 H 2.165630 1.077550 2.742450 6.452154 5.303940 19 H 1.924064 2.698588 0.947477 6.925689 5.776613 20 H 4.053078 4.667539 3.683593 4.840512 4.023342 21 H 2.762352 3.413036 2.081315 5.578047 4.528432 22 N 3.516112 3.411133 3.545686 5.609058 4.633022 23 C 4.661658 4.447206 4.907049 5.469345 4.698016 24 C 5.402613 4.764346 5.693214 6.834495 6.051063 25 C 5.349430 4.677006 5.323567 7.726945 6.829057 26 C 4.085949 3.672204 3.871605 6.993521 5.992545 27 H 4.582232 4.438920 5.081584 4.660622 3.953674 28 H 5.417822 5.386293 5.480571 5.576745 4.952083 29 H 5.197809 4.342732 5.716573 6.889428 6.070082 30 H 6.448905 5.825622 6.736134 7.313659 6.662363 31 H 5.685122 4.770337 5.702570 8.567640 7.623927 32 H 6.167484 5.635531 5.968095 8.223724 7.395463 33 N 4.096713 3.732595 3.553761 7.760904 6.699443 34 H 3.473728 3.421716 2.692887 7.391800 6.300313 6 7 8 9 10 6 N 0.000000 7 C 1.362545 0.000000 8 O 2.226542 1.197374 0.000000 9 N 2.331525 1.384143 2.271501 0.000000 10 C 2.712040 2.425936 3.531681 1.401465 0.000000 11 C 2.362431 2.786846 3.983612 2.373926 1.343102 12 H 3.647407 2.328644 2.139809 2.029323 3.328867 13 H 4.258845 3.062506 2.880775 2.739968 3.773491 14 H 5.439827 4.131654 3.969407 3.428039 4.367982 15 H 0.998642 2.003321 2.403204 3.218140 3.710212 16 C 4.233703 3.812757 4.798346 2.535146 1.524715 17 Cl 3.924508 4.517673 5.712787 4.011963 2.723119 18 H 4.869426 3.794209 4.083598 2.813951 3.292086 19 H 5.275482 4.113081 4.279990 3.145935 3.817278 20 H 4.697995 4.537980 5.615523 3.377835 2.118441 21 H 4.718291 4.078693 4.922694 2.716205 2.128828 22 N 4.907788 4.405887 5.265431 3.201050 2.468061 23 C 5.179323 4.981332 5.898532 4.035010 3.143363 24 C 6.358957 6.002490 6.743401 5.077552 4.451233 25 C 7.073383 6.508776 7.200800 5.369292 4.803403 26 C 6.167679 5.490568 6.200358 4.220635 3.707024 27 H 4.428982 4.400939 5.326643 3.709298 2.894451 28 H 5.675172 5.648315 6.664932 4.689972 3.560412 29 H 6.171201 5.728935 6.319737 4.953153 4.600099 30 H 7.092144 6.876895 7.650711 6.021968 5.292903 31 H 7.720319 7.027695 7.577486 5.924158 5.566689 32 H 7.791827 7.316302 8.089222 6.127957 5.387065 33 N 6.763290 5.926450 6.525790 4.592907 4.271668 34 H 6.311047 5.427424 6.015537 4.068426 3.838864 11 12 13 14 15 11 C 0.000000 12 H 4.345019 0.000000 13 H 4.800769 2.422031 0.000000 14 H 5.624185 2.451710 1.753969 0.000000 15 H 3.276935 4.206430 4.797826 6.074396 0.000000 16 C 2.488132 4.039320 4.237733 4.387782 5.230843 17 Cl 1.734765 5.972633 6.307866 7.031616 4.710441 18 H 4.517389 3.032647 1.765815 1.757134 5.650944 19 H 5.052568 2.198036 3.631285 2.568249 6.025732 20 H 2.560084 4.976804 5.295303 5.452516 5.683731 21 H 3.251254 3.714976 4.263574 4.000829 5.698982 22 N 3.365410 4.573690 3.966584 4.202636 5.858716 23 C 3.547170 5.659957 4.727721 5.328534 6.056359 24 C 4.997442 6.400674 4.982332 5.483309 7.179958 25 C 5.612527 6.391679 5.171007 5.161996 7.966871 26 C 4.716578 5.148085 4.383192 4.161553 7.109701 27 H 3.040436 5.474932 4.502292 5.432068 5.231903 28 H 3.713463 6.420162 5.735740 6.251485 6.563251 29 H 5.203289 6.113222 4.368248 5.049925 6.912143 30 H 5.648999 7.438961 5.980564 6.548104 7.875809 31 H 6.475607 6.673888 5.229570 5.073874 8.577759 32 H 6.090967 7.230950 6.194342 6.096767 8.713833 33 N 5.423618 5.093979 4.637754 3.922200 7.708307 34 H 5.055697 4.424502 4.430269 3.583390 7.256550 16 17 18 19 20 16 C 0.000000 17 Cl 3.082244 0.000000 18 H 3.095334 5.719524 0.000000 19 H 3.714996 6.317970 3.140369 0.000000 20 H 1.079548 2.513309 4.148244 4.550175 0.000000 21 H 1.069417 3.945872 3.035551 2.876233 1.733400 22 N 1.446519 3.845004 2.565396 4.315549 2.084901 23 C 2.502972 3.627477 3.588815 5.714137 2.714657 24 C 3.717823 5.136704 3.764151 6.362164 4.051029 25 C 3.694414 5.786646 3.602495 5.852434 4.055817 26 C 2.474841 5.115437 2.675815 4.417834 3.015948 27 H 2.816294 3.291810 3.752563 5.933789 3.086093 28 H 2.777594 3.275182 4.543785 6.315334 2.546198 29 H 4.135238 5.626839 3.411538 6.333498 4.671898 30 H 4.577048 5.524533 4.836246 7.423356 4.727615 31 H 4.524679 6.794665 3.712355 6.094905 5.010118 32 H 4.122581 5.979798 4.574366 6.500484 4.226132 33 N 2.996420 5.919399 2.885842 3.874580 3.558243 34 H 2.649661 5.685618 2.801886 2.993313 3.274173 21 22 23 24 25 21 H 0.000000 22 N 2.069583 0.000000 23 C 3.388777 1.460719 0.000000 24 C 4.385395 2.335818 1.526339 0.000000 25 C 4.022421 2.346769 2.382185 1.529338 0.000000 26 C 2.578302 1.394742 2.350004 2.403019 1.513938 27 H 3.804300 2.104242 1.081370 2.190304 3.330772 28 H 3.681922 2.110461 1.088826 2.172682 2.833308 29 H 4.763646 2.762270 2.150734 1.084732 2.161699 30 H 5.308698 3.282679 2.182369 1.082358 2.199126 31 H 4.711253 3.177865 3.325104 2.210687 1.080594 32 H 4.430392 2.956623 2.860443 2.173255 1.085792 33 N 2.614321 2.401482 3.573716 3.599812 2.431661 34 H 1.956970 2.553440 3.932923 4.272181 3.304204 26 27 28 29 30 26 C 0.000000 27 H 3.236938 0.000000 28 H 2.871273 1.753535 0.000000 29 H 2.879577 2.404045 3.038336 0.000000 30 H 3.335201 2.712774 2.424827 1.754168 0.000000 31 H 2.149243 4.159302 3.883311 2.427534 2.778662 32 H 2.117896 3.901224 2.906327 3.038229 2.429132 33 N 1.255043 4.418125 4.010862 3.980230 4.499289 34 H 1.892627 4.648784 4.354471 4.605533 5.225157 31 32 33 34 31 H 0.000000 32 H 1.748998 0.000000 33 N 2.682159 2.825269 0.000000 34 H 3.632017 3.706549 1.002804 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.162615 2.425351 -0.341151 2 6 0 0.875145 2.708148 0.730053 3 8 0 0.378445 2.339620 -1.628032 4 8 0 -3.708913 -1.678620 0.383920 5 6 0 -2.850618 -0.866084 0.248174 6 7 0 -3.005485 0.421060 0.707327 7 6 0 -2.137361 1.463991 0.584111 8 8 0 -2.407969 2.541360 1.031049 9 7 0 -0.952823 1.197069 -0.080323 10 6 0 -0.629200 -0.103574 -0.489831 11 6 0 -1.535392 -1.086799 -0.363311 12 1 0 -0.895073 3.210619 -0.326161 13 1 0 0.383948 2.805047 1.690235 14 1 0 1.367436 3.650631 0.509495 15 1 0 -3.863142 0.634041 1.172461 16 6 0 0.755632 -0.403699 -1.052789 17 17 0 -1.259801 -2.727333 -0.855355 18 1 0 1.622466 1.933604 0.782070 19 1 0 0.628772 3.208768 -1.910223 20 1 0 0.691468 -1.330560 -1.602548 21 1 0 1.024039 0.364523 -1.746652 22 7 0 1.760351 -0.500386 -0.016638 23 6 0 1.737667 -1.651978 0.881707 24 6 0 2.986864 -1.443081 1.733517 25 6 0 3.960420 -0.806872 0.740389 26 6 0 3.069179 -0.072646 -0.238699 27 1 0 0.825314 -1.669738 1.461928 28 1 0 1.793573 -2.583454 0.320664 29 1 0 2.767981 -0.754629 2.542693 30 1 0 3.350785 -2.365842 2.166612 31 1 0 4.680239 -0.133080 1.182596 32 1 0 4.511703 -1.562991 0.189649 33 7 0 3.513966 0.766810 -1.058828 34 1 0 2.804235 1.170427 -1.641058 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4603737 0.2986661 0.2159868 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.5073549460 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.55D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000509 -0.000009 -0.000550 Ang= -0.09 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16045549 A.U. after 10 cycles NFock= 10 Conv=0.65D-08 -V/T= 2.0011 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 -0.000109396 -0.000186582 -0.000490053 2 6 -0.000211161 -0.000024219 -0.000129972 3 8 -0.000708695 -0.000296758 0.000305228 4 8 -0.000367595 0.000437042 -0.000378326 5 6 0.000373177 -0.001019260 0.000297676 6 7 0.000079204 0.000546313 -0.000153413 7 6 -0.001114743 0.000072504 -0.000197219 8 8 0.000979221 0.000124285 0.000422488 9 7 0.000550288 0.000168871 0.000275630 10 6 0.000268395 0.000067387 0.000266434 11 6 -0.000465605 0.000533946 -0.000549778 12 1 0.000121245 0.000288771 0.000293718 13 1 -0.000071830 0.000153627 0.000049237 14 1 0.000058278 -0.000080347 -0.000025968 15 1 -0.000057480 -0.000035889 -0.000081114 16 6 -0.000229355 0.000061627 0.000507719 17 17 -0.000216308 0.000244849 -0.000249683 18 1 -0.000105796 -0.000084243 0.000094339 19 1 0.000615116 -0.000206755 -0.000248999 20 1 0.000119976 -0.000217041 0.000195166 21 1 0.000414929 -0.000290382 -0.000014749 22 7 -0.000464788 -0.001052038 -0.000319198 23 6 0.000474545 -0.000327089 -0.000212850 24 6 0.000412497 -0.000110866 0.000233893 25 6 0.000136783 0.000020691 0.000247297 26 6 -0.001126350 0.001491442 -0.000221848 27 1 0.000024279 0.000241936 0.000117720 28 1 0.000025947 0.000158027 -0.000077939 29 1 -0.000060836 0.000074864 0.000038185 30 1 -0.000148820 -0.000133881 -0.000037291 31 1 -0.000005607 -0.000138182 0.000170777 32 1 -0.000148484 0.000002234 -0.000134678 33 7 0.000821708 -0.000255527 0.000029918 34 1 0.000137265 -0.000229357 -0.000022348 ------------------------------------------------------------------- Cartesian Forces: Max 0.001491442 RMS 0.000386071 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001363154 RMS 0.000285874 Search for a local minimum. Step number 15 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 10 11 12 13 14 15 DE= -5.08D-06 DEPred=-4.84D-06 R= 1.05D+00 TightC=F SS= 1.41D+00 RLast= 2.54D-02 DXNew= 6.9708D-01 7.6292D-02 Trust test= 1.05D+00 RLast= 2.54D-02 DXMaxT set to 4.14D-01 ITU= 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00096 0.00249 0.00344 0.00472 0.00857 Eigenvalues --- 0.00966 0.01038 0.01098 0.01159 0.01374 Eigenvalues --- 0.01575 0.01914 0.02035 0.02322 0.02429 Eigenvalues --- 0.02686 0.03109 0.03265 0.03640 0.03717 Eigenvalues --- 0.04939 0.04999 0.05313 0.05363 0.05410 Eigenvalues --- 0.05762 0.05780 0.06135 0.06163 0.06641 Eigenvalues --- 0.06672 0.06766 0.07394 0.08333 0.08577 Eigenvalues --- 0.08631 0.09431 0.10104 0.10952 0.13498 Eigenvalues --- 0.15931 0.15993 0.16000 0.16030 0.16239 Eigenvalues --- 0.16775 0.18805 0.20172 0.20752 0.21613 Eigenvalues --- 0.22358 0.22874 0.23788 0.24728 0.24960 Eigenvalues --- 0.25012 0.25321 0.25538 0.27039 0.27932 Eigenvalues --- 0.28345 0.28599 0.29615 0.31673 0.32097 Eigenvalues --- 0.32436 0.33734 0.33806 0.33812 0.33835 Eigenvalues --- 0.33839 0.33901 0.33908 0.33989 0.34293 Eigenvalues --- 0.34448 0.34798 0.35769 0.36191 0.37196 Eigenvalues --- 0.37436 0.37622 0.39510 0.41772 0.43146 Eigenvalues --- 0.47225 0.48776 0.49262 0.49756 0.52195 Eigenvalues --- 0.56882 0.64988 0.76945 0.83421 0.89331 Eigenvalues --- 1.11961 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 15 14 13 12 11 10 9 8 RFO step: Lambda=-7.16059711D-05. 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 8 DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.36471 -0.63529 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01715842 RMS(Int)= 0.00069733 Iteration 2 RMS(Cart)= 0.00069247 RMS(Int)= 0.00000457 Iteration 3 RMS(Cart)= 0.00000084 RMS(Int)= 0.00000453 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86865 0.00006 -0.00041 -0.00048 -0.00088 2.86777 R2 2.64302 0.00041 0.00019 0.00044 0.00063 2.64365 R3 2.80364 -0.00018 0.00015 -0.00022 -0.00007 2.80357 R4 2.02947 0.00023 -0.00000 0.00009 0.00009 2.02956 R5 2.04633 0.00017 -0.00006 0.00010 0.00005 2.04638 R6 2.05214 0.00007 -0.00018 -0.00022 -0.00039 2.05174 R7 2.03627 0.00015 0.00001 -0.00019 -0.00018 2.03610 R8 1.79047 0.00054 -0.00031 -0.00021 -0.00052 1.78996 R9 2.24815 0.00068 -0.00014 0.00008 -0.00007 2.24808 R10 2.59901 0.00035 0.00004 0.00053 0.00057 2.59957 R11 2.77246 -0.00012 0.00024 -0.00010 0.00014 2.77260 R12 2.57484 0.00035 0.00017 0.00009 0.00025 2.57509 R13 1.88716 -0.00004 0.00001 -0.00002 -0.00001 1.88715 R14 2.26271 0.00098 -0.00005 0.00017 0.00013 2.26284 R15 2.61565 0.00023 -0.00065 -0.00086 -0.00151 2.61414 R16 2.64838 -0.00011 -0.00057 -0.00075 -0.00132 2.64706 R17 2.53810 0.00110 -0.00052 0.00031 -0.00021 2.53789 R18 2.88129 0.00069 -0.00065 0.00084 0.00019 2.88149 R19 3.27823 0.00020 -0.00015 -0.00003 -0.00018 3.27805 R20 2.04005 -0.00014 0.00028 0.00007 0.00035 2.04040 R21 2.02090 0.00051 -0.00028 0.00034 0.00005 2.02096 R22 2.73352 -0.00018 0.00027 -0.00047 -0.00020 2.73333 R23 2.76036 -0.00044 0.00057 -0.00024 0.00032 2.76068 R24 2.63568 -0.00060 0.00109 -0.00061 0.00048 2.63616 R25 2.88436 0.00029 -0.00088 -0.00007 -0.00095 2.88341 R26 2.04349 0.00022 -0.00029 -0.00001 -0.00030 2.04319 R27 2.05758 -0.00003 0.00019 0.00007 0.00026 2.05784 R28 2.89003 -0.00020 -0.00008 -0.00049 -0.00057 2.88946 R29 2.04985 0.00005 0.00006 -0.00003 0.00003 2.04988 R30 2.04536 0.00015 -0.00005 0.00010 0.00005 2.04541 R31 2.86093 -0.00001 0.00007 -0.00010 -0.00003 2.86089 R32 2.04203 0.00018 -0.00004 0.00000 -0.00004 2.04199 R33 2.05185 0.00012 0.00002 0.00018 0.00021 2.05206 R34 2.37169 0.00105 -0.00040 0.00023 -0.00017 2.37152 R35 1.89503 0.00007 0.00007 0.00006 0.00013 1.89516 A1 1.97821 -0.00005 -0.00099 -0.00072 -0.00170 1.97651 A2 1.97609 -0.00020 -0.00003 -0.00049 -0.00052 1.97557 A3 1.89672 -0.00003 0.00088 -0.00029 0.00059 1.89730 A4 1.89342 0.00004 0.00031 0.00078 0.00109 1.89451 A5 1.89811 0.00018 0.00016 0.00192 0.00208 1.90020 A6 1.81279 0.00009 -0.00026 -0.00112 -0.00138 1.81141 A7 1.90952 0.00000 0.00069 0.00030 0.00099 1.91050 A8 1.90527 -0.00010 -0.00046 -0.00071 -0.00118 1.90409 A9 1.95441 0.00010 -0.00031 0.00064 0.00033 1.95474 A10 1.88395 0.00006 0.00067 0.00100 0.00167 1.88562 A11 1.91358 -0.00005 -0.00005 -0.00032 -0.00038 1.91320 A12 1.89573 -0.00002 -0.00051 -0.00089 -0.00140 1.89433 A13 1.89654 0.00043 0.00009 0.00207 0.00216 1.89871 A14 2.11749 -0.00024 0.00021 -0.00027 -0.00006 2.11743 A15 2.20380 -0.00014 0.00004 0.00002 0.00007 2.20387 A16 1.96155 0.00039 -0.00021 0.00028 0.00007 1.96162 A17 2.23244 -0.00018 -0.00003 -0.00038 -0.00043 2.23201 A18 2.03957 0.00000 0.00018 -0.00001 0.00016 2.03973 A19 2.01093 0.00018 -0.00025 0.00027 0.00000 2.01093 A20 2.10710 0.00044 0.00010 0.00119 0.00129 2.10839 A21 2.02757 -0.00009 -0.00014 -0.00028 -0.00043 2.02715 A22 2.14850 -0.00035 0.00005 -0.00091 -0.00086 2.14764 A23 1.96119 0.00081 0.00042 0.00073 0.00114 1.96233 A24 2.20679 -0.00107 -0.00094 -0.00197 -0.00292 2.20387 A25 2.11397 0.00026 0.00030 0.00106 0.00134 2.11531 A26 2.08986 -0.00005 0.00013 -0.00025 -0.00013 2.08973 A27 2.09474 -0.00132 -0.00043 -0.00086 -0.00129 2.09344 A28 2.09842 0.00136 0.00025 0.00114 0.00139 2.09981 A29 2.13409 -0.00034 -0.00013 -0.00036 -0.00049 2.13360 A30 1.98548 -0.00042 0.00086 0.00012 0.00099 1.98647 A31 2.16324 0.00076 -0.00079 0.00025 -0.00054 2.16270 A32 1.87868 0.00021 0.00015 -0.00060 -0.00045 1.87823 A33 1.90299 -0.00015 0.00102 0.00108 0.00210 1.90509 A34 1.96009 0.00020 -0.00175 0.00081 -0.00094 1.95915 A35 1.87681 -0.00005 0.00004 -0.00092 -0.00087 1.87593 A36 1.92695 -0.00006 0.00085 0.00014 0.00098 1.92794 A37 1.91606 -0.00016 -0.00021 -0.00058 -0.00080 1.91526 A38 2.07423 0.00017 0.00013 0.00221 0.00234 2.07657 A39 2.11443 -0.00007 -0.00103 0.00076 -0.00027 2.11415 A40 1.93293 -0.00000 -0.00144 0.00038 -0.00108 1.93185 A41 1.79529 -0.00004 -0.00092 -0.00036 -0.00130 1.79399 A42 1.93482 0.00005 0.00022 -0.00010 0.00013 1.93495 A43 1.93558 -0.00001 -0.00023 0.00016 -0.00007 1.93551 A44 1.97503 -0.00006 0.00140 0.00025 0.00166 1.97669 A45 1.94188 0.00008 -0.00081 0.00004 -0.00077 1.94111 A46 1.88152 -0.00001 0.00028 -0.00000 0.00028 1.88180 A47 1.78803 0.00003 -0.00104 -0.00064 -0.00170 1.78633 A48 1.91561 -0.00001 -0.00023 0.00003 -0.00020 1.91541 A49 1.96255 -0.00000 0.00062 0.00022 0.00085 1.96340 A50 1.92714 0.00003 -0.00030 0.00020 -0.00009 1.92704 A51 1.98282 -0.00006 0.00046 -0.00015 0.00032 1.98315 A52 1.88646 0.00002 0.00039 0.00031 0.00070 1.88715 A53 1.82035 -0.00030 -0.00035 -0.00038 -0.00074 1.81961 A54 2.00171 0.00006 0.00022 0.00143 0.00165 2.00336 A55 1.94217 0.00004 0.00003 -0.00158 -0.00156 1.94061 A56 1.93307 0.00018 0.00003 0.00093 0.00096 1.93402 A57 1.88451 0.00006 0.00006 -0.00072 -0.00065 1.88385 A58 1.87924 -0.00003 0.00000 0.00020 0.00020 1.87944 A59 1.87625 0.00033 -0.00047 -0.00036 -0.00084 1.87542 A60 2.26756 -0.00014 0.00031 0.00081 0.00112 2.26868 A61 2.13929 -0.00019 0.00015 -0.00046 -0.00031 2.13898 A62 1.97990 0.00046 0.00067 0.00122 0.00189 1.98179 D1 3.09794 0.00011 0.00181 0.00145 0.00325 3.10120 D2 1.03988 0.00009 0.00087 0.00048 0.00135 1.04123 D3 -1.05999 0.00012 0.00201 0.00167 0.00368 -1.05631 D4 -1.01895 -0.00004 0.00140 0.00153 0.00293 -1.01601 D5 -3.07701 -0.00005 0.00046 0.00057 0.00103 -3.07598 D6 1.10630 -0.00003 0.00161 0.00175 0.00336 1.10966 D7 0.98558 -0.00006 0.00162 -0.00031 0.00131 0.98689 D8 -1.07249 -0.00008 0.00068 -0.00128 -0.00059 -1.07308 D9 3.11083 -0.00005 0.00183 -0.00009 0.00174 3.11257 D10 -1.25744 -0.00032 -0.04438 -0.06194 -0.10632 -1.36376 D11 2.81511 -0.00005 -0.04386 -0.06138 -0.10524 2.70987 D12 0.85414 -0.00026 -0.04380 -0.06142 -0.10522 0.74892 D13 1.64185 0.00005 0.00418 0.00121 0.00538 1.64722 D14 -1.55325 0.00009 -0.00071 -0.00251 -0.00322 -1.55646 D15 -2.42947 -0.00013 0.00310 0.00052 0.00361 -2.42586 D16 0.65861 -0.00009 -0.00179 -0.00320 -0.00498 0.65363 D17 -0.41232 0.00013 0.00329 0.00249 0.00578 -0.40654 D18 2.67577 0.00018 -0.00159 -0.00122 -0.00281 2.67296 D19 -3.09822 -0.00004 0.00499 0.00497 0.00996 -3.08826 D20 0.01856 -0.00006 -0.00019 -0.00131 -0.00149 0.01706 D21 0.06993 0.00000 0.00335 0.00378 0.00713 0.07706 D22 -3.09648 -0.00002 -0.00182 -0.00250 -0.00432 -3.10080 D23 3.12766 -0.00004 -0.00026 -0.00056 -0.00082 3.12684 D24 -0.04220 0.00005 -0.00223 -0.00025 -0.00248 -0.04468 D25 -0.04207 -0.00008 0.00148 0.00070 0.00218 -0.03989 D26 3.07126 0.00001 -0.00050 0.00101 0.00051 3.07177 D27 3.13516 -0.00013 -0.00371 -0.00434 -0.00805 3.12711 D28 -0.00362 0.00007 -0.00569 -0.00654 -0.01223 -0.01585 D29 0.01804 -0.00011 0.00139 0.00185 0.00324 0.02128 D30 -3.12074 0.00009 -0.00059 -0.00034 -0.00094 -3.12168 D31 2.99539 -0.00008 -0.00142 0.00117 -0.00026 2.99513 D32 -0.09592 -0.00007 0.00322 0.00476 0.00798 -0.08794 D33 -0.14331 0.00012 -0.00345 -0.00109 -0.00455 -0.14786 D34 3.04856 0.00013 0.00118 0.00251 0.00370 3.05226 D35 -2.96238 -0.00005 0.00635 0.00312 0.00946 -2.95292 D36 0.19864 -0.00013 0.00977 0.00149 0.01125 0.20989 D37 0.12141 0.00001 0.00106 -0.00091 0.00015 0.12156 D38 -3.00076 -0.00007 0.00449 -0.00254 0.00195 -2.99881 D39 -0.04758 0.00008 -0.00348 -0.00189 -0.00537 -0.05295 D40 3.12519 0.00001 -0.00133 -0.00223 -0.00356 3.12163 D41 3.07455 0.00013 -0.00692 -0.00028 -0.00720 3.06735 D42 -0.03586 0.00006 -0.00477 -0.00062 -0.00539 -0.04126 D43 -2.81029 0.00001 0.00732 -0.00489 0.00243 -2.80786 D44 -0.77931 -0.00001 0.00798 -0.00572 0.00226 -0.77705 D45 1.34831 -0.00018 0.00726 -0.00517 0.00209 1.35040 D46 0.35083 -0.00005 0.01076 -0.00651 0.00425 0.35508 D47 2.38180 -0.00007 0.01142 -0.00734 0.00408 2.38588 D48 -1.77377 -0.00025 0.01071 -0.00679 0.00392 -1.76985 D49 1.23231 0.00010 0.00418 -0.00649 -0.00232 1.22999 D50 -2.54364 0.00029 -0.00047 -0.00046 -0.00093 -2.54457 D51 -0.86450 -0.00026 0.00458 -0.00638 -0.00180 -0.86630 D52 1.64273 -0.00007 -0.00007 -0.00034 -0.00041 1.64232 D53 -2.93071 -0.00006 0.00414 -0.00498 -0.00083 -2.93154 D54 -0.42348 0.00013 -0.00050 0.00106 0.00056 -0.42292 D55 3.06848 0.00003 0.00215 0.00464 0.00679 3.07527 D56 -1.09855 -0.00004 0.00338 0.00468 0.00805 -1.09050 D57 0.99092 -0.00003 0.00373 0.00472 0.00845 0.99937 D58 0.50018 -0.00011 0.00627 -0.00086 0.00542 0.50559 D59 2.61633 -0.00018 0.00750 -0.00082 0.00668 2.62301 D60 -1.57738 -0.00017 0.00785 -0.00078 0.00707 -1.57031 D61 -2.73292 -0.00017 -0.00014 -0.00298 -0.00312 -2.73604 D62 0.42278 -0.00016 0.00135 -0.00301 -0.00166 0.42112 D63 -0.17985 0.00006 -0.00395 0.00321 -0.00073 -0.18058 D64 2.97585 0.00008 -0.00245 0.00318 0.00073 2.97658 D65 -0.60095 0.00000 -0.00593 -0.00172 -0.00765 -0.60860 D66 1.44656 0.00004 -0.00690 -0.00182 -0.00872 1.43784 D67 -2.73614 0.00005 -0.00616 -0.00126 -0.00741 -2.74355 D68 -2.68946 0.00000 -0.00633 -0.00150 -0.00783 -2.69730 D69 -0.64196 0.00004 -0.00731 -0.00160 -0.00891 -0.65086 D70 1.45853 0.00005 -0.00656 -0.00104 -0.00760 1.45093 D71 1.47222 0.00001 -0.00711 -0.00172 -0.00883 1.46339 D72 -2.76346 0.00005 -0.00809 -0.00181 -0.00990 -2.77336 D73 -0.66297 0.00006 -0.00734 -0.00125 -0.00859 -0.67156 D74 0.50185 -0.00005 0.00364 0.00361 0.00725 0.50911 D75 2.61914 -0.00001 0.00356 0.00533 0.00889 2.62803 D76 -1.52566 0.00003 0.00375 0.00542 0.00916 -1.51650 D77 -1.53741 -0.00007 0.00458 0.00384 0.00842 -1.52899 D78 0.57987 -0.00002 0.00450 0.00555 0.01005 0.58993 D79 2.71826 0.00002 0.00469 0.00564 0.01033 2.72859 D80 2.62322 -0.00007 0.00397 0.00339 0.00736 2.63057 D81 -1.54268 -0.00002 0.00389 0.00510 0.00899 -1.53369 D82 0.59570 0.00002 0.00408 0.00519 0.00927 0.60497 D83 -0.21639 -0.00008 0.00015 -0.00427 -0.00412 -0.22051 D84 2.91236 -0.00009 -0.00121 -0.00423 -0.00544 2.90693 D85 -2.37864 -0.00006 0.00009 -0.00628 -0.00619 -2.38482 D86 0.75012 -0.00008 -0.00127 -0.00624 -0.00751 0.74261 D87 1.85096 -0.00016 0.00003 -0.00662 -0.00658 1.84437 D88 -1.30347 -0.00017 -0.00132 -0.00658 -0.00790 -1.31138 D89 -0.01528 -0.00008 0.00085 -0.00107 -0.00022 -0.01550 D90 -3.14091 -0.00007 0.00254 -0.00110 0.00144 -3.13947 Item Value Threshold Converged? Maximum Force 0.001363 0.000450 NO RMS Force 0.000286 0.000300 YES Maximum Displacement 0.159486 0.001800 NO RMS Displacement 0.017154 0.001200 NO Predicted change in Energy=-3.685991D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.651952 -5.042083 2.617682 2 6 0 6.341514 -5.129946 4.100547 3 8 0 6.912261 -6.286253 2.033412 4 8 0 3.326592 -2.202861 -0.669455 5 6 0 3.949761 -2.877834 0.086389 6 7 0 4.998100 -2.359289 0.810592 7 6 0 5.832447 -3.017463 1.663567 8 8 0 6.720229 -2.438887 2.221204 9 7 0 5.586093 -4.367654 1.836584 10 6 0 4.473883 -4.983499 1.248480 11 6 0 3.706265 -4.292454 0.390084 12 1 0 7.508497 -4.408527 2.482011 13 1 0 6.190824 -4.133683 4.497307 14 1 0 7.189032 -5.572182 4.615289 15 1 0 5.199324 -1.389590 0.682270 16 6 0 4.123929 -6.423964 1.605779 17 17 0 2.323326 -4.955006 -0.420828 18 1 0 5.469877 -5.732603 4.295398 19 1 0 7.795832 -6.547538 2.253025 20 1 0 3.480906 -6.806691 0.827407 21 1 0 5.016639 -7.012839 1.603530 22 7 0 3.474460 -6.526396 2.894117 23 6 0 2.110656 -6.023794 3.041192 24 6 0 1.765567 -6.399328 4.479269 25 6 0 2.496190 -7.731124 4.653790 26 6 0 3.685415 -7.628769 3.722542 27 1 0 2.070589 -4.959208 2.856625 28 1 0 1.439267 -6.509942 2.334977 29 1 0 2.167492 -5.655441 5.158802 30 1 0 0.698021 -6.465209 4.645276 31 1 0 2.816581 -7.943068 5.663774 32 1 0 1.881689 -8.562424 4.321359 33 7 0 4.651756 -8.427990 3.770919 34 1 0 5.366035 -8.234460 3.094081 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517557 0.000000 3 O 1.398962 2.436359 0.000000 4 O 5.470326 6.356925 6.069317 0.000000 5 C 4.288735 5.187095 4.917786 1.189634 0.000000 6 N 3.632930 4.506119 4.536557 2.238068 1.375635 7 C 2.383487 3.265059 3.462337 3.519358 2.459978 8 O 2.634100 3.304112 3.856730 4.464123 3.524996 9 N 1.483585 2.505449 2.340617 4.008978 2.821405 10 C 2.573350 3.412298 2.873843 3.567450 2.461500 11 C 3.768449 4.627468 4.117545 2.373430 1.467198 12 H 1.073997 2.121781 2.020544 5.681992 4.554846 13 H 2.137947 1.082897 3.350345 6.215089 5.104480 14 H 2.135391 1.085735 2.693064 7.362017 6.185736 15 H 4.381398 5.194177 5.360694 2.448612 2.032573 16 C 3.053595 3.579948 2.824293 4.861085 3.861854 17 Cl 5.289341 6.051385 5.371577 2.939840 2.686485 18 H 2.165376 1.077456 2.739267 6.457749 5.308127 19 H 1.925573 2.745532 0.947204 6.884127 5.740496 20 H 4.046537 4.659184 3.674167 4.843517 4.025525 21 H 2.754384 3.396420 2.075116 5.581989 4.531910 22 N 3.517963 3.409625 3.552036 5.604807 4.628310 23 C 4.665457 4.452117 4.913239 5.463234 4.691507 24 C 5.402257 4.763827 5.699427 6.823232 6.038959 25 C 5.352293 4.675330 5.334390 7.719339 6.821176 26 C 4.088032 3.666315 3.881759 6.989912 5.988562 27 H 4.588339 4.451662 5.087291 4.648466 3.941778 28 H 5.422787 5.390143 5.485858 5.580282 4.954890 29 H 5.190750 4.338030 5.716539 6.872583 6.051525 30 H 6.448699 5.824831 6.743192 7.302284 6.650302 31 H 5.692493 4.773100 5.718319 8.562703 7.618919 32 H 6.168528 5.632113 5.976815 8.212186 7.384203 33 N 4.098183 3.720353 3.565929 7.760490 6.698715 34 H 3.474452 3.406250 2.703950 7.396196 6.304402 6 7 8 9 10 6 N 0.000000 7 C 1.362679 0.000000 8 O 2.227530 1.197441 0.000000 9 N 2.330649 1.383345 2.270317 0.000000 10 C 2.711647 2.425550 3.530908 1.400765 0.000000 11 C 2.362793 2.787115 3.984054 2.373135 1.342991 12 H 3.646246 2.326812 2.137491 2.028272 3.325820 13 H 4.261799 3.066670 2.886737 2.738592 3.771598 14 H 5.440458 4.132745 3.971015 3.426588 4.365087 15 H 0.998636 2.003436 2.404681 3.217281 3.709857 16 C 4.232975 3.811381 4.795869 2.533694 1.524818 17 Cl 3.925373 4.518042 5.713488 4.010803 2.722553 18 H 4.872956 3.798682 4.088304 2.814669 3.291940 19 H 5.239212 4.082128 4.247228 3.131815 3.806661 20 H 4.699100 4.537308 5.613697 3.376263 2.118333 21 H 4.720659 4.078257 4.919835 2.715804 2.130461 22 N 4.901769 4.403064 5.262657 3.199615 2.467286 23 C 5.171219 4.978716 5.896787 4.033924 3.143386 24 C 6.342742 5.992054 6.732951 5.070296 4.447195 25 C 7.063026 6.503126 7.194981 5.366291 4.801755 26 C 6.161981 5.487557 6.196692 4.219513 3.706767 27 H 4.417709 4.398334 5.326813 3.707990 2.891807 28 H 5.675999 5.652277 6.668957 4.694034 3.566427 29 H 6.146860 5.710297 6.301040 4.937849 4.589288 30 H 7.074889 6.865848 7.639003 6.015125 5.290635 31 H 7.713041 7.025575 7.575340 5.924624 5.567812 32 H 7.779228 7.308827 8.082068 6.123137 5.382449 33 N 6.761110 5.925265 6.523001 4.593578 4.273038 34 H 6.314059 5.429639 6.015349 4.072090 3.843296 11 12 13 14 15 11 C 0.000000 12 H 4.341267 0.000000 13 H 4.802866 2.423473 0.000000 14 H 5.623143 2.450924 1.754884 0.000000 15 H 3.277379 4.205392 4.802876 6.076319 0.000000 16 C 2.489115 4.035477 4.228282 4.379217 5.230130 17 Cl 1.734668 5.967505 6.310322 7.029828 4.711728 18 H 4.520602 3.032742 1.765525 1.756007 5.655940 19 H 5.027973 2.170338 3.665999 2.626751 5.984442 20 H 2.561919 4.970956 5.287418 5.442634 5.684981 21 H 3.254232 3.709923 4.247610 3.983149 5.701142 22 N 3.363691 4.574786 3.959031 4.203690 5.852709 23 C 3.545685 5.662019 4.726580 5.335882 6.048159 24 C 4.992661 6.397935 4.971556 5.487863 7.162776 25 C 5.609628 6.393708 5.159107 5.165780 7.955812 26 C 4.715582 5.150227 4.369549 4.159553 7.103698 27 H 3.033781 5.478543 4.511060 5.446752 5.221013 28 H 3.720100 6.424416 5.735814 6.256118 6.564105 29 H 5.192902 6.102978 4.352071 5.051555 6.886859 30 H 5.645977 7.435875 5.968985 6.552222 7.856783 31 H 6.475364 6.680620 5.220879 5.083184 8.569768 32 H 6.084131 7.231807 6.181694 6.098839 8.700530 33 N 5.424634 5.096895 4.619247 3.912336 7.705754 34 H 5.060223 4.427476 4.411994 3.567229 7.259261 16 17 18 19 20 16 C 0.000000 17 Cl 3.083366 0.000000 18 H 3.086034 5.722607 0.000000 19 H 3.730558 6.295551 3.200855 0.000000 20 H 1.079732 2.515317 4.139642 4.551717 0.000000 21 H 1.069444 3.947991 3.015059 2.891757 1.733015 22 N 1.446415 3.844898 2.564252 4.368718 2.085640 23 C 2.504758 3.629480 3.597526 5.763396 2.718705 24 C 3.717448 5.138883 3.768321 6.429791 4.055173 25 C 3.694397 5.786922 3.600742 5.937234 4.057763 26 C 2.474780 5.115839 2.666067 4.497118 3.016528 27 H 2.815374 3.287187 3.771389 5.972063 3.085436 28 H 2.783259 3.285400 4.548991 6.357204 2.555213 29 H 4.128225 5.625581 3.414260 6.396686 4.670269 30 H 4.580075 5.530618 4.840427 7.490564 4.736789 31 H 4.525943 6.796632 3.714646 6.194648 5.012298 32 H 4.120076 5.974684 4.569864 6.581402 4.224665 33 N 2.997090 5.920637 2.865224 3.965515 3.558618 34 H 2.652502 5.689242 2.777271 3.075223 3.275675 21 22 23 24 25 21 H 0.000000 22 N 2.068951 0.000000 23 C 3.389663 1.460890 0.000000 24 C 4.383576 2.334345 1.525837 0.000000 25 C 4.021527 2.346237 2.379933 1.529034 0.000000 26 C 2.577158 1.394997 2.349478 2.402077 1.513920 27 H 3.803533 2.104362 1.081210 2.190881 3.330834 28 H 3.685852 2.110667 1.088964 2.171796 2.825821 29 H 4.753959 2.755998 2.150159 1.084747 2.161374 30 H 5.310609 3.283125 2.182537 1.082383 2.199096 31 H 4.710750 3.179743 3.325639 2.211519 1.080574 32 H 4.428964 2.952854 2.852349 2.171958 1.085901 33 N 2.614071 2.402262 3.573492 3.598237 2.431367 34 H 1.958616 2.556467 3.935395 4.271981 3.304852 26 27 28 29 30 26 C 0.000000 27 H 3.237906 0.000000 28 H 2.867453 1.753699 0.000000 29 H 2.874188 2.407103 3.038827 0.000000 30 H 3.336140 2.711319 2.426711 1.754644 0.000000 31 H 2.149893 4.164134 3.877078 2.430957 2.776635 32 H 2.117480 3.894136 2.890351 3.038674 2.429876 33 N 1.254954 4.419367 4.007607 3.973011 4.499891 34 H 1.893755 4.652271 4.355422 4.598379 5.227505 31 32 33 34 31 H 0.000000 32 H 1.749200 0.000000 33 N 2.680656 2.827424 0.000000 34 H 3.631522 3.708698 1.002875 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.165396 2.424940 -0.344625 2 6 0 0.880124 2.710253 0.717667 3 8 0 0.367999 2.337910 -1.634977 4 8 0 -3.704140 -1.681486 0.389560 5 6 0 -2.845773 -0.868832 0.255288 6 7 0 -2.998330 0.416199 0.721972 7 6 0 -2.134201 1.461794 0.591948 8 8 0 -2.403879 2.539398 1.039059 9 7 0 -0.951841 1.196143 -0.075209 10 6 0 -0.628499 -0.102236 -0.489702 11 6 0 -1.534116 -1.086098 -0.365212 12 1 0 -0.899757 3.208378 -0.324375 13 1 0 0.397652 2.805272 1.682477 14 1 0 1.368144 3.653384 0.491482 15 1 0 -3.854788 0.627703 1.189967 16 6 0 0.756938 -0.398384 -1.053555 17 17 0 -1.259839 -2.723355 -0.868439 18 1 0 1.630577 1.938447 0.762920 19 1 0 0.528686 3.213582 -1.958355 20 1 0 0.692908 -1.321774 -1.609498 21 1 0 1.027666 0.373383 -1.742605 22 7 0 1.759896 -0.501080 -0.016421 23 6 0 1.737122 -1.655647 0.878373 24 6 0 2.980517 -1.442344 1.736654 25 6 0 3.957518 -0.809349 0.745325 26 6 0 3.069346 -0.072319 -0.234416 27 1 0 0.821191 -1.679964 1.452390 28 1 0 1.801976 -2.585172 0.314796 29 1 0 2.756182 -0.750093 2.541103 30 1 0 3.343470 -2.362668 2.175768 31 1 0 4.680615 -0.138985 1.187345 32 1 0 4.504957 -1.568509 0.194718 33 7 0 3.516874 0.770072 -1.049894 34 1 0 2.810277 1.177470 -1.633423 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4598946 0.2988359 0.2162968 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.6927325997 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.54D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000386 -0.000348 -0.000216 Ang= -0.06 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16050548 A.U. after 12 cycles NFock= 12 Conv=0.99D-08 -V/T= 2.0011 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 -0.000217729 -0.000353164 -0.000647905 2 6 -0.000044755 -0.000208522 0.000057446 3 8 -0.000243622 -0.000058511 0.000570252 4 8 -0.000566734 0.000533029 -0.000204221 5 6 0.000857267 -0.001239433 -0.000131154 6 7 0.000310266 0.000544895 -0.000210626 7 6 -0.001848577 0.000295554 0.000384017 8 8 0.001177584 0.000379652 0.000098984 9 7 0.000601529 0.000062607 0.000131565 10 6 0.000320599 -0.000049845 0.000244968 11 6 -0.000691627 0.000576234 -0.000388588 12 1 0.000194555 0.000024528 0.000386354 13 1 -0.000045867 0.000194728 0.000007181 14 1 0.000096018 -0.000028491 -0.000026576 15 1 -0.000107872 -0.000018364 -0.000102843 16 6 -0.000584614 -0.000017334 0.000218716 17 17 -0.000299202 0.000316425 -0.000227491 18 1 -0.000115253 -0.000028691 0.000024627 19 1 0.000601782 -0.000247915 -0.000265690 20 1 0.000100119 -0.000236592 0.000298580 21 1 0.000415043 -0.000170352 -0.000020333 22 7 -0.000425036 -0.001167435 -0.000272477 23 6 0.000639088 -0.000413889 -0.000507944 24 6 0.000307576 -0.000108147 0.000354476 25 6 0.000042217 -0.000180907 0.000142511 26 6 -0.001074594 0.001588115 -0.000029423 27 1 0.000021005 0.000332933 0.000203190 28 1 0.000027691 0.000257988 -0.000105997 29 1 -0.000116648 0.000101777 0.000057707 30 1 -0.000147445 -0.000127307 -0.000057435 31 1 0.000038121 -0.000055807 0.000150522 32 1 -0.000153082 -0.000027798 -0.000054260 33 7 0.000819799 -0.000295056 -0.000066487 34 1 0.000112399 -0.000174905 -0.000011646 ------------------------------------------------------------------- Cartesian Forces: Max 0.001848577 RMS 0.000447686 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001231453 RMS 0.000270055 Search for a local minimum. Step number 16 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 9 10 11 12 13 14 15 16 DE= -5.00D-05 DEPred=-3.69D-05 R= 1.36D+00 TightC=F SS= 1.41D+00 RLast= 1.91D-01 DXNew= 6.9708D-01 5.7358D-01 Trust test= 1.36D+00 RLast= 1.91D-01 DXMaxT set to 5.74D-01 ITU= 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00033 0.00249 0.00357 0.00564 0.00871 Eigenvalues --- 0.00928 0.01017 0.01095 0.01207 0.01371 Eigenvalues --- 0.01568 0.01906 0.02043 0.02350 0.02537 Eigenvalues --- 0.02712 0.03214 0.03370 0.03719 0.03817 Eigenvalues --- 0.04938 0.05056 0.05353 0.05395 0.05542 Eigenvalues --- 0.05767 0.05787 0.06164 0.06207 0.06657 Eigenvalues --- 0.06756 0.06897 0.07503 0.08345 0.08581 Eigenvalues --- 0.08870 0.09437 0.10102 0.10946 0.13716 Eigenvalues --- 0.15941 0.15997 0.16000 0.16054 0.16355 Eigenvalues --- 0.16728 0.19023 0.20336 0.20773 0.21667 Eigenvalues --- 0.22639 0.22764 0.23778 0.24737 0.24970 Eigenvalues --- 0.25046 0.25274 0.26018 0.27188 0.27984 Eigenvalues --- 0.28368 0.28610 0.29738 0.31687 0.32088 Eigenvalues --- 0.32441 0.33735 0.33803 0.33812 0.33835 Eigenvalues --- 0.33843 0.33910 0.33917 0.33990 0.34277 Eigenvalues --- 0.34441 0.34920 0.35761 0.36180 0.37257 Eigenvalues --- 0.37508 0.38808 0.39682 0.42360 0.42667 Eigenvalues --- 0.47501 0.48776 0.49295 0.50306 0.56419 Eigenvalues --- 0.56888 0.65538 0.78225 0.84792 0.88905 Eigenvalues --- 1.01637 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 16 15 14 13 12 11 10 9 8 RFO step: Lambda=-1.18479294D-04. 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 9 DidBck=F Rises=F RFO-DIIS coefs: 1.92550 1.73051 -1.34969 -1.30632 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.03789450 RMS(Int)= 0.00203567 Iteration 2 RMS(Cart)= 0.00205350 RMS(Int)= 0.00002041 Iteration 3 RMS(Cart)= 0.00000607 RMS(Int)= 0.00001987 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001987 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86777 0.00009 -0.00150 0.00013 -0.00137 2.86640 R2 2.64365 0.00021 0.00090 0.00015 0.00104 2.64470 R3 2.80357 0.00054 0.00020 0.00071 0.00092 2.80448 R4 2.02956 0.00012 0.00005 -0.00004 0.00001 2.02957 R5 2.04638 0.00019 -0.00007 0.00021 0.00014 2.04652 R6 2.05174 0.00007 -0.00067 0.00007 -0.00059 2.05115 R7 2.03610 0.00011 -0.00013 0.00005 -0.00009 2.03601 R8 1.78996 0.00057 -0.00102 0.00035 -0.00067 1.78928 R9 2.24808 0.00073 -0.00032 0.00034 0.00003 2.24811 R10 2.59957 0.00019 0.00056 0.00010 0.00065 2.60023 R11 2.77260 -0.00023 0.00057 -0.00045 0.00012 2.77272 R12 2.57509 0.00021 0.00050 -0.00009 0.00040 2.57549 R13 1.88715 -0.00003 0.00001 -0.00003 -0.00002 1.88713 R14 2.26284 0.00110 0.00000 0.00042 0.00042 2.26326 R15 2.61414 0.00072 -0.00250 0.00079 -0.00171 2.61243 R16 2.64706 0.00051 -0.00215 0.00068 -0.00147 2.64559 R17 2.53789 0.00123 -0.00111 0.00080 -0.00030 2.53759 R18 2.88149 0.00072 -0.00104 0.00097 -0.00007 2.88142 R19 3.27805 0.00022 -0.00043 0.00017 -0.00026 3.27779 R20 2.04040 -0.00019 0.00077 -0.00023 0.00054 2.04094 R21 2.02096 0.00044 -0.00044 0.00053 0.00009 2.02105 R22 2.73333 -0.00020 0.00041 -0.00053 -0.00012 2.73321 R23 2.76068 -0.00051 0.00133 -0.00085 0.00047 2.76115 R24 2.63616 -0.00062 0.00252 -0.00122 0.00131 2.63747 R25 2.88341 0.00044 -0.00235 0.00114 -0.00122 2.88219 R26 2.04319 0.00029 -0.00078 0.00046 -0.00032 2.04287 R27 2.05784 -0.00006 0.00055 -0.00014 0.00042 2.05826 R28 2.88946 -0.00008 -0.00058 -0.00006 -0.00065 2.88881 R29 2.04988 0.00006 0.00010 -0.00002 0.00009 2.04996 R30 2.04541 0.00014 -0.00007 0.00017 0.00010 2.04551 R31 2.86089 0.00006 0.00012 -0.00015 -0.00002 2.86087 R32 2.04199 0.00016 -0.00011 0.00012 0.00001 2.04200 R33 2.05206 0.00012 0.00018 0.00012 0.00030 2.05235 R34 2.37152 0.00101 -0.00091 0.00060 -0.00031 2.37121 R35 1.89516 0.00005 0.00023 -0.00000 0.00023 1.89538 A1 1.97651 -0.00019 -0.00326 -0.00037 -0.00363 1.97288 A2 1.97557 -0.00025 -0.00045 -0.00020 -0.00065 1.97492 A3 1.89730 -0.00007 0.00198 -0.00142 0.00056 1.89786 A4 1.89451 0.00039 0.00154 0.00152 0.00305 1.89756 A5 1.90020 0.00002 0.00211 -0.00006 0.00205 1.90225 A6 1.81141 0.00014 -0.00163 0.00059 -0.00105 1.81036 A7 1.91050 -0.00008 0.00200 -0.00073 0.00127 1.91177 A8 1.90409 -0.00009 -0.00185 -0.00008 -0.00193 1.90216 A9 1.95474 0.00004 -0.00023 0.00050 0.00028 1.95502 A10 1.88562 0.00007 0.00264 0.00011 0.00275 1.88837 A11 1.91320 0.00001 -0.00046 -0.00011 -0.00057 1.91263 A12 1.89433 0.00005 -0.00203 0.00031 -0.00172 1.89261 A13 1.89871 0.00049 0.00214 0.00163 0.00377 1.90248 A14 2.11743 -0.00027 0.00033 -0.00051 -0.00017 2.11726 A15 2.20387 -0.00017 0.00014 -0.00024 -0.00009 2.20378 A16 1.96162 0.00043 -0.00032 0.00060 0.00026 1.96187 A17 2.23201 -0.00012 -0.00041 -0.00037 -0.00089 2.23112 A18 2.03973 -0.00008 0.00045 -0.00032 0.00005 2.03978 A19 2.01093 0.00020 -0.00044 0.00072 0.00022 2.01115 A20 2.10839 -0.00001 0.00129 -0.00026 0.00104 2.10943 A21 2.02715 0.00011 -0.00062 0.00019 -0.00046 2.02668 A22 2.14764 -0.00010 -0.00065 0.00007 -0.00058 2.14707 A23 1.96233 0.00060 0.00177 0.00113 0.00283 1.96516 A24 2.20387 -0.00046 -0.00423 -0.00066 -0.00494 2.19892 A25 2.11531 -0.00014 0.00170 -0.00030 0.00133 2.11664 A26 2.08973 -0.00009 0.00012 -0.00010 0.00000 2.08974 A27 2.09344 -0.00063 -0.00197 -0.00036 -0.00234 2.09110 A28 2.09981 0.00072 0.00173 0.00045 0.00217 2.10198 A29 2.13360 -0.00020 -0.00066 -0.00020 -0.00088 2.13272 A30 1.98647 -0.00060 0.00235 -0.00090 0.00145 1.98792 A31 2.16270 0.00080 -0.00182 0.00113 -0.00069 2.16201 A32 1.87823 0.00023 -0.00010 0.00046 0.00037 1.87860 A33 1.90509 -0.00025 0.00358 -0.00084 0.00274 1.90783 A34 1.95915 0.00034 -0.00397 0.00148 -0.00249 1.95666 A35 1.87593 -0.00001 -0.00065 -0.00033 -0.00098 1.87495 A36 1.92794 -0.00026 0.00230 -0.00086 0.00145 1.92939 A37 1.91526 -0.00006 -0.00099 0.00001 -0.00098 1.91429 A38 2.07657 -0.00009 0.00177 0.00009 0.00186 2.07844 A39 2.11415 0.00009 -0.00240 0.00086 -0.00152 2.11263 A40 1.93185 0.00008 -0.00365 0.00175 -0.00194 1.92991 A41 1.79399 -0.00005 -0.00262 0.00101 -0.00167 1.79232 A42 1.93495 0.00009 0.00047 -0.00023 0.00027 1.93522 A43 1.93551 -0.00001 -0.00049 0.00037 -0.00012 1.93540 A44 1.97669 -0.00011 0.00381 -0.00150 0.00234 1.97903 A45 1.94111 0.00011 -0.00206 0.00080 -0.00125 1.93985 A46 1.88180 -0.00002 0.00074 -0.00038 0.00035 1.88215 A47 1.78633 0.00001 -0.00320 0.00109 -0.00217 1.78416 A48 1.91541 -0.00003 -0.00056 0.00014 -0.00041 1.91500 A49 1.96340 0.00001 0.00179 -0.00067 0.00115 1.96454 A50 1.92704 0.00003 -0.00061 0.00039 -0.00021 1.92684 A51 1.98315 -0.00003 0.00109 -0.00061 0.00051 1.98365 A52 1.88715 -0.00000 0.00124 -0.00027 0.00096 1.88811 A53 1.81961 -0.00033 -0.00113 -0.00004 -0.00122 1.81839 A54 2.00336 0.00005 0.00167 0.00019 0.00188 2.00524 A55 1.94061 0.00006 -0.00115 -0.00053 -0.00168 1.93893 A56 1.93402 0.00018 0.00077 0.00025 0.00103 1.93505 A57 1.88385 0.00008 -0.00042 0.00000 -0.00041 1.88345 A58 1.87944 -0.00003 0.00014 0.00012 0.00025 1.87970 A59 1.87542 0.00033 -0.00147 0.00065 -0.00084 1.87457 A60 2.26868 -0.00027 0.00145 -0.00040 0.00107 2.26975 A61 2.13898 -0.00006 -0.00003 -0.00023 -0.00025 2.13873 A62 1.98179 0.00036 0.00278 0.00039 0.00317 1.98496 D1 3.10120 -0.00011 0.00590 -0.00164 0.00425 3.10545 D2 1.04123 -0.00010 0.00263 -0.00130 0.00133 1.04256 D3 -1.05631 -0.00012 0.00656 -0.00196 0.00459 -1.05171 D4 -1.01601 0.00007 0.00497 -0.00004 0.00494 -1.01108 D5 -3.07598 0.00008 0.00171 0.00030 0.00201 -3.07397 D6 1.10966 0.00005 0.00563 -0.00035 0.00528 1.11494 D7 0.98689 0.00005 0.00395 -0.00032 0.00363 0.99052 D8 -1.07308 0.00006 0.00069 0.00002 0.00071 -1.07237 D9 3.11257 0.00003 0.00461 -0.00064 0.00397 3.11654 D10 -1.36376 -0.00016 -0.17136 -0.00338 -0.17474 -1.53849 D11 2.70987 0.00000 -0.16957 -0.00404 -0.17360 2.53627 D12 0.74892 -0.00037 -0.16950 -0.00546 -0.17497 0.57395 D13 1.64722 0.00003 0.01159 -0.00031 0.01127 1.65849 D14 -1.55646 0.00007 -0.00447 0.00279 -0.00166 -1.55813 D15 -2.42586 -0.00009 0.00817 0.00026 0.00841 -2.41745 D16 0.65363 -0.00005 -0.00789 0.00336 -0.00452 0.64911 D17 -0.40654 0.00016 0.01044 0.00113 0.01156 -0.39497 D18 2.67296 0.00021 -0.00561 0.00423 -0.00137 2.67159 D19 -3.08826 -0.00023 0.01770 -0.00499 0.01271 -3.07556 D20 0.01706 -0.00020 -0.00132 -0.00375 -0.00507 0.01199 D21 0.07706 0.00003 0.01190 0.00115 0.01304 0.09010 D22 -3.10080 0.00006 -0.00712 0.00239 -0.00473 -3.10554 D23 3.12684 0.00005 -0.00167 0.00142 -0.00024 3.12660 D24 -0.04468 0.00014 -0.00653 0.00253 -0.00401 -0.04869 D25 -0.03989 -0.00023 0.00449 -0.00509 -0.00060 -0.04050 D26 3.07177 -0.00014 -0.00037 -0.00398 -0.00437 3.06740 D27 3.12711 -0.00027 -0.01388 -0.00213 -0.01601 3.11109 D28 -0.01585 0.00021 -0.02027 0.00305 -0.01722 -0.03306 D29 0.02128 -0.00030 0.00487 -0.00334 0.00152 0.02280 D30 -3.12168 0.00018 -0.00152 0.00184 0.00032 -3.12136 D31 2.99513 -0.00022 -0.00305 -0.00075 -0.00386 2.99127 D32 -0.08794 -0.00024 0.01227 -0.00365 0.00864 -0.07930 D33 -0.14786 0.00027 -0.00960 0.00457 -0.00509 -0.15295 D34 3.05226 0.00025 0.00571 0.00166 0.00741 3.05966 D35 -2.95292 -0.00001 0.01953 -0.00343 0.01607 -2.93685 D36 0.20989 -0.00006 0.02721 -0.00334 0.02383 0.23372 D37 0.12156 0.00005 0.00216 -0.00004 0.00212 0.12368 D38 -2.99881 0.00000 0.00984 0.00005 0.00988 -2.98893 D39 -0.05295 0.00018 -0.01077 0.00463 -0.00615 -0.05910 D40 3.12163 0.00011 -0.00548 0.00345 -0.00203 3.11960 D41 3.06735 0.00021 -0.01851 0.00453 -0.01401 3.05334 D42 -0.04126 0.00014 -0.01322 0.00335 -0.00990 -0.05116 D43 -2.80786 0.00003 0.01354 0.00095 0.01449 -2.79337 D44 -0.77705 0.00002 0.01460 0.00037 0.01497 -0.76209 D45 1.35040 -0.00001 0.01321 0.00078 0.01398 1.36439 D46 0.35508 -0.00001 0.02128 0.00105 0.02233 0.37741 D47 2.38588 -0.00002 0.02234 0.00047 0.02281 2.40869 D48 -1.76985 -0.00005 0.02095 0.00088 0.02183 -1.74802 D49 1.22999 0.00008 0.00564 -0.00450 0.00114 1.23114 D50 -2.54457 0.00024 -0.00319 0.00089 -0.00231 -2.54688 D51 -0.86630 -0.00026 0.00682 -0.00549 0.00134 -0.86496 D52 1.64232 -0.00010 -0.00201 -0.00010 -0.00211 1.64021 D53 -2.93154 -0.00006 0.00683 -0.00457 0.00227 -2.92927 D54 -0.42292 0.00010 -0.00199 0.00082 -0.00118 -0.42410 D55 3.07527 0.00001 0.00824 -0.00369 0.00455 3.07982 D56 -1.09050 -0.00011 0.01145 -0.00498 0.00646 -1.08403 D57 0.99937 -0.00008 0.01236 -0.00536 0.00701 1.00638 D58 0.50559 -0.00014 0.01604 -0.00833 0.00770 0.51329 D59 2.62301 -0.00026 0.01924 -0.00962 0.00961 2.63262 D60 -1.57031 -0.00023 0.02016 -0.01000 0.01015 -1.56016 D61 -2.73604 0.00000 -0.00196 0.00237 0.00040 -2.73564 D62 0.42112 -0.00005 0.00182 0.00015 0.00196 0.42308 D63 -0.18058 0.00009 -0.00841 0.00685 -0.00154 -0.18213 D64 2.97658 0.00004 -0.00463 0.00463 0.00002 2.97660 D65 -0.60860 0.00004 -0.01674 0.00618 -0.01056 -0.61916 D66 1.43784 0.00007 -0.01934 0.00726 -0.01209 1.42575 D67 -2.74355 0.00006 -0.01698 0.00658 -0.01040 -2.75395 D68 -2.69730 0.00002 -0.01761 0.00658 -0.01102 -2.70832 D69 -0.65086 0.00006 -0.02021 0.00766 -0.01255 -0.66341 D70 1.45093 0.00004 -0.01785 0.00698 -0.01086 1.44008 D71 1.46339 0.00005 -0.01979 0.00756 -0.01223 1.45116 D72 -2.77336 0.00008 -0.02239 0.00864 -0.01376 -2.78712 D73 -0.67156 0.00007 -0.02003 0.00796 -0.01207 -0.68363 D74 0.50911 -0.00008 0.01188 -0.00232 0.00956 0.51866 D75 2.62803 -0.00006 0.01301 -0.00193 0.01108 2.63910 D76 -1.51650 -0.00002 0.01354 -0.00205 0.01149 -1.50500 D77 -1.52899 -0.00006 0.01448 -0.00323 0.01125 -1.51774 D78 0.58993 -0.00005 0.01561 -0.00284 0.01277 0.60270 D79 2.72859 -0.00001 0.01615 -0.00296 0.01319 2.74179 D80 2.63057 -0.00007 0.01255 -0.00274 0.00980 2.64037 D81 -1.53369 -0.00005 0.01368 -0.00235 0.01132 -1.52237 D82 0.60497 -0.00001 0.01422 -0.00247 0.01174 0.61671 D83 -0.22051 -0.00010 -0.00229 -0.00277 -0.00505 -0.22556 D84 2.90693 -0.00006 -0.00571 -0.00075 -0.00645 2.90048 D85 -2.38482 -0.00005 -0.00402 -0.00311 -0.00713 -2.39195 D86 0.74261 -0.00001 -0.00744 -0.00109 -0.00853 0.73408 D87 1.84437 -0.00016 -0.00438 -0.00339 -0.00777 1.83660 D88 -1.31138 -0.00012 -0.00780 -0.00137 -0.00918 -1.32055 D89 -0.01550 -0.00002 0.00121 -0.00018 0.00103 -0.01448 D90 -3.13947 -0.00008 0.00549 -0.00270 0.00280 -3.13667 Item Value Threshold Converged? Maximum Force 0.001231 0.000450 NO RMS Force 0.000270 0.000300 YES Maximum Displacement 0.313500 0.001800 NO RMS Displacement 0.037751 0.001200 NO Predicted change in Energy=-5.039095D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.666237 -5.045984 2.610280 2 6 0 6.366042 -5.158379 4.092858 3 8 0 6.932814 -6.281910 2.010228 4 8 0 3.314779 -2.211352 -0.650406 5 6 0 3.941464 -2.884171 0.104473 6 7 0 4.981867 -2.358842 0.835853 7 6 0 5.827357 -3.016697 1.678378 8 8 0 6.716737 -2.436743 2.232507 9 7 0 5.589363 -4.368068 1.846583 10 6 0 4.481818 -4.989806 1.257726 11 6 0 3.710291 -4.302659 0.399952 12 1 0 7.516097 -4.402752 2.478112 13 1 0 6.204954 -4.170217 4.505678 14 1 0 7.221787 -5.599671 4.593957 15 1 0 5.176809 -1.387541 0.710052 16 6 0 4.137571 -6.429569 1.623145 17 17 0 2.333791 -4.974716 -0.413792 18 1 0 5.503550 -5.774925 4.284665 19 1 0 7.857830 -6.468867 2.087128 20 1 0 3.510573 -6.825475 0.837926 21 1 0 5.033456 -7.013372 1.642681 22 7 0 3.468317 -6.521458 2.902049 23 6 0 2.098179 -6.028676 3.023741 24 6 0 1.740358 -6.385335 4.462827 25 6 0 2.469479 -7.714732 4.657715 26 6 0 3.672833 -7.615260 3.744497 27 1 0 2.050649 -4.968084 2.819943 28 1 0 1.439675 -6.533829 2.318392 29 1 0 2.138319 -5.633565 5.136062 30 1 0 0.671493 -6.448903 4.621431 31 1 0 2.773366 -7.922116 5.673736 32 1 0 1.860725 -8.547765 4.318604 33 7 0 4.642758 -8.408000 3.817319 34 1 0 5.369662 -8.218561 3.152698 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516835 0.000000 3 O 1.399514 2.433291 0.000000 4 O 5.468042 6.363468 6.061237 0.000000 5 C 4.286827 5.192091 4.911690 1.189648 0.000000 6 N 3.634064 4.512364 4.536056 2.238281 1.375981 7 C 2.385407 3.272109 3.463203 3.519214 2.459946 8 O 2.636930 3.315297 3.857642 4.464897 3.525742 9 N 1.484069 2.504710 2.344020 4.007507 2.820012 10 C 2.569872 3.408326 2.871092 3.566897 2.460827 11 C 3.765063 4.628479 4.110362 2.373447 1.467262 12 H 1.074001 2.121557 2.022466 5.678110 4.551731 13 H 2.138289 1.082974 3.349074 6.226994 5.113502 14 H 2.133115 1.085421 2.687864 7.365376 6.187885 15 H 4.383317 5.203544 5.359931 2.448809 2.032906 16 C 3.046784 3.561108 2.825778 4.862034 3.861952 17 Cl 5.283955 6.050015 5.360563 2.941854 2.687674 18 H 2.164893 1.077410 2.733659 6.468748 5.317008 19 H 1.928259 2.822369 0.946848 6.801459 5.667353 20 H 4.033118 4.639773 3.658072 4.852175 4.032059 21 H 2.733649 3.349650 2.068257 5.592092 4.539695 22 N 3.533955 3.416550 3.585452 5.587533 4.613041 23 C 4.690819 4.484983 4.946214 5.436123 4.669875 24 C 5.430476 4.799921 5.743478 6.785727 6.008183 25 C 5.378381 4.694380 5.383635 7.692716 6.799490 26 C 4.104643 3.662102 3.925938 6.974639 5.975377 27 H 4.621004 4.503236 5.120284 4.608787 3.910454 28 H 5.442043 5.413842 5.507541 5.568985 4.947766 29 H 5.217937 4.380379 5.760068 6.824868 6.010607 30 H 6.476871 5.862825 6.786045 7.261960 6.618379 31 H 5.728118 4.800493 5.780361 8.538192 7.600133 32 H 6.186581 5.642409 6.015712 8.182632 7.359665 33 N 4.105431 3.688586 3.609736 7.753873 6.692512 34 H 3.469952 3.352818 2.738485 7.400859 6.307705 6 7 8 9 10 6 N 0.000000 7 C 1.362892 0.000000 8 O 2.228561 1.197665 0.000000 9 N 2.329724 1.382439 2.269345 0.000000 10 C 2.711087 2.424991 3.530324 1.399987 0.000000 11 C 2.363332 2.787479 3.984798 2.372326 1.342833 12 H 3.646492 2.326492 2.136467 2.027890 3.322773 13 H 4.271373 3.076818 2.904162 2.736582 3.766976 14 H 5.444590 4.137244 3.979401 3.424868 4.360023 15 H 0.998626 2.003751 2.406257 3.216434 3.709349 16 C 4.231251 3.808691 4.792293 2.531286 1.524781 17 Cl 3.926413 4.518409 5.714405 4.009497 2.721805 18 H 4.882221 3.808596 4.102028 2.816178 3.289788 19 H 5.170025 4.025839 4.193001 3.101155 3.777961 20 H 4.702714 4.536589 5.611177 3.373070 2.118781 21 H 4.724223 4.074919 4.911910 2.710764 2.132444 22 N 4.887470 4.398384 5.261692 3.201551 2.465145 23 C 5.154627 4.978834 5.904160 4.041247 3.143214 24 C 6.314662 5.983681 6.732759 5.072370 4.442496 25 C 7.043030 6.497948 7.195693 5.369944 4.799443 26 C 6.148472 5.482481 6.194231 4.221305 3.705603 27 H 4.397362 4.401659 5.340893 3.718863 2.889909 28 H 5.672351 5.659646 6.681383 4.704576 3.572626 29 H 6.107485 5.693205 6.293824 4.932734 4.576888 30 H 7.045461 6.857444 7.638675 6.017898 5.287916 31 H 7.696272 7.025160 7.581658 5.933649 5.569416 32 H 7.757180 7.300526 8.079433 6.122377 5.375702 33 N 6.752514 5.919839 6.516818 4.593573 4.273344 34 H 6.313039 5.426094 6.007560 4.071916 3.847603 11 12 13 14 15 11 C 0.000000 12 H 4.337387 0.000000 13 H 4.806024 2.425736 0.000000 14 H 5.621611 2.448680 1.756440 0.000000 15 H 3.277919 4.205925 4.817379 6.083477 0.000000 16 C 2.490485 4.031550 4.205679 4.361976 5.228365 17 Cl 1.734530 5.962093 6.311442 7.025712 4.713131 18 H 4.524858 3.032629 1.765192 1.754626 5.668665 19 H 4.974043 2.130371 3.723598 2.728415 5.907968 20 H 2.568328 4.960244 5.269012 5.420652 5.688921 21 H 3.262377 3.698214 4.201510 3.936670 5.704413 22 N 3.352925 4.588372 3.948308 4.219096 5.837885 23 C 3.530199 5.682884 4.745060 5.375962 6.030858 24 C 4.972436 6.420973 4.984094 5.539000 7.132353 25 C 5.595569 6.417806 5.151744 5.202112 7.933916 26 C 4.707516 5.166683 4.342735 4.168843 7.089026 27 H 3.008913 5.505231 4.553739 5.503334 5.200462 28 H 3.716750 6.441266 5.751414 6.283603 6.560276 29 H 5.164605 6.123733 4.367642 5.112404 6.844758 30 H 5.626859 7.458495 5.985398 6.605171 7.823947 31 H 6.464602 6.715015 5.216981 5.133041 8.550752 32 H 6.066106 7.249261 6.170109 6.124382 8.676801 33 N 5.422335 5.107990 4.568709 3.891178 7.695919 34 H 5.066104 4.429746 4.349409 3.516557 7.257172 16 17 18 19 20 16 C 0.000000 17 Cl 3.085342 0.000000 18 H 3.062376 5.723916 0.000000 19 H 3.749287 6.245166 3.294444 0.000000 20 H 1.080017 2.525257 4.117720 4.537215 0.000000 21 H 1.069494 3.958963 2.955473 2.910517 1.732659 22 N 1.446353 3.830713 2.571208 4.464827 2.086819 23 C 2.506293 3.603190 3.640174 5.851888 2.721678 24 C 3.716501 5.111108 3.816537 6.563108 4.057991 25 C 3.693615 5.765959 3.620442 6.098723 4.057763 26 C 2.474263 5.104593 2.651441 4.644921 3.016329 27 H 2.814873 3.246115 3.836525 6.042576 3.083776 28 H 2.787989 3.270338 4.577909 6.422649 2.562315 29 H 4.119614 5.592243 3.474139 6.535024 4.666659 30 H 4.582989 5.503630 4.890443 7.620140 4.745217 31 H 4.527255 6.777787 3.740835 6.389637 5.013098 32 H 4.115371 5.948617 4.578206 6.728043 4.219407 33 N 2.997299 5.917860 2.809352 4.134064 3.558512 34 H 2.656703 5.697271 2.696411 3.223018 3.279492 21 22 23 24 25 21 H 0.000000 22 N 2.068247 0.000000 23 C 3.390104 1.461137 0.000000 24 C 4.380884 2.332467 1.525192 0.000000 25 C 4.019492 2.346049 2.377082 1.528690 0.000000 26 C 2.575110 1.395689 2.348674 2.400660 1.513910 27 H 3.803457 2.104637 1.081040 2.191791 3.331201 28 H 3.688063 2.110971 1.089186 2.170498 2.815575 29 H 4.742299 2.747374 2.149331 1.084793 2.160957 30 H 5.312090 3.283864 2.182805 1.082436 2.199180 31 H 4.709907 3.182302 3.326179 2.212487 1.080580 32 H 4.425059 2.949051 2.842335 2.170575 1.086059 33 N 2.612792 2.403346 3.572931 3.596079 2.431056 34 H 1.961037 2.560878 3.938887 4.271885 3.306053 26 27 28 29 30 26 C 0.000000 27 H 3.239417 0.000000 28 H 2.861863 1.753968 0.000000 29 H 2.866758 2.411423 3.039382 0.000000 30 H 3.337280 2.709291 2.429260 1.755334 0.000000 31 H 2.150619 4.170462 3.868385 2.435126 2.774089 32 H 2.117286 3.885380 2.869507 3.039385 2.431296 33 N 1.254789 4.421178 4.002380 3.963432 4.500623 34 H 1.895634 4.657486 4.356511 4.588847 5.230837 31 32 33 34 31 H 0.000000 32 H 1.749496 0.000000 33 N 2.678991 2.830288 0.000000 34 H 3.631014 3.712190 1.002994 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.196155 2.433668 -0.345904 2 6 0 0.865283 2.729131 0.696611 3 8 0 0.318269 2.358722 -1.645285 4 8 0 -3.674058 -1.720251 0.394785 5 6 0 -2.825692 -0.896705 0.263223 6 7 0 -2.987180 0.380272 0.749615 7 6 0 -2.141003 1.439942 0.613385 8 8 0 -2.422355 2.512847 1.065180 9 7 0 -0.961497 1.193740 -0.064322 10 6 0 -0.625066 -0.095895 -0.492832 11 6 0 -1.518078 -1.091593 -0.373190 12 1 0 -0.940796 3.206725 -0.308867 13 1 0 0.402020 2.810701 1.672093 14 1 0 1.334193 3.679883 0.463516 15 1 0 -3.842876 0.577242 1.225264 16 6 0 0.765047 -0.368754 -1.056827 17 17 0 -1.226954 -2.719417 -0.896669 18 1 0 1.629022 1.969607 0.721867 19 1 0 0.318050 3.225029 -2.027429 20 1 0 0.710184 -1.278285 -1.636639 21 1 0 1.036993 0.420990 -1.724784 22 7 0 1.760971 -0.490203 -0.015039 23 6 0 1.742575 -1.666484 0.851533 24 6 0 2.974630 -1.457783 1.726001 25 6 0 3.955535 -0.804198 0.752582 26 6 0 3.069856 -0.049130 -0.215595 27 1 0 0.820649 -1.716395 1.413857 28 1 0 1.826459 -2.581305 0.266391 29 1 0 2.736968 -0.777649 2.536994 30 1 0 3.339995 -2.381517 2.155993 31 1 0 4.677485 -0.142877 1.209853 32 1 0 4.504275 -1.553019 0.188954 33 7 0 3.518260 0.814953 -1.007297 34 1 0 2.815270 1.235893 -1.585753 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4575390 0.3000042 0.2166928 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.8457016187 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.53D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999985 -0.003541 -0.000385 -0.004201 Ang= -0.63 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16056818 A.U. after 13 cycles NFock= 13 Conv=0.74D-08 -V/T= 2.0011 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 -0.000124823 -0.000629367 -0.001066597 2 6 0.000071412 -0.000528597 0.000133854 3 8 0.000345713 0.000198778 0.001329264 4 8 -0.000644312 0.000550238 -0.000125444 5 6 0.001002066 -0.001236717 -0.000327882 6 7 0.000544732 0.000427835 -0.000331281 7 6 -0.002101358 0.000452806 0.000681765 8 8 0.001146081 0.000462761 -0.000062212 9 7 0.000558061 0.000276415 -0.000131233 10 6 0.000152432 0.000112425 0.000576158 11 6 -0.000763251 0.000534363 -0.000315972 12 1 0.000129188 -0.000095682 0.000524399 13 1 -0.000055235 0.000201822 -0.000072692 14 1 0.000103826 0.000056704 -0.000044135 15 1 -0.000150346 -0.000001191 -0.000109126 16 6 -0.000692452 -0.000102929 -0.000108087 17 17 -0.000253594 0.000336590 -0.000307915 18 1 -0.000105594 0.000100034 0.000077889 19 1 0.000419111 -0.000297634 -0.000546512 20 1 0.000079666 -0.000271923 0.000306613 21 1 0.000395512 -0.000102283 -0.000039466 22 7 -0.000428206 -0.001499763 -0.000188154 23 6 0.000720605 -0.000508287 -0.000691341 24 6 0.000188429 -0.000064584 0.000520201 25 6 -0.000023098 -0.000360074 0.000084197 26 6 -0.001211094 0.001869425 0.000003564 27 1 0.000004294 0.000350198 0.000372561 28 1 0.000086272 0.000411022 -0.000088273 29 1 -0.000204084 0.000106721 0.000081130 30 1 -0.000127269 -0.000128487 -0.000094643 31 1 0.000084491 0.000034479 0.000106091 32 1 -0.000136027 -0.000043518 0.000017748 33 7 0.000973506 -0.000377911 -0.000027422 34 1 0.000015348 -0.000233670 -0.000137047 ------------------------------------------------------------------- Cartesian Forces: Max 0.002101358 RMS 0.000534057 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001323920 RMS 0.000324287 Search for a local minimum. Step number 17 out of a maximum of 197 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 15 16 17 DE= -6.27D-05 DEPred=-5.04D-05 R= 1.24D+00 TightC=F SS= 1.41D+00 RLast= 3.16D-01 DXNew= 9.6464D-01 9.4698D-01 Trust test= 1.24D+00 RLast= 3.16D-01 DXMaxT set to 9.47D-01 ITU= 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00003 0.00250 0.00444 0.00555 0.00870 Eigenvalues --- 0.00920 0.01091 0.01151 0.01213 0.01376 Eigenvalues --- 0.01620 0.01905 0.02127 0.02353 0.02556 Eigenvalues --- 0.02991 0.03200 0.03423 0.03726 0.03883 Eigenvalues --- 0.04940 0.05082 0.05363 0.05426 0.05509 Eigenvalues --- 0.05773 0.05823 0.06182 0.06210 0.06637 Eigenvalues --- 0.06779 0.06878 0.07519 0.08340 0.08580 Eigenvalues --- 0.09109 0.09514 0.10084 0.10952 0.13706 Eigenvalues --- 0.15964 0.15993 0.15999 0.16046 0.16510 Eigenvalues --- 0.16789 0.19559 0.20360 0.20724 0.22075 Eigenvalues --- 0.22703 0.23296 0.23758 0.24733 0.24971 Eigenvalues --- 0.25054 0.25252 0.26233 0.27468 0.27975 Eigenvalues --- 0.28358 0.28640 0.30649 0.31697 0.32084 Eigenvalues --- 0.32462 0.33744 0.33810 0.33812 0.33834 Eigenvalues --- 0.33844 0.33914 0.33957 0.34001 0.34283 Eigenvalues --- 0.34478 0.34942 0.36021 0.36362 0.37253 Eigenvalues --- 0.37875 0.39099 0.39990 0.42516 0.43613 Eigenvalues --- 0.47656 0.48776 0.49301 0.51100 0.56819 Eigenvalues --- 0.59974 0.66803 0.78601 0.88721 0.99257 Eigenvalues --- 1.25899 Eigenvalue 1 is 2.57D-05 Eigenvector: D12 D10 D11 D36 D28 1 -0.56002 -0.55844 -0.55549 0.07017 -0.05391 D47 D46 D35 D48 D27 1 0.05325 0.05217 0.05167 0.05044 -0.04713 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 17 16 15 14 13 12 11 10 9 8 RFO step: Lambda=-1.94458553D-04. 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: 3.00000 -0.87668 -1.12332 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.09146123 RMS(Int)= 0.05430472 Iteration 2 RMS(Cart)= 0.02424088 RMS(Int)= 0.02887019 Iteration 3 RMS(Cart)= 0.02375852 RMS(Int)= 0.00416062 Iteration 4 RMS(Cart)= 0.00399521 RMS(Int)= 0.00014896 Iteration 5 RMS(Cart)= 0.00007154 RMS(Int)= 0.00012928 Iteration 6 RMS(Cart)= 0.00000002 RMS(Int)= 0.00012928 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86640 0.00010 -0.00372 -0.00115 -0.00487 2.86153 R2 2.64470 -0.00010 0.00280 0.00000 0.00280 2.64750 R3 2.80448 0.00120 0.00175 0.00290 0.00465 2.80913 R4 2.02957 -0.00002 0.00012 -0.00031 -0.00019 2.02938 R5 2.04652 0.00016 0.00034 0.00011 0.00045 2.04698 R6 2.05115 0.00004 -0.00163 -0.00059 -0.00222 2.04893 R7 2.03601 0.00004 -0.00038 0.00006 -0.00032 2.03569 R8 1.78928 0.00042 -0.00193 -0.00075 -0.00267 1.78661 R9 2.24811 0.00073 -0.00002 0.00015 0.00013 2.24824 R10 2.60023 0.00004 0.00195 0.00036 0.00226 2.60249 R11 2.77272 -0.00030 0.00040 -0.00003 0.00035 2.77308 R12 2.57549 0.00007 0.00109 0.00017 0.00122 2.57671 R13 1.88713 -0.00002 -0.00005 -0.00000 -0.00005 1.88708 R14 2.26326 0.00105 0.00099 0.00053 0.00151 2.26477 R15 2.61243 0.00097 -0.00512 -0.00077 -0.00587 2.60656 R16 2.64559 0.00101 -0.00442 -0.00029 -0.00465 2.64094 R17 2.53759 0.00132 -0.00083 0.00000 -0.00080 2.53679 R18 2.88142 0.00096 0.00008 -0.00011 -0.00003 2.88138 R19 3.27779 0.00022 -0.00073 -0.00012 -0.00085 3.27694 R20 2.04094 -0.00017 0.00147 0.00030 0.00177 2.04271 R21 2.02105 0.00039 0.00025 0.00012 0.00036 2.02141 R22 2.73321 0.00002 -0.00045 -0.00001 -0.00047 2.73275 R23 2.76115 -0.00047 0.00130 0.00021 0.00150 2.76265 R24 2.63747 -0.00073 0.00316 0.00093 0.00414 2.64161 R25 2.88219 0.00059 -0.00350 -0.00018 -0.00373 2.87847 R26 2.04287 0.00027 -0.00098 -0.00005 -0.00103 2.04184 R27 2.05826 -0.00019 0.00113 0.00012 0.00125 2.05952 R28 2.88881 -0.00002 -0.00194 -0.00013 -0.00210 2.88671 R29 2.04996 0.00005 0.00021 0.00006 0.00027 2.05023 R30 2.04551 0.00012 0.00026 0.00006 0.00031 2.04582 R31 2.86087 0.00010 -0.00008 -0.00003 -0.00007 2.86080 R32 2.04200 0.00012 -0.00002 -0.00002 -0.00004 2.04196 R33 2.05235 0.00010 0.00083 0.00018 0.00101 2.05336 R34 2.37121 0.00114 -0.00081 -0.00017 -0.00099 2.37022 R35 1.89538 0.00006 0.00060 0.00017 0.00077 1.89616 A1 1.97288 -0.00046 -0.00917 -0.00494 -0.01408 1.95880 A2 1.97492 -0.00032 -0.00188 -0.00035 -0.00219 1.97273 A3 1.89786 -0.00010 0.00178 -0.00077 0.00102 1.89888 A4 1.89756 0.00086 0.00732 0.00570 0.01299 1.91055 A5 1.90225 -0.00001 0.00644 0.00099 0.00741 1.90966 A6 1.81036 0.00007 -0.00365 -0.00022 -0.00391 1.80646 A7 1.91177 -0.00024 0.00365 -0.00000 0.00365 1.91542 A8 1.90216 -0.00009 -0.00519 -0.00169 -0.00689 1.89527 A9 1.95502 0.00018 0.00092 0.00044 0.00135 1.95637 A10 1.88837 0.00011 0.00737 0.00234 0.00972 1.89809 A11 1.91263 -0.00002 -0.00157 -0.00069 -0.00226 1.91037 A12 1.89261 0.00006 -0.00501 -0.00033 -0.00537 1.88724 A13 1.90248 0.00083 0.00998 0.00508 0.01506 1.91754 A14 2.11726 -0.00025 -0.00042 -0.00019 -0.00052 2.11673 A15 2.20378 -0.00016 -0.00011 -0.00018 -0.00020 2.20357 A16 1.96187 0.00040 0.00059 0.00033 0.00075 1.96262 A17 2.23112 -0.00006 -0.00226 -0.00076 -0.00385 2.22727 A18 2.03978 -0.00015 0.00027 -0.00028 -0.00057 2.03921 A19 2.01115 0.00021 0.00043 0.00050 0.00038 2.01152 A20 2.10943 -0.00025 0.00352 -0.00015 0.00342 2.11285 A21 2.02668 0.00028 -0.00140 -0.00002 -0.00155 2.02514 A22 2.14707 -0.00002 -0.00212 0.00018 -0.00189 2.14518 A23 1.96516 0.00018 0.00694 0.00265 0.00916 1.97432 A24 2.19892 0.00022 -0.01316 -0.00353 -0.01702 2.18191 A25 2.11664 -0.00039 0.00417 0.00029 0.00403 2.12066 A26 2.08974 -0.00024 -0.00013 0.00006 -0.00015 2.08959 A27 2.09110 0.00019 -0.00614 -0.00123 -0.00746 2.08364 A28 2.10198 0.00005 0.00589 0.00106 0.00684 2.10882 A29 2.13272 -0.00001 -0.00231 -0.00066 -0.00307 2.12965 A30 1.98792 -0.00077 0.00401 0.00051 0.00452 1.99244 A31 2.16201 0.00078 -0.00198 0.00007 -0.00189 2.16011 A32 1.87860 0.00003 0.00023 0.00101 0.00125 1.87985 A33 1.90783 -0.00035 0.00784 0.00079 0.00862 1.91645 A34 1.95666 0.00084 -0.00603 -0.00147 -0.00749 1.94918 A35 1.87495 0.00005 -0.00295 -0.00057 -0.00353 1.87142 A36 1.92939 -0.00037 0.00400 0.00092 0.00492 1.93431 A37 1.91429 -0.00022 -0.00285 -0.00062 -0.00345 1.91084 A38 2.07844 0.00010 0.00636 0.00058 0.00698 2.08541 A39 2.11263 -0.00004 -0.00335 -0.00166 -0.00493 2.10770 A40 1.92991 0.00003 -0.00508 -0.00064 -0.00585 1.92406 A41 1.79232 0.00000 -0.00480 -0.00000 -0.00506 1.78725 A42 1.93522 0.00012 0.00068 0.00014 0.00092 1.93614 A43 1.93540 -0.00002 -0.00031 0.00009 -0.00018 1.93522 A44 1.97903 -0.00022 0.00654 0.00037 0.00701 1.98603 A45 1.93985 0.00012 -0.00337 -0.00062 -0.00396 1.93589 A46 1.88215 -0.00000 0.00102 0.00002 0.00101 1.88316 A47 1.78416 -0.00006 -0.00625 -0.00043 -0.00697 1.77719 A48 1.91500 -0.00002 -0.00104 -0.00038 -0.00137 1.91364 A49 1.96454 0.00004 0.00325 0.00032 0.00367 1.96821 A50 1.92684 0.00006 -0.00052 -0.00003 -0.00050 1.92634 A51 1.98365 0.00001 0.00137 0.00019 0.00167 1.98533 A52 1.88811 -0.00003 0.00270 0.00027 0.00292 1.89103 A53 1.81839 -0.00033 -0.00326 -0.00020 -0.00367 1.81473 A54 2.00524 0.00003 0.00561 0.00071 0.00639 2.01163 A55 1.93893 0.00008 -0.00511 -0.00084 -0.00594 1.93300 A56 1.93505 0.00018 0.00313 0.00033 0.00353 1.93858 A57 1.88345 0.00008 -0.00154 -0.00020 -0.00173 1.88172 A58 1.87970 -0.00003 0.00074 0.00013 0.00086 1.88055 A59 1.87457 0.00042 -0.00263 -0.00007 -0.00282 1.87176 A60 2.26975 -0.00040 0.00340 0.00024 0.00369 2.27345 A61 2.13873 -0.00002 -0.00084 -0.00019 -0.00097 2.13776 A62 1.98496 0.00027 0.00846 0.00244 0.01089 1.99585 D1 3.10545 -0.00030 0.01216 0.00321 0.01536 3.12081 D2 1.04256 -0.00024 0.00417 0.00137 0.00554 1.04810 D3 -1.05171 -0.00037 0.01332 0.00263 0.01594 -1.03578 D4 -1.01108 0.00023 0.01317 0.00667 0.01985 -0.99123 D5 -3.07397 0.00030 0.00518 0.00483 0.01003 -3.06394 D6 1.11494 0.00016 0.01433 0.00609 0.02043 1.13537 D7 0.99052 0.00008 0.00873 0.00572 0.01444 1.00497 D8 -1.07237 0.00014 0.00074 0.00389 0.00463 -1.06774 D9 3.11654 0.00001 0.00989 0.00514 0.01502 3.13156 D10 -1.53849 -0.00012 -0.46890 -0.15594 -0.62486 -2.16335 D11 2.53627 -0.00003 -0.46542 -0.15630 -0.62164 1.91463 D12 0.57395 -0.00055 -0.46813 -0.15947 -0.62766 -0.05371 D13 1.65849 -0.00002 0.02857 0.00878 0.03728 1.69577 D14 -1.55813 0.00003 -0.00694 -0.00015 -0.00698 -1.56511 D15 -2.41745 -0.00019 0.02088 0.00650 0.02728 -2.39017 D16 0.64911 -0.00014 -0.01463 -0.00243 -0.01698 0.63214 D17 -0.39497 0.00022 0.02962 0.01000 0.03953 -0.35545 D18 2.67159 0.00026 -0.00589 0.00108 -0.00473 2.66686 D19 -3.07556 -0.00029 0.03660 0.00852 0.04508 -3.03047 D20 0.01199 -0.00021 -0.01182 -0.00419 -0.01603 -0.00405 D21 0.09010 0.00002 0.03410 0.00984 0.04396 0.13406 D22 -3.10554 0.00010 -0.01432 -0.00286 -0.01716 -3.12270 D23 3.12660 0.00005 -0.00140 -0.00095 -0.00233 3.12427 D24 -0.04869 0.00027 -0.01080 -0.00352 -0.01441 -0.06309 D25 -0.04050 -0.00028 0.00124 -0.00235 -0.00113 -0.04163 D26 3.06740 -0.00007 -0.00816 -0.00492 -0.01321 3.05419 D27 3.11109 -0.00029 -0.04107 -0.01314 -0.05429 3.05680 D28 -0.03306 0.00031 -0.04817 -0.01036 -0.05853 -0.09159 D29 0.02280 -0.00037 0.00668 -0.00059 0.00602 0.02882 D30 -3.12136 0.00024 -0.00042 0.00219 0.00178 -3.11958 D31 2.99127 -0.00029 -0.00802 -0.00559 -0.01410 2.97717 D32 -0.07930 -0.00036 0.02624 0.00305 0.02945 -0.04986 D33 -0.15295 0.00033 -0.01529 -0.00274 -0.01842 -0.17137 D34 3.05966 0.00026 0.01897 0.00590 0.02513 3.08479 D35 -2.93685 0.00001 0.04276 0.01296 0.05549 -2.88136 D36 0.23372 -0.00017 0.06030 0.01723 0.07719 0.31091 D37 0.12368 0.00009 0.00441 0.00339 0.00782 0.13151 D38 -2.98893 -0.00009 0.02195 0.00766 0.02952 -2.95941 D39 -0.05910 0.00021 -0.01832 -0.00363 -0.02204 -0.08114 D40 3.11960 0.00001 -0.00807 -0.00080 -0.00890 3.11070 D41 3.05334 0.00040 -0.03611 -0.00797 -0.04430 3.00903 D42 -0.05116 0.00019 -0.02585 -0.00514 -0.03116 -0.08232 D43 -2.79337 0.00008 0.03170 0.01359 0.04528 -2.74809 D44 -0.76209 -0.00003 0.03247 0.01389 0.04637 -0.71571 D45 1.36439 0.00000 0.03032 0.01268 0.04298 1.40737 D46 0.37741 -0.00010 0.04943 0.01791 0.06735 0.44475 D47 2.40869 -0.00021 0.05020 0.01822 0.06844 2.47713 D48 -1.74802 -0.00018 0.04805 0.01701 0.06505 -1.68297 D49 1.23114 -0.00006 -0.00032 -0.00119 -0.00150 1.22964 D50 -2.54688 0.00011 -0.00566 -0.00441 -0.01011 -2.55698 D51 -0.86496 -0.00040 0.00066 -0.00212 -0.00144 -0.86640 D52 1.64021 -0.00023 -0.00468 -0.00535 -0.01005 1.63016 D53 -2.92927 -0.00010 0.00361 -0.00160 0.00205 -2.92722 D54 -0.42410 0.00007 -0.00173 -0.00482 -0.00656 -0.43066 D55 3.07982 -0.00004 0.01673 -0.00256 0.01413 3.09395 D56 -1.08403 -0.00023 0.02197 -0.00206 0.01989 -1.06414 D57 1.00638 -0.00017 0.02350 -0.00188 0.02165 1.02802 D58 0.51329 -0.00016 0.02148 0.00076 0.02218 0.53547 D59 2.63262 -0.00036 0.02672 0.00127 0.02795 2.66057 D60 -1.56016 -0.00029 0.02825 0.00144 0.02970 -1.53045 D61 -2.73564 -0.00007 -0.00271 0.00310 0.00035 -2.73529 D62 0.42308 -0.00018 0.00207 0.00381 0.00586 0.42894 D63 -0.18213 0.00011 -0.00391 0.00057 -0.00330 -0.18543 D64 2.97660 -0.00000 0.00086 0.00128 0.00220 2.97880 D65 -0.61916 0.00006 -0.02971 -0.00183 -0.03153 -0.65069 D66 1.42575 0.00009 -0.03397 -0.00224 -0.03623 1.38952 D67 -2.75395 0.00007 -0.02912 -0.00195 -0.03104 -2.78499 D68 -2.70832 0.00003 -0.03084 -0.00218 -0.03299 -2.74130 D69 -0.66341 0.00006 -0.03510 -0.00259 -0.03769 -0.70110 D70 1.44008 0.00003 -0.03025 -0.00231 -0.03250 1.40757 D71 1.45116 0.00010 -0.03438 -0.00201 -0.03639 1.41476 D72 -2.78712 0.00013 -0.03864 -0.00242 -0.04110 -2.82822 D73 -0.68363 0.00010 -0.03379 -0.00213 -0.03591 -0.71954 D74 0.51866 -0.00011 0.02726 0.00201 0.02925 0.54792 D75 2.63910 -0.00011 0.03213 0.00270 0.03481 2.67391 D76 -1.50500 -0.00006 0.03328 0.00274 0.03602 -1.46898 D77 -1.51774 -0.00009 0.03197 0.00268 0.03467 -1.48306 D78 0.60270 -0.00008 0.03684 0.00338 0.04023 0.64293 D79 2.74179 -0.00003 0.03799 0.00342 0.04144 2.78323 D80 2.64037 -0.00009 0.02787 0.00222 0.03005 2.67043 D81 -1.52237 -0.00009 0.03274 0.00291 0.03561 -1.48676 D82 0.61671 -0.00004 0.03389 0.00295 0.03682 0.65353 D83 -0.22556 -0.00011 -0.01472 -0.00158 -0.01627 -0.24183 D84 2.90048 -0.00002 -0.01901 -0.00222 -0.02119 2.87929 D85 -2.39195 -0.00004 -0.02120 -0.00251 -0.02369 -2.41564 D86 0.73408 0.00006 -0.02549 -0.00314 -0.02861 0.70548 D87 1.83660 -0.00015 -0.02294 -0.00273 -0.02568 1.81092 D88 -1.32055 -0.00006 -0.02723 -0.00337 -0.03060 -1.35115 D89 -0.01448 -0.00013 0.00181 0.00072 0.00251 -0.01197 D90 -3.13667 -0.00026 0.00721 0.00152 0.00874 -3.12793 Item Value Threshold Converged? Maximum Force 0.001324 0.000450 NO RMS Force 0.000324 0.000300 NO Maximum Displacement 1.083205 0.001800 NO RMS Displacement 0.120910 0.001200 NO Predicted change in Energy=-2.373653D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.716126 -5.053560 2.594453 2 6 0 6.448937 -5.241021 4.073117 3 8 0 7.004863 -6.263769 1.950392 4 8 0 3.291677 -2.246348 -0.599179 5 6 0 3.925263 -2.909514 0.158587 6 7 0 4.935617 -2.360797 0.916684 7 6 0 5.815177 -3.013603 1.728748 8 8 0 6.707984 -2.426713 2.271683 9 7 0 5.604337 -4.367744 1.884979 10 6 0 4.514485 -5.010427 1.291464 11 6 0 3.734295 -4.338991 0.429756 12 1 0 7.543457 -4.379371 2.475049 13 1 0 6.251541 -4.280802 4.533948 14 1 0 7.331338 -5.672960 4.531795 15 1 0 5.110650 -1.385071 0.796176 16 6 0 4.188919 -6.447448 1.683740 17 17 0 2.384393 -5.044452 -0.399177 18 1 0 5.618799 -5.903279 4.254045 19 1 0 7.841371 -6.203850 1.513920 20 1 0 3.616872 -6.886519 0.878481 21 1 0 5.092934 -7.012015 1.774572 22 7 0 3.455165 -6.508286 2.928380 23 6 0 2.069153 -6.045156 2.969961 24 6 0 1.667130 -6.344759 4.408296 25 6 0 2.387699 -7.666862 4.665829 26 6 0 3.635202 -7.575514 3.813070 27 1 0 2.003709 -4.998944 2.707991 28 1 0 1.451209 -6.605361 2.268472 29 1 0 2.052591 -5.570684 5.063514 30 1 0 0.594063 -6.400036 4.540588 31 1 0 2.636746 -7.862617 5.698912 32 1 0 1.797584 -8.504009 4.303016 33 7 0 4.612405 -8.347171 3.964079 34 1 0 5.379309 -8.170346 3.341658 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514258 0.000000 3 O 1.400996 2.420956 0.000000 4 O 5.459540 6.384881 6.035539 0.000000 5 C 4.280105 5.208493 4.893417 1.189718 0.000000 6 N 3.638145 4.533089 4.536906 2.239079 1.377176 7 C 2.392191 3.295316 3.468149 3.517950 2.459271 8 O 2.646616 3.351507 3.861912 4.466042 3.527294 9 N 1.486530 2.502781 2.358105 4.002469 2.815343 10 C 2.558684 3.396008 2.864791 3.565098 2.458543 11 C 3.753377 4.632172 4.088241 2.373557 1.467449 12 H 1.073902 2.119961 2.028867 5.663770 4.540683 13 H 2.138839 1.083213 3.342815 6.264885 5.141574 14 H 2.124955 1.084245 2.668198 7.374783 6.193781 15 H 4.389666 5.234281 5.359286 2.448974 2.033614 16 C 3.026399 3.503180 2.834498 4.864772 3.861682 17 Cl 5.265530 6.046534 5.325030 2.948314 2.691346 18 H 2.163421 1.077242 2.712553 6.507106 5.348222 19 H 1.938271 3.068452 0.945433 6.389579 5.293910 20 H 3.988693 4.575364 3.607671 4.880616 4.053384 21 H 2.672546 3.202886 2.060645 5.620570 4.561292 22 N 3.586307 3.446601 3.690068 5.534845 4.565513 23 C 4.766406 4.587603 5.044655 5.353902 4.602306 24 C 5.518114 4.918970 5.877010 6.671651 5.912707 25 C 5.463993 4.767564 5.537190 7.610483 6.731396 26 C 4.163816 3.665323 4.067537 6.927189 5.933880 27 H 4.714101 4.656418 5.213950 4.491439 3.815436 28 H 5.498517 5.485932 5.573233 5.532788 4.922585 29 H 5.302097 4.518565 5.890407 6.682263 5.886174 30 H 6.563542 5.986769 6.915637 7.137748 6.517866 31 H 5.845494 4.903955 5.973957 8.463886 7.542461 32 H 6.246346 5.686391 6.137530 8.088396 7.280226 33 N 4.141182 3.610112 3.757573 7.732250 6.672485 34 H 3.472715 3.203137 2.865848 7.414995 6.318429 6 7 8 9 10 6 N 0.000000 7 C 1.363536 0.000000 8 O 2.231962 1.198467 0.000000 9 N 2.326503 1.379333 2.266093 0.000000 10 C 2.708939 2.422875 3.528150 1.397526 0.000000 11 C 2.365063 2.788208 3.986518 2.369717 1.342410 12 H 3.647461 2.325777 2.133599 2.026944 3.312668 13 H 4.301474 3.108915 2.960377 2.728272 3.750122 14 H 5.457008 4.150662 4.004347 3.419321 4.344347 15 H 0.998599 2.004536 2.411143 3.213340 3.707281 16 C 4.224529 3.799740 4.780969 2.523702 1.524763 17 Cl 3.929661 4.519147 5.716597 4.005414 2.719691 18 H 4.914662 3.842645 4.147601 2.823217 3.285359 19 H 4.854807 3.785404 4.015661 2.917754 3.541457 20 H 4.714096 4.533759 5.602307 3.362630 2.120373 21 H 4.732288 4.063377 4.886768 2.695532 2.138773 22 N 4.841521 4.384242 5.260353 3.207732 2.458705 23 C 5.099712 4.976306 5.924481 4.060594 3.141284 24 C 6.224654 5.956750 6.732489 5.077137 4.427473 25 C 6.978703 6.482813 7.201108 5.381828 4.792306 26 C 6.105194 5.468795 6.190962 4.229044 3.702877 27 H 4.331822 4.407696 5.379306 3.747037 2.882825 28 H 5.655506 5.677697 6.715265 4.733125 3.589153 29 H 5.984264 5.640602 6.273082 4.915797 4.539072 30 H 6.949620 6.828939 7.636442 6.023730 5.278023 31 H 7.643595 7.026917 7.607229 5.963793 5.575526 32 H 7.684631 7.274096 8.072910 6.119392 5.353140 33 N 6.725159 5.906802 6.504420 4.598090 4.276250 34 H 6.310961 5.420651 5.991623 4.078276 3.864751 11 12 13 14 15 11 C 0.000000 12 H 4.323721 0.000000 13 H 4.815008 2.432659 0.000000 14 H 5.616486 2.438969 1.761837 0.000000 15 H 3.279368 4.207492 4.863931 6.105104 0.000000 16 C 2.494945 4.019456 4.131881 4.311153 5.221591 17 Cl 1.734082 5.943016 6.314563 7.012971 4.717246 18 H 4.541315 3.031737 1.763842 1.750137 5.712204 19 H 4.639093 2.083565 3.917428 3.106371 5.585035 20 H 2.589409 4.924722 5.205159 5.349456 5.701234 21 H 3.286257 3.664225 4.051673 3.795497 5.711398 22 N 3.320674 4.631621 3.919088 4.277081 5.790876 23 C 3.483725 5.743499 4.801184 5.501676 5.974314 24 C 4.911727 6.490871 5.029168 5.705245 7.035890 25 C 5.552689 6.495302 5.139267 5.332277 7.864449 26 C 4.683130 5.223034 4.268491 4.218732 7.042739 27 H 2.936124 5.579152 4.679094 5.671348 5.134997 28 H 3.705373 6.489467 5.794751 6.369294 6.542980 29 H 5.081035 6.186193 4.424411 5.306445 6.714258 30 H 5.568474 7.526195 6.041378 6.776399 7.718163 31 H 6.433083 6.826573 5.220467 5.309986 8.492092 32 H 6.008358 7.305420 6.142193 6.220097 8.599628 33 N 5.415535 5.152835 4.421185 3.855684 7.665161 34 H 5.085718 4.450398 4.160637 3.385820 7.252007 16 17 18 19 20 16 C 0.000000 17 Cl 3.092451 0.000000 18 H 2.991178 5.731618 0.000000 19 H 3.664503 5.897691 3.540968 0.000000 20 H 1.080955 2.558246 4.045851 4.326224 0.000000 21 H 1.069686 3.991576 2.766518 2.876626 1.731325 22 N 1.446107 3.789722 2.608589 4.618678 2.090765 23 C 2.511894 3.528721 3.777432 5.955144 2.734523 24 C 3.713916 5.031606 3.979245 6.820449 4.068734 25 C 3.691100 5.703624 3.704025 6.466643 4.057562 26 C 2.472484 5.070879 2.631632 4.985921 3.014442 27 H 2.814676 3.130732 4.034475 6.079137 3.084209 28 H 2.803909 3.228563 4.669500 6.447071 2.588672 29 H 4.093346 5.498000 3.672016 6.819860 4.657564 30 H 4.592039 5.426248 5.057356 7.856379 4.773371 31 H 4.531396 6.722531 3.849583 6.881409 5.014975 32 H 4.099821 5.867153 4.622541 7.042525 4.201610 33 N 2.998038 5.908468 2.658857 4.585120 3.556052 34 H 2.670973 5.721414 2.455484 3.642730 3.289626 21 22 23 24 25 21 H 0.000000 22 N 2.065745 0.000000 23 C 3.392200 1.461933 0.000000 24 C 4.372399 2.326793 1.523218 0.000000 25 C 4.013289 2.345317 2.367988 1.527579 0.000000 26 C 2.568655 1.397878 2.346345 2.396322 1.513871 27 H 3.803556 2.105566 1.080496 2.194434 3.331420 28 H 3.697494 2.112046 1.089849 2.166422 2.784082 29 H 4.705131 2.721233 2.146710 1.084934 2.159724 30 H 5.316503 3.285854 2.183736 1.082603 2.199469 31 H 4.707104 3.190591 3.327537 2.215793 1.080558 32 H 4.413435 2.936002 2.810114 2.165748 1.086593 33 N 2.609117 2.406943 3.571509 3.589099 2.429937 34 H 1.969645 2.575961 3.951168 4.272091 3.310084 26 27 28 29 30 26 C 0.000000 27 H 3.243714 0.000000 28 H 2.845487 1.754711 0.000000 29 H 2.843872 2.424410 3.040473 0.000000 30 H 3.340592 2.703437 2.437083 1.757435 0.000000 31 H 2.153078 4.188910 3.841108 2.449066 2.766481 32 H 2.116363 3.856433 2.804319 3.041016 2.435489 33 N 1.254267 4.426475 3.987749 3.933228 4.502308 34 H 1.902095 4.674827 4.362439 4.559615 5.241185 31 32 33 34 31 H 0.000000 32 H 1.750458 0.000000 33 N 2.673512 2.839489 0.000000 34 H 3.629462 3.723479 1.003403 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.303117 2.458249 -0.355607 2 6 0 0.803406 2.798749 0.620427 3 8 0 0.152258 2.417243 -1.679896 4 8 0 -3.572297 -1.846316 0.412347 5 6 0 -2.756819 -0.988649 0.290560 6 7 0 -2.946805 0.261392 0.836378 7 6 0 -2.163768 1.366383 0.678021 8 8 0 -2.486305 2.424111 1.140086 9 7 0 -0.994069 1.183067 -0.029622 10 6 0 -0.613917 -0.077481 -0.498219 11 6 0 -1.464654 -1.110670 -0.394151 12 1 0 -1.080373 3.194093 -0.268007 13 1 0 0.404045 2.840193 1.626481 14 1 0 1.203051 3.773389 0.363625 15 1 0 -3.799895 0.411459 1.333285 16 6 0 0.789414 -0.274487 -1.061028 17 17 0 -1.119561 -2.706038 -0.979600 18 1 0 1.609817 2.085451 0.583592 19 1 0 -0.355621 3.010460 -2.212810 20 1 0 0.764791 -1.137913 -1.710916 21 1 0 1.059996 0.567384 -1.662914 22 7 0 1.766834 -0.449896 -0.009788 23 6 0 1.766900 -1.683902 0.774097 24 6 0 2.965343 -1.487369 1.693500 25 6 0 3.954021 -0.776234 0.771383 26 6 0 3.071988 0.027655 -0.160061 27 1 0 0.830602 -1.807890 1.298925 28 1 0 1.908028 -2.552500 0.131141 29 1 0 2.688670 -0.841770 2.520383 30 1 0 3.339678 -2.418816 2.098850 31 1 0 4.673894 -0.142011 1.268525 32 1 0 4.504814 -1.494491 0.170201 33 7 0 3.518847 0.952542 -0.879843 34 1 0 2.825393 1.412111 -1.440856 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4508684 0.3032801 0.2179818 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1704.4974717534 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.50D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999849 -0.009314 -0.001576 -0.014562 Ang= -1.99 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16124230 A.U. after 14 cycles NFock= 14 Conv=0.69D-08 -V/T= 2.0011 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 0.001369802 -0.002296055 -0.004574897 2 6 0.000684748 -0.003097135 -0.000231266 3 8 0.001567780 0.002511946 0.007148005 4 8 -0.000973478 0.000497552 0.000288051 5 6 0.001737697 -0.000982778 -0.001195570 6 7 0.001164413 0.000242780 -0.001038099 7 6 -0.002720934 0.001347265 0.002009939 8 8 0.000635915 0.000732720 -0.000718720 9 7 0.000205161 0.001083171 -0.001470818 10 6 -0.000582088 0.000483895 0.001686729 11 6 -0.001133876 0.000225186 0.000017548 12 1 0.000448478 -0.000775298 0.001498963 13 1 0.000098821 0.000030923 -0.000819288 14 1 0.000236570 0.000527822 0.000262584 15 1 -0.000284688 0.000090006 -0.000114739 16 6 -0.001433526 -0.000800520 -0.001383271 17 17 -0.000113225 0.000398753 -0.000604265 18 1 -0.000445758 0.000607674 0.000530024 19 1 0.000303691 0.000294027 -0.002003267 20 1 -0.000213154 -0.000302656 0.000399979 21 1 0.000048518 0.000454837 -0.000190122 22 7 -0.000236391 -0.002885510 0.000298399 23 6 0.000965848 -0.000795754 -0.001236877 24 6 -0.000156065 0.000126322 0.001021341 25 6 -0.000237428 -0.001073521 -0.000145729 26 6 -0.001853558 0.003641802 -0.000067020 27 1 -0.000052045 0.000423262 0.000920998 28 1 0.000275069 0.000896312 -0.000077638 29 1 -0.000506873 0.000119135 0.000165899 30 1 -0.000040079 -0.000170303 -0.000218427 31 1 0.000264565 0.000332866 -0.000005074 32 1 -0.000061763 -0.000110858 0.000301495 33 7 0.001898484 -0.001030858 0.000369169 34 1 -0.000860632 -0.000747012 -0.000824037 ------------------------------------------------------------------- Cartesian Forces: Max 0.007148005 RMS 0.001346746 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005066631 RMS 0.001133890 Search for a local minimum. Step number 18 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 17 18 DE= -6.74D-04 DEPred=-2.37D-04 R= 2.84D+00 TightC=F SS= 1.41D+00 RLast= 1.12D+00 DXNew= 1.5926D+00 3.3612D+00 Trust test= 2.84D+00 RLast= 1.12D+00 DXMaxT set to 1.59D+00 ITU= 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00127 0.00248 0.00390 0.00504 0.00825 Eigenvalues --- 0.00900 0.01005 0.01099 0.01183 0.01371 Eigenvalues --- 0.01553 0.01901 0.02096 0.02355 0.02517 Eigenvalues --- 0.02897 0.03128 0.03264 0.03729 0.03859 Eigenvalues --- 0.04931 0.05061 0.05384 0.05427 0.05487 Eigenvalues --- 0.05757 0.05788 0.06178 0.06254 0.06570 Eigenvalues --- 0.06745 0.06752 0.07400 0.08300 0.08556 Eigenvalues --- 0.08872 0.09420 0.10022 0.10895 0.13593 Eigenvalues --- 0.15495 0.15924 0.15998 0.16003 0.16477 Eigenvalues --- 0.16508 0.19185 0.20217 0.20635 0.21831 Eigenvalues --- 0.22535 0.23082 0.23658 0.24668 0.24918 Eigenvalues --- 0.24981 0.25170 0.26066 0.27438 0.27850 Eigenvalues --- 0.28315 0.28600 0.30590 0.31605 0.32074 Eigenvalues --- 0.32414 0.33734 0.33760 0.33809 0.33827 Eigenvalues --- 0.33838 0.33905 0.33948 0.33961 0.34269 Eigenvalues --- 0.34470 0.34912 0.35761 0.36254 0.37162 Eigenvalues --- 0.37311 0.39037 0.39801 0.40962 0.42634 Eigenvalues --- 0.47571 0.48776 0.49258 0.51039 0.56536 Eigenvalues --- 0.58386 0.64843 0.77737 0.88496 0.94173 Eigenvalues --- 1.03043 RFO step: Lambda=-2.68189220D-03 EMin=-1.26697330D-03 Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.11971083 RMS(Int)= 0.04472062 Iteration 2 RMS(Cart)= 0.02442371 RMS(Int)= 0.01940590 Iteration 3 RMS(Cart)= 0.01833151 RMS(Int)= 0.00138606 Iteration 4 RMS(Cart)= 0.00140041 RMS(Int)= 0.00007711 Iteration 5 RMS(Cart)= 0.00000478 RMS(Int)= 0.00007705 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00007705 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86153 -0.00011 0.00000 -0.00755 -0.00755 2.85399 R2 2.64750 -0.00440 0.00000 -0.02709 -0.02709 2.62041 R3 2.80913 0.00507 0.00000 0.01360 0.01360 2.82274 R4 2.02938 -0.00031 0.00000 0.00182 0.00182 2.03120 R5 2.04698 -0.00034 0.00000 -0.00452 -0.00452 2.04245 R6 2.04893 0.00009 0.00000 -0.00020 -0.00020 2.04872 R7 2.03569 0.00006 0.00000 0.00034 0.00034 2.03603 R8 1.78661 0.00121 0.00000 0.00727 0.00727 1.79388 R9 2.24824 0.00061 0.00000 0.00046 0.00046 2.24870 R10 2.60249 -0.00082 0.00000 0.00042 0.00042 2.60290 R11 2.77308 -0.00051 0.00000 0.00106 0.00107 2.77415 R12 2.57671 -0.00023 0.00000 0.00313 0.00313 2.57984 R13 1.88708 0.00005 0.00000 0.00020 0.00020 1.88728 R14 2.26477 0.00051 0.00000 -0.00010 -0.00010 2.26467 R15 2.60656 0.00252 0.00000 -0.00129 -0.00130 2.60527 R16 2.64094 0.00416 0.00000 0.00355 0.00354 2.64448 R17 2.53679 0.00179 0.00000 0.00261 0.00262 2.53941 R18 2.88138 0.00211 0.00000 0.00379 0.00379 2.88517 R19 3.27694 0.00021 0.00000 0.00047 0.00047 3.27741 R20 2.04271 -0.00006 0.00000 -0.00144 -0.00144 2.04127 R21 2.02141 -0.00022 0.00000 -0.00014 -0.00014 2.02127 R22 2.73275 0.00079 0.00000 -0.00248 -0.00248 2.73027 R23 2.76265 -0.00027 0.00000 0.00150 0.00145 2.76410 R24 2.64161 -0.00118 0.00000 0.00314 0.00312 2.64473 R25 2.87847 0.00114 0.00000 -0.00360 -0.00362 2.87485 R26 2.04184 0.00019 0.00000 -0.00091 -0.00091 2.04093 R27 2.05952 -0.00057 0.00000 0.00204 0.00204 2.06156 R28 2.88671 0.00004 0.00000 -0.00241 -0.00237 2.88434 R29 2.05023 0.00001 0.00000 -0.00073 -0.00073 2.04950 R30 2.04582 0.00002 0.00000 0.00026 0.00026 2.04608 R31 2.86080 0.00013 0.00000 0.00002 0.00007 2.86087 R32 2.04196 -0.00000 0.00000 0.00029 0.00029 2.04225 R33 2.05336 0.00002 0.00000 0.00035 0.00035 2.05372 R34 2.37022 0.00185 0.00000 -0.00063 -0.00063 2.36960 R35 1.89616 -0.00028 0.00000 -0.00235 -0.00235 1.89381 A1 1.95880 -0.00292 0.00000 -0.04663 -0.04664 1.91216 A2 1.97273 -0.00065 0.00000 0.00266 0.00264 1.97537 A3 1.89888 0.00009 0.00000 0.00047 0.00044 1.89932 A4 1.91055 0.00395 0.00000 0.01641 0.01607 1.92662 A5 1.90966 -0.00009 0.00000 0.01574 0.01530 1.92496 A6 1.80646 -0.00018 0.00000 0.01726 0.01705 1.82351 A7 1.91542 -0.00150 0.00000 -0.01673 -0.01671 1.89872 A8 1.89527 0.00034 0.00000 0.00696 0.00690 1.90217 A9 1.95637 0.00106 0.00000 0.01156 0.01152 1.96789 A10 1.89809 0.00016 0.00000 0.00099 0.00101 1.89910 A11 1.91037 -0.00007 0.00000 -0.00493 -0.00490 1.90547 A12 1.88724 0.00001 0.00000 0.00235 0.00223 1.88948 A13 1.91754 0.00060 0.00000 -0.02541 -0.02541 1.89213 A14 2.11673 -0.00009 0.00000 0.00145 0.00140 2.11814 A15 2.20357 -0.00023 0.00000 -0.00242 -0.00247 2.20110 A16 1.96262 0.00031 0.00000 0.00134 0.00130 1.96393 A17 2.22727 0.00016 0.00000 -0.00369 -0.00391 2.22335 A18 2.03921 -0.00035 0.00000 0.00095 0.00074 2.03996 A19 2.01152 0.00021 0.00000 -0.00086 -0.00107 2.01046 A20 2.11285 -0.00150 0.00000 -0.00085 -0.00088 2.11196 A21 2.02514 0.00134 0.00000 0.00065 0.00058 2.02572 A22 2.14518 0.00017 0.00000 0.00009 0.00005 2.14523 A23 1.97432 -0.00238 0.00000 0.00766 0.00765 1.98198 A24 2.18191 0.00439 0.00000 -0.00734 -0.00736 2.17455 A25 2.12066 -0.00197 0.00000 0.00082 0.00079 2.12145 A26 2.08959 -0.00097 0.00000 -0.00306 -0.00318 2.08640 A27 2.08364 0.00480 0.00000 0.00109 0.00096 2.08460 A28 2.10882 -0.00382 0.00000 0.00067 0.00054 2.10936 A29 2.12965 0.00110 0.00000 -0.00031 -0.00038 2.12927 A30 1.99244 -0.00157 0.00000 -0.00343 -0.00352 1.98893 A31 2.16011 0.00049 0.00000 0.00278 0.00269 2.16281 A32 1.87985 -0.00089 0.00000 -0.00718 -0.00722 1.87263 A33 1.91645 -0.00046 0.00000 0.01041 0.01043 1.92688 A34 1.94918 0.00241 0.00000 -0.00563 -0.00565 1.94352 A35 1.87142 0.00031 0.00000 0.00357 0.00358 1.87501 A36 1.93431 -0.00057 0.00000 -0.00238 -0.00244 1.93187 A37 1.91084 -0.00088 0.00000 0.00163 0.00163 1.91247 A38 2.08541 0.00096 0.00000 0.00907 0.00916 2.09458 A39 2.10770 -0.00049 0.00000 0.00608 0.00615 2.11385 A40 1.92406 -0.00030 0.00000 -0.00741 -0.00767 1.91639 A41 1.78725 0.00020 0.00000 -0.00479 -0.00503 1.78222 A42 1.93614 0.00019 0.00000 -0.00269 -0.00259 1.93355 A43 1.93522 -0.00006 0.00000 -0.00057 -0.00051 1.93471 A44 1.98603 -0.00063 0.00000 0.00691 0.00698 1.99301 A45 1.93589 0.00025 0.00000 -0.00064 -0.00060 1.93529 A46 1.88316 0.00006 0.00000 0.00142 0.00137 1.88453 A47 1.77719 -0.00031 0.00000 -0.00593 -0.00603 1.77116 A48 1.91364 0.00003 0.00000 -0.00091 -0.00091 1.91273 A49 1.96821 0.00017 0.00000 0.00416 0.00420 1.97241 A50 1.92634 0.00018 0.00000 0.00040 0.00041 1.92675 A51 1.98533 0.00008 0.00000 -0.00070 -0.00065 1.98467 A52 1.89103 -0.00014 0.00000 0.00253 0.00251 1.89354 A53 1.81473 -0.00039 0.00000 0.00197 0.00185 1.81658 A54 2.01163 0.00007 0.00000 0.01098 0.01095 2.02258 A55 1.93300 0.00009 0.00000 -0.01297 -0.01297 1.92003 A56 1.93858 0.00019 0.00000 0.00720 0.00715 1.94574 A57 1.88172 0.00007 0.00000 -0.00760 -0.00764 1.87408 A58 1.88055 -0.00003 0.00000 -0.00073 -0.00068 1.87987 A59 1.87176 0.00088 0.00000 -0.00365 -0.00380 1.86795 A60 2.27345 -0.00064 0.00000 0.01121 0.01124 2.28469 A61 2.13776 -0.00022 0.00000 -0.00728 -0.00725 2.13051 A62 1.99585 -0.00041 0.00000 0.00376 0.00376 1.99961 D1 3.12081 -0.00150 0.00000 -0.00060 -0.00063 3.12018 D2 1.04810 -0.00103 0.00000 0.00378 0.00379 1.05189 D3 -1.03578 -0.00192 0.00000 -0.01081 -0.01087 -1.04665 D4 -0.99123 0.00097 0.00000 -0.01357 -0.01346 -1.00469 D5 -3.06394 0.00144 0.00000 -0.00919 -0.00905 -3.07299 D6 1.13537 0.00055 0.00000 -0.02377 -0.02371 1.11166 D7 1.00497 0.00044 0.00000 0.00938 0.00931 1.01427 D8 -1.06774 0.00091 0.00000 0.01376 0.01372 -1.05402 D9 3.13156 0.00002 0.00000 -0.00083 -0.00094 3.13062 D10 -2.16335 -0.00028 0.00000 -0.54683 -0.54678 -2.71014 D11 1.91463 -0.00030 0.00000 -0.52842 -0.52826 1.38636 D12 -0.05371 -0.00214 0.00000 -0.56596 -0.56616 -0.61987 D13 1.69577 0.00028 0.00000 0.00671 0.00682 1.70259 D14 -1.56511 0.00054 0.00000 0.01760 0.01770 -1.54741 D15 -2.39017 -0.00096 0.00000 -0.03991 -0.04008 -2.43025 D16 0.63214 -0.00070 0.00000 -0.02902 -0.02920 0.60294 D17 -0.35545 0.00060 0.00000 -0.00560 -0.00553 -0.36098 D18 2.66686 0.00086 0.00000 0.00529 0.00535 2.67221 D19 -3.03047 -0.00061 0.00000 0.04351 0.04353 -2.98694 D20 -0.00405 -0.00027 0.00000 0.00360 0.00362 -0.00042 D21 0.13406 0.00005 0.00000 0.02699 0.02698 0.16104 D22 -3.12270 0.00039 0.00000 -0.01292 -0.01293 -3.13563 D23 3.12427 0.00011 0.00000 -0.01527 -0.01528 3.10899 D24 -0.06309 0.00078 0.00000 -0.03789 -0.03784 -0.10093 D25 -0.04163 -0.00059 0.00000 0.00230 0.00228 -0.03935 D26 3.05419 0.00008 0.00000 -0.02032 -0.02028 3.03391 D27 3.05680 -0.00022 0.00000 -0.01495 -0.01492 3.04188 D28 -0.09159 0.00075 0.00000 -0.03247 -0.03245 -0.12405 D29 0.02882 -0.00052 0.00000 0.02432 0.02431 0.05313 D30 -3.11958 0.00045 0.00000 0.00679 0.00678 -3.11280 D31 2.97717 -0.00020 0.00000 0.01808 0.01814 2.99530 D32 -0.04986 -0.00095 0.00000 0.00828 0.00827 -0.04159 D33 -0.17137 0.00078 0.00000 0.00019 0.00023 -0.17114 D34 3.08479 0.00003 0.00000 -0.00961 -0.00963 3.07516 D35 -2.88136 -0.00001 0.00000 0.00561 0.00567 -2.87570 D36 0.31091 -0.00035 0.00000 0.03481 0.03483 0.34574 D37 0.13151 0.00030 0.00000 0.01772 0.01775 0.14925 D38 -2.95941 -0.00004 0.00000 0.04692 0.04691 -2.91249 D39 -0.08114 0.00036 0.00000 -0.02295 -0.02296 -0.10409 D40 3.11070 -0.00032 0.00000 0.00204 0.00207 3.11276 D41 3.00903 0.00096 0.00000 -0.05256 -0.05253 2.95650 D42 -0.08232 0.00028 0.00000 -0.02757 -0.02751 -0.10983 D43 -2.74809 -0.00019 0.00000 -0.09511 -0.09510 -2.84319 D44 -0.71571 -0.00056 0.00000 -0.08931 -0.08934 -0.80505 D45 1.40737 -0.00039 0.00000 -0.08384 -0.08388 1.32349 D46 0.44475 -0.00062 0.00000 -0.06547 -0.06543 0.37932 D47 2.47713 -0.00099 0.00000 -0.05968 -0.05967 2.41746 D48 -1.68297 -0.00082 0.00000 -0.05421 -0.05421 -1.73718 D49 1.22964 -0.00095 0.00000 -0.09246 -0.09246 1.13718 D50 -2.55698 -0.00073 0.00000 -0.08160 -0.08159 -2.63857 D51 -0.86640 -0.00105 0.00000 -0.07797 -0.07798 -0.94438 D52 1.63016 -0.00083 0.00000 -0.06710 -0.06711 1.56306 D53 -2.92722 -0.00054 0.00000 -0.08191 -0.08192 -3.00915 D54 -0.43066 -0.00033 0.00000 -0.07105 -0.07105 -0.50171 D55 3.09395 -0.00006 0.00000 0.05194 0.05193 -3.13730 D56 -1.06414 -0.00059 0.00000 0.05596 0.05594 -1.00820 D57 1.02802 -0.00043 0.00000 0.05560 0.05562 1.08364 D58 0.53547 -0.00013 0.00000 0.03823 0.03822 0.57370 D59 2.66057 -0.00066 0.00000 0.04225 0.04223 2.70280 D60 -1.53045 -0.00050 0.00000 0.04189 0.04191 -1.48854 D61 -2.73529 -0.00059 0.00000 -0.04907 -0.04899 -2.78428 D62 0.42894 -0.00108 0.00000 -0.06297 -0.06300 0.36594 D63 -0.18543 0.00005 0.00000 -0.03409 -0.03401 -0.21944 D64 2.97880 -0.00045 0.00000 -0.04798 -0.04802 2.93078 D65 -0.65069 0.00006 0.00000 -0.02554 -0.02553 -0.67621 D66 1.38952 0.00011 0.00000 -0.02846 -0.02846 1.36105 D67 -2.78499 0.00007 0.00000 -0.02311 -0.02309 -2.80809 D68 -2.74130 0.00002 0.00000 -0.02276 -0.02272 -2.76403 D69 -0.70110 0.00007 0.00000 -0.02568 -0.02566 -0.72676 D70 1.40757 0.00003 0.00000 -0.02033 -0.02029 1.38728 D71 1.41476 0.00021 0.00000 -0.02914 -0.02916 1.38561 D72 -2.82822 0.00026 0.00000 -0.03206 -0.03209 -2.86031 D73 -0.71954 0.00022 0.00000 -0.02671 -0.02672 -0.74627 D74 0.54792 -0.00027 0.00000 0.00652 0.00646 0.55438 D75 2.67391 -0.00027 0.00000 0.02335 0.02335 2.69727 D76 -1.46898 -0.00018 0.00000 0.02022 0.02018 -1.44880 D77 -1.48306 -0.00021 0.00000 0.01046 0.01044 -1.47263 D78 0.64293 -0.00021 0.00000 0.02729 0.02733 0.67026 D79 2.78323 -0.00012 0.00000 0.02416 0.02415 2.80738 D80 2.67043 -0.00023 0.00000 0.00735 0.00732 2.67774 D81 -1.48676 -0.00023 0.00000 0.02419 0.02421 -1.46255 D82 0.65353 -0.00014 0.00000 0.02105 0.02103 0.67457 D83 -0.24183 -0.00008 0.00000 0.01640 0.01645 -0.22537 D84 2.87929 0.00036 0.00000 0.02926 0.02924 2.90852 D85 -2.41564 -0.00003 0.00000 -0.00226 -0.00224 -2.41787 D86 0.70548 0.00042 0.00000 0.01060 0.01054 0.71602 D87 1.81092 -0.00014 0.00000 -0.00085 -0.00081 1.81011 D88 -1.35115 0.00031 0.00000 0.01201 0.01198 -1.33917 D89 -0.01197 -0.00089 0.00000 -0.02632 -0.02628 -0.03825 D90 -3.12793 -0.00146 0.00000 -0.04214 -0.04218 3.11308 Item Value Threshold Converged? Maximum Force 0.005067 0.000450 NO RMS Force 0.001134 0.000300 NO Maximum Displacement 0.524469 0.001800 NO RMS Displacement 0.129380 0.001200 NO Predicted change in Energy=-2.711457D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.689055 -5.020888 2.665495 2 6 0 6.350411 -5.255512 4.118482 3 8 0 7.039191 -6.223425 2.070404 4 8 0 3.317946 -2.323494 -0.686001 5 6 0 3.926742 -2.961667 0.112817 6 7 0 4.858053 -2.374107 0.940257 7 6 0 5.738105 -3.000900 1.774753 8 8 0 6.571355 -2.380335 2.372071 9 7 0 5.584772 -4.364989 1.902882 10 6 0 4.552431 -5.050096 1.252328 11 6 0 3.793991 -4.404228 0.350436 12 1 0 7.505929 -4.324665 2.607833 13 1 0 6.100667 -4.308236 4.575065 14 1 0 7.218246 -5.667677 4.620813 15 1 0 4.996997 -1.390508 0.837099 16 6 0 4.237278 -6.489067 1.653653 17 17 0 2.514408 -5.151568 -0.550707 18 1 0 5.528118 -5.939251 4.249529 19 1 0 7.596341 -6.037837 1.324569 20 1 0 3.648155 -6.922449 0.858712 21 1 0 5.138306 -7.060022 1.732537 22 7 0 3.520150 -6.540728 2.906845 23 6 0 2.174401 -5.975832 3.003469 24 6 0 1.821001 -6.240110 4.459363 25 6 0 2.425214 -7.625534 4.671971 26 6 0 3.633436 -7.644377 3.759962 27 1 0 2.177043 -4.930655 2.731383 28 1 0 1.486129 -6.495845 2.335642 29 1 0 2.315608 -5.510958 5.091780 30 1 0 0.756363 -6.195238 4.651345 31 1 0 2.693446 -7.872209 5.689392 32 1 0 1.738461 -8.389249 4.316720 33 7 0 4.518537 -8.528464 3.845643 34 1 0 5.254714 -8.447884 3.170457 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.510265 0.000000 3 O 1.386659 2.367677 0.000000 4 O 5.465605 6.393405 6.054329 0.000000 5 C 4.287998 5.213564 4.915135 1.189961 0.000000 6 N 3.651639 4.542108 4.566382 2.240359 1.377397 7 C 2.403764 3.309269 3.487822 3.517295 2.458578 8 O 2.659412 3.371263 3.883197 4.465390 3.526493 9 N 1.493727 2.507611 2.365836 4.001065 2.814731 10 C 2.561846 3.389656 2.868785 3.565870 2.459981 11 C 3.757814 4.632294 4.098670 2.372820 1.468015 12 H 1.074865 2.117489 2.027798 5.691505 4.570934 13 H 2.121445 1.080820 3.289696 6.273879 5.143039 14 H 2.126417 1.084137 2.616391 7.386350 6.203105 15 H 4.402926 5.247616 5.389684 2.451430 2.034347 16 C 3.031597 3.473092 2.845165 4.865301 3.861756 17 Cl 5.271500 6.043761 5.337862 2.943124 2.688981 18 H 2.168024 1.077422 2.666961 6.505230 5.342546 19 H 1.911919 3.157582 0.949278 6.011938 4.939344 20 H 4.015902 4.550491 3.668237 4.862670 4.040020 21 H 2.726408 3.227722 2.104142 5.621187 4.570328 22 N 3.522800 3.336198 3.630973 5.543870 4.558683 23 C 4.626905 4.381915 4.959647 5.315963 4.528992 24 C 5.329391 4.647708 5.739069 6.637431 5.837362 25 C 5.384279 4.618498 5.479310 7.590551 6.692692 26 C 4.173411 3.635542 4.058679 6.941031 5.942682 27 H 4.513395 4.409827 5.074311 4.447185 3.714196 28 H 5.418002 5.327118 5.566064 5.467576 4.836110 29 H 5.025343 4.158389 5.652306 6.674381 5.821058 30 H 6.365495 5.697403 6.792347 7.073851 6.411359 31 H 5.765317 4.763219 5.890761 8.474897 7.532107 32 H 6.211343 5.579398 6.150973 8.019686 7.205555 33 N 4.290335 3.760640 3.849464 7.776816 6.728554 34 H 3.749216 3.505786 3.056582 7.492095 6.419599 6 7 8 9 10 6 N 0.000000 7 C 1.365191 0.000000 8 O 2.232831 1.198413 0.000000 9 N 2.327741 1.378647 2.265467 0.000000 10 C 2.711403 2.424450 3.529519 1.399400 0.000000 11 C 2.366750 2.788834 3.987093 2.370344 1.343796 12 H 3.687374 2.360418 2.170122 2.046808 3.329684 13 H 4.300787 3.111643 2.965053 2.722118 3.740050 14 H 5.473993 4.171639 4.035087 3.428174 4.339893 15 H 0.998707 2.005443 2.411328 3.213863 3.709803 16 C 4.222226 3.799271 4.779720 2.527758 1.526768 17 Cl 3.928096 4.519443 5.716746 4.008235 2.723007 18 H 4.910246 3.847404 4.156811 2.826351 3.275023 19 H 4.590080 3.588689 3.940200 2.679417 3.200974 20 H 4.707219 4.537133 5.609470 3.373630 2.116212 21 H 4.760678 4.103416 4.935799 2.737070 2.147942 22 N 4.797726 4.327972 5.186975 3.162980 2.454591 23 C 4.942798 4.802079 5.714847 3.928962 3.094917 24 C 6.045971 5.748332 6.466878 4.921142 4.377433 25 C 6.886354 6.384071 7.070512 5.318065 4.780366 26 C 6.101325 5.471066 6.186094 4.243918 3.723315 27 H 4.114836 4.161762 5.093449 3.552324 2.800775 28 H 5.505061 5.532499 6.542040 4.639688 3.558928 29 H 5.791287 5.386701 5.942139 4.708477 4.467345 30 H 6.722877 6.579995 7.318655 5.849563 5.222528 31 H 7.580827 6.951547 7.496899 5.915912 5.577427 32 H 7.570620 7.175866 7.952709 6.067568 5.334686 33 N 6.814150 6.027428 6.647177 4.716534 4.338833 34 H 6.482430 5.643695 6.259882 4.287856 3.964516 11 12 13 14 15 11 C 0.000000 12 H 4.345188 0.000000 13 H 4.814297 2.417651 0.000000 14 H 5.617646 2.436911 1.760441 0.000000 15 H 3.281246 4.247295 4.868637 6.127366 0.000000 16 C 2.498286 4.034746 4.094250 4.285427 5.219123 17 Cl 1.734332 5.964514 6.312369 7.009784 4.715382 18 H 4.535022 3.035423 1.758976 1.751610 5.711203 19 H 4.251527 2.142405 3.974202 3.338443 5.347138 20 H 2.573140 4.968936 5.163352 5.336048 5.694051 21 H 3.281864 3.722091 4.071662 3.821899 5.741531 22 N 3.342881 4.570205 3.798163 4.168430 5.743666 23 C 3.483044 5.595362 4.546026 5.305764 5.803914 24 C 4.913902 6.278176 4.696920 5.429916 6.835670 25 C 5.561118 6.400786 4.952051 5.177738 7.758600 26 C 4.706295 5.229158 4.228647 4.183212 7.036569 27 H 2.925843 5.364654 4.379656 5.433863 4.906434 28 H 3.693526 6.405162 5.576254 6.226157 6.374660 29 H 5.088302 5.875094 4.005023 4.927700 6.501560 30 H 5.561719 7.296000 5.668172 6.483454 7.457673 31 H 6.460848 6.726148 5.054976 5.145448 8.418049 32 H 5.986402 7.259809 5.979151 6.125967 8.468069 33 N 5.454426 5.303641 4.565688 4.009166 7.760843 34 H 5.141730 4.731326 4.452554 3.699802 7.437576 16 17 18 19 20 16 C 0.000000 17 Cl 3.101030 0.000000 18 H 2.950785 5.722339 0.000000 19 H 3.405174 5.488914 3.583665 0.000000 20 H 1.080193 2.531376 3.999822 4.072804 0.000000 21 H 1.069610 3.967398 2.782684 2.693183 1.732930 22 N 1.444794 3.859527 2.489278 4.401344 2.087330 23 C 2.518109 3.664313 3.577908 5.676265 2.769119 24 C 3.711116 5.173639 3.725219 6.574374 4.094969 25 C 3.699375 5.779691 3.556687 6.361323 4.065816 26 C 2.477075 5.103743 2.595563 4.921049 2.989758 27 H 2.799056 3.306771 3.814674 5.707343 3.104563 28 H 2.834427 3.345960 4.506710 6.210212 2.652861 29 H 4.058353 5.657416 3.348589 6.508120 4.656915 30 H 4.603179 5.589393 4.795480 7.607727 4.824455 31 H 4.536925 6.809757 3.720873 6.815789 5.014877 32 H 4.116637 5.897162 4.513148 6.985475 4.213817 33 N 3.007169 5.894731 2.808273 4.693816 3.501229 34 H 2.678215 5.676446 2.744518 3.833908 3.201898 21 22 23 24 25 21 H 0.000000 22 N 2.065695 0.000000 23 C 3.402275 1.462698 0.000000 24 C 4.371767 2.321161 1.521303 0.000000 25 C 4.039919 2.343365 2.359729 1.526328 0.000000 26 C 2.591632 1.399530 2.342031 2.397092 1.513907 27 H 3.781663 2.104058 1.080016 2.197124 3.330142 28 H 3.744387 2.113181 1.090928 2.165117 2.759803 29 H 4.653143 2.699128 2.144083 1.084550 2.158631 30 H 5.335608 3.286512 2.185055 1.082739 2.198007 31 H 4.721620 3.193564 3.328639 2.222134 1.080714 32 H 4.472560 2.929026 2.781951 2.155449 1.086781 33 N 2.646819 2.414376 3.566533 3.590253 2.424892 34 H 2.001830 2.591418 3.953132 4.280879 3.307094 26 27 28 29 30 26 C 0.000000 27 H 3.247052 0.000000 28 H 2.821125 1.756074 0.000000 29 H 2.839346 2.434631 3.042094 0.000000 30 H 3.342472 2.702546 2.446509 1.758825 0.000000 31 H 2.158284 4.203479 3.820947 2.464835 2.764428 32 H 2.110864 3.829820 2.751967 3.036177 2.426968 33 N 1.253936 4.434907 3.950588 3.938413 4.499673 34 H 1.903071 4.694224 4.325460 4.577702 5.244292 31 32 33 34 31 H 0.000000 32 H 1.750302 0.000000 33 N 2.676012 2.823140 0.000000 34 H 3.638204 3.698837 1.002160 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.165492 2.446653 -0.408810 2 6 0 0.990548 2.715977 0.524965 3 8 0 0.298627 2.374924 -1.713521 4 8 0 -3.661432 -1.668861 0.436046 5 6 0 -2.794503 -0.863082 0.312909 6 7 0 -2.894418 0.389290 0.877535 7 6 0 -2.065508 1.455981 0.680495 8 8 0 -2.316360 2.528319 1.153102 9 7 0 -0.928172 1.210830 -0.059123 10 6 0 -0.624123 -0.070811 -0.531641 11 6 0 -1.533090 -1.053463 -0.413495 12 1 0 -0.882448 3.241521 -0.311366 13 1 0 0.612288 2.790952 1.534653 14 1 0 1.451081 3.659082 0.253275 15 1 0 -3.726722 0.587206 1.392815 16 6 0 0.772529 -0.357498 -1.077715 17 17 0 -1.292586 -2.669411 -0.995543 18 1 0 1.745328 1.948109 0.485925 19 1 0 -0.417200 2.590229 -2.298641 20 1 0 0.711304 -1.269527 -1.653277 21 1 0 1.079776 0.421381 -1.743306 22 7 0 1.737440 -0.491114 -0.010699 23 6 0 1.630322 -1.599260 0.937997 24 6 0 2.813348 -1.345522 1.860183 25 6 0 3.874968 -0.874526 0.869828 26 6 0 3.083931 -0.164545 -0.208180 27 1 0 0.671396 -1.587165 1.434736 28 1 0 1.733322 -2.558215 0.428173 29 1 0 2.567607 -0.551500 2.556881 30 1 0 3.104109 -2.221411 2.426400 31 1 0 4.649805 -0.239551 1.275262 32 1 0 4.357960 -1.731081 0.407092 33 7 0 3.634335 0.566073 -1.065856 34 1 0 3.007806 0.959917 -1.741631 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4546468 0.2996034 0.2219537 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1706.5360547593 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.63D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999528 0.017868 0.000914 0.024981 Ang= 3.52 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16173637 A.U. after 14 cycles NFock= 14 Conv=0.70D-08 -V/T= 2.0011 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 -0.003319294 -0.004477925 0.002790093 2 6 0.000458875 0.000561898 0.003568557 3 8 0.007466161 0.002886785 -0.003961212 4 8 -0.001841250 0.000425112 0.002042181 5 6 0.005254712 -0.000364039 -0.004736947 6 7 0.001640653 -0.000702075 -0.001571674 7 6 -0.004073453 0.002553585 0.005030062 8 8 0.001032355 -0.000111711 -0.001865831 9 7 0.001872833 -0.000437544 -0.002040558 10 6 -0.002258563 0.002143918 0.003367495 11 6 -0.001671650 -0.001266366 0.001917858 12 1 -0.000630633 0.000186958 -0.000533176 13 1 -0.000390612 0.001237790 0.001741106 14 1 0.000453667 0.000910695 -0.000742328 15 1 -0.000416410 0.000054129 -0.000080837 16 6 -0.003997525 -0.001102684 -0.004478276 17 17 -0.000139808 0.000086425 0.000067933 18 1 0.000683763 0.000547794 -0.001360709 19 1 -0.000259840 -0.003718105 -0.000166905 20 1 -0.000003599 -0.000948251 0.000003346 21 1 0.001086594 0.001135468 0.000798320 22 7 -0.000648181 -0.004345118 0.002148280 23 6 0.001632208 -0.001202544 -0.003347204 24 6 -0.000292493 0.000380713 0.002209256 25 6 -0.001705423 -0.001650943 -0.001201036 26 6 -0.002198413 0.003689773 -0.000133885 27 1 -0.000380666 0.000919433 0.001308650 28 1 0.000395259 0.001501786 0.000067972 29 1 -0.000664379 0.000664129 0.000327625 30 1 0.000008800 -0.000073209 -0.000380658 31 1 0.000601695 0.001053203 -0.000145719 32 1 0.000251995 -0.000779539 0.000867258 33 7 0.001161067 -0.000781766 -0.000856845 34 1 0.000891553 0.001022228 -0.000652191 ------------------------------------------------------------------- Cartesian Forces: Max 0.007466161 RMS 0.002063836 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008759650 RMS 0.001675768 Search for a local minimum. Step number 19 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 18 19 DE= -4.94D-04 DEPred=-2.71D-03 R= 1.82D-01 Trust test= 1.82D-01 RLast= 1.02D+00 DXMaxT set to 1.59D+00 ITU= 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00167 0.00256 0.00417 0.00654 0.00843 Eigenvalues --- 0.00924 0.01091 0.01182 0.01284 0.01439 Eigenvalues --- 0.01718 0.01911 0.02144 0.02374 0.02544 Eigenvalues --- 0.02905 0.03210 0.03433 0.03780 0.03933 Eigenvalues --- 0.04908 0.05349 0.05420 0.05470 0.05721 Eigenvalues --- 0.05792 0.05834 0.06307 0.06324 0.06524 Eigenvalues --- 0.06781 0.06960 0.07406 0.08339 0.08568 Eigenvalues --- 0.09097 0.09462 0.09975 0.10900 0.13664 Eigenvalues --- 0.15866 0.15989 0.16001 0.16418 0.16530 Eigenvalues --- 0.17518 0.19830 0.20217 0.20678 0.21767 Eigenvalues --- 0.22565 0.23401 0.23738 0.24866 0.24943 Eigenvalues --- 0.25092 0.25406 0.26157 0.27475 0.27830 Eigenvalues --- 0.28464 0.28791 0.30631 0.31615 0.32073 Eigenvalues --- 0.32468 0.33744 0.33809 0.33829 0.33836 Eigenvalues --- 0.33896 0.33930 0.33966 0.33990 0.34269 Eigenvalues --- 0.34473 0.34957 0.35911 0.36269 0.37242 Eigenvalues --- 0.37506 0.39066 0.39790 0.42618 0.45505 Eigenvalues --- 0.47771 0.48776 0.49437 0.51104 0.56681 Eigenvalues --- 0.59571 0.65822 0.78019 0.88548 0.94580 Eigenvalues --- 1.34547 RFO step: Lambda=-1.39968254D-03 EMin= 1.67264889D-03 Quartic linear search produced a step of -0.35741. Iteration 1 RMS(Cart)= 0.10181626 RMS(Int)= 0.00194689 Iteration 2 RMS(Cart)= 0.00343197 RMS(Int)= 0.00004379 Iteration 3 RMS(Cart)= 0.00000417 RMS(Int)= 0.00004372 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004372 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85399 0.00231 0.00270 -0.00004 0.00266 2.85664 R2 2.62041 0.00431 0.00968 -0.00575 0.00394 2.62434 R3 2.82274 0.00480 -0.00486 0.01149 0.00663 2.82936 R4 2.03120 -0.00033 -0.00065 0.00015 -0.00050 2.03070 R5 2.04245 0.00191 0.00162 0.00048 0.00210 2.04455 R6 2.04872 -0.00033 0.00007 -0.00065 -0.00058 2.04815 R7 2.03603 -0.00103 -0.00012 0.00096 0.00084 2.03687 R8 1.79388 -0.00075 -0.00260 0.00192 -0.00067 1.79320 R9 2.24870 -0.00020 -0.00016 -0.00106 -0.00122 2.24748 R10 2.60290 -0.00130 -0.00015 -0.00047 -0.00059 2.60231 R11 2.77415 0.00005 -0.00038 0.00184 0.00149 2.77563 R12 2.57984 -0.00083 -0.00112 0.00125 0.00014 2.57998 R13 1.88728 0.00000 -0.00007 0.00009 0.00002 1.88730 R14 2.26467 -0.00027 0.00004 -0.00065 -0.00061 2.26406 R15 2.60527 0.00221 0.00046 0.00198 0.00241 2.60768 R16 2.64448 0.00495 -0.00127 0.00109 -0.00021 2.64427 R17 2.53941 -0.00039 -0.00094 -0.00211 -0.00305 2.53635 R18 2.88517 0.00037 -0.00135 -0.00338 -0.00474 2.88044 R19 3.27741 0.00003 -0.00017 -0.00019 -0.00035 3.27706 R20 2.04127 0.00038 0.00051 0.00092 0.00144 2.04271 R21 2.02127 0.00037 0.00005 0.00036 0.00041 2.02168 R22 2.73027 0.00064 0.00089 -0.00125 -0.00037 2.72990 R23 2.76410 -0.00032 -0.00052 -0.00014 -0.00064 2.76346 R24 2.64473 -0.00419 -0.00112 -0.00297 -0.00407 2.64066 R25 2.87485 0.00185 0.00129 0.00143 0.00271 2.87756 R26 2.04093 0.00056 0.00032 0.00021 0.00053 2.04147 R27 2.06156 -0.00101 -0.00073 -0.00042 -0.00115 2.06041 R28 2.88434 0.00122 0.00085 0.00092 0.00175 2.88609 R29 2.04950 0.00033 0.00026 0.00049 0.00075 2.05025 R30 2.04608 -0.00008 -0.00009 -0.00038 -0.00047 2.04561 R31 2.86087 0.00067 -0.00002 -0.00031 -0.00034 2.86053 R32 2.04225 -0.00023 -0.00011 0.00003 -0.00008 2.04218 R33 2.05372 0.00011 -0.00013 0.00006 -0.00007 2.05365 R34 2.36960 0.00118 0.00022 0.00027 0.00049 2.37009 R35 1.89381 0.00118 0.00084 0.00064 0.00148 1.89529 A1 1.91216 0.00112 0.01667 -0.01261 0.00396 1.91612 A2 1.97537 0.00044 -0.00094 0.00589 0.00486 1.98024 A3 1.89932 -0.00044 -0.00016 -0.00166 -0.00180 1.89752 A4 1.92662 0.00217 -0.00574 0.01755 0.01186 1.93849 A5 1.92496 -0.00165 -0.00547 -0.00169 -0.00696 1.91800 A6 1.82351 -0.00190 -0.00609 -0.00744 -0.01343 1.81008 A7 1.89872 0.00194 0.00597 0.00081 0.00678 1.90550 A8 1.90217 -0.00127 -0.00247 -0.00251 -0.00496 1.89721 A9 1.96789 -0.00177 -0.00412 -0.00123 -0.00533 1.96255 A10 1.89910 -0.00038 -0.00036 -0.00071 -0.00107 1.89803 A11 1.90547 0.00011 0.00175 -0.00015 0.00160 1.90707 A12 1.88948 0.00138 -0.00080 0.00378 0.00300 1.89248 A13 1.89213 0.00655 0.00908 0.01055 0.01963 1.91176 A14 2.11814 -0.00011 -0.00050 0.00071 0.00003 2.11817 A15 2.20110 0.00003 0.00088 0.00019 0.00089 2.20199 A16 1.96393 0.00007 -0.00047 -0.00107 -0.00169 1.96224 A17 2.22335 0.00045 0.00140 -0.00111 0.00036 2.22371 A18 2.03996 -0.00058 -0.00027 -0.00053 -0.00071 2.03924 A19 2.01046 0.00018 0.00038 -0.00003 0.00043 2.01089 A20 2.11196 -0.00102 0.00032 -0.00208 -0.00178 2.11019 A21 2.02572 0.00130 -0.00021 0.00039 0.00007 2.02579 A22 2.14523 -0.00023 -0.00002 0.00200 0.00197 2.14720 A23 1.98198 -0.00635 -0.00274 0.00092 -0.00181 1.98016 A24 2.17455 0.00876 0.00263 0.00167 0.00430 2.17885 A25 2.12145 -0.00246 -0.00028 -0.00405 -0.00446 2.11699 A26 2.08640 -0.00051 0.00114 0.00133 0.00239 2.08880 A27 2.08460 0.00638 -0.00034 0.00169 0.00139 2.08599 A28 2.10936 -0.00579 -0.00019 -0.00250 -0.00266 2.10671 A29 2.12927 0.00107 0.00014 -0.00123 -0.00108 2.12820 A30 1.98893 -0.00059 0.00126 0.00190 0.00319 1.99212 A31 2.16281 -0.00043 -0.00096 -0.00108 -0.00201 2.16080 A32 1.87263 0.00052 0.00258 0.00855 0.01115 1.88378 A33 1.92688 -0.00199 -0.00373 -0.00814 -0.01195 1.91493 A34 1.94352 0.00222 0.00202 -0.00773 -0.00578 1.93775 A35 1.87501 0.00054 -0.00128 0.00520 0.00396 1.87897 A36 1.93187 -0.00156 0.00087 0.00726 0.00815 1.94002 A37 1.91247 0.00019 -0.00058 -0.00443 -0.00513 1.90734 A38 2.09458 -0.00008 -0.00327 0.00395 0.00065 2.09522 A39 2.11385 -0.00110 -0.00220 -0.00407 -0.00629 2.10756 A40 1.91639 0.00114 0.00274 0.00194 0.00475 1.92115 A41 1.78222 -0.00050 0.00180 -0.00172 0.00012 1.78234 A42 1.93355 0.00093 0.00092 0.00137 0.00228 1.93583 A43 1.93471 0.00010 0.00018 0.00078 0.00095 1.93566 A44 1.99301 -0.00064 -0.00249 -0.00049 -0.00299 1.99002 A45 1.93529 0.00024 0.00021 0.00045 0.00065 1.93595 A46 1.88453 -0.00011 -0.00049 -0.00035 -0.00083 1.88370 A47 1.77116 -0.00057 0.00215 0.00297 0.00513 1.77630 A48 1.91273 -0.00005 0.00032 -0.00128 -0.00096 1.91177 A49 1.97241 0.00022 -0.00150 -0.00059 -0.00209 1.97032 A50 1.92675 0.00028 -0.00015 0.00011 -0.00003 1.92672 A51 1.98467 0.00039 0.00023 -0.00062 -0.00039 1.98429 A52 1.89354 -0.00027 -0.00090 -0.00050 -0.00139 1.89214 A53 1.81658 -0.00086 -0.00066 -0.00023 -0.00087 1.81571 A54 2.02258 -0.00053 -0.00391 -0.00086 -0.00477 2.01780 A55 1.92003 0.00115 0.00464 0.00305 0.00769 1.92772 A56 1.94574 0.00032 -0.00256 -0.00048 -0.00302 1.94271 A57 1.87408 0.00015 0.00273 -0.00094 0.00179 1.87586 A58 1.87987 -0.00017 0.00024 -0.00050 -0.00027 1.87960 A59 1.86795 0.00096 0.00136 0.00109 0.00248 1.87044 A60 2.28469 -0.00383 -0.00402 -0.00350 -0.00755 2.27714 A61 2.13051 0.00286 0.00259 0.00236 0.00493 2.13544 A62 1.99961 -0.00130 -0.00134 -0.00212 -0.00346 1.99615 D1 3.12018 -0.00187 0.00022 0.01014 0.01037 3.13055 D2 1.05189 -0.00180 -0.00135 0.01197 0.01062 1.06251 D3 -1.04665 -0.00153 0.00389 0.00972 0.01362 -1.03303 D4 -1.00469 0.00211 0.00481 0.02769 0.03247 -0.97222 D5 -3.07299 0.00218 0.00323 0.02952 0.03272 -3.04027 D6 1.11166 0.00244 0.00847 0.02727 0.03572 1.14738 D7 1.01427 -0.00026 -0.00333 0.02088 0.01758 1.03185 D8 -1.05402 -0.00020 -0.00490 0.02271 0.01783 -1.03619 D9 3.13062 0.00007 0.00034 0.02046 0.02083 -3.13173 D10 -2.71014 0.00119 0.19542 -0.23399 -0.03855 -2.74869 D11 1.38636 -0.00168 0.18881 -0.24485 -0.05614 1.33023 D12 -0.61987 0.00033 0.20235 -0.24502 -0.04260 -0.66247 D13 1.70259 -0.00079 -0.00244 0.03775 0.03527 1.73786 D14 -1.54741 -0.00152 -0.00633 0.02246 0.01603 -1.53137 D15 -2.43025 0.00263 0.01432 0.03879 0.05325 -2.37700 D16 0.60294 0.00190 0.01044 0.02350 0.03401 0.63695 D17 -0.36098 0.00069 0.00198 0.04132 0.04329 -0.31769 D18 2.67221 -0.00003 -0.00191 0.02603 0.02405 2.69626 D19 -2.98694 -0.00162 -0.01556 -0.00150 -0.01706 -3.00400 D20 -0.00042 -0.00120 -0.00129 -0.01512 -0.01640 -0.01683 D21 0.16104 0.00047 -0.00964 0.02620 0.01658 0.17762 D22 -3.13563 0.00089 0.00462 0.01258 0.01724 -3.11839 D23 3.10899 0.00085 0.00546 0.01143 0.01690 3.12589 D24 -0.10093 0.00153 0.01352 0.00500 0.01852 -0.08241 D25 -0.03935 -0.00136 -0.00081 -0.01785 -0.01869 -0.05804 D26 3.03391 -0.00068 0.00725 -0.02428 -0.01707 3.01684 D27 3.04188 -0.00126 0.00533 -0.01796 -0.01257 3.02931 D28 -0.12405 0.00124 0.01160 -0.00357 0.00806 -0.11599 D29 0.05313 -0.00161 -0.00869 -0.00449 -0.01314 0.03999 D30 -3.11280 0.00088 -0.00242 0.00989 0.00749 -3.10531 D31 2.99530 -0.00191 -0.00648 -0.04384 -0.05029 2.94502 D32 -0.04159 -0.00200 -0.00296 -0.02945 -0.03241 -0.07400 D33 -0.17114 0.00063 -0.00008 -0.02921 -0.02923 -0.20037 D34 3.07516 0.00054 0.00344 -0.01483 -0.01136 3.06380 D35 -2.87570 0.00194 -0.00203 0.05323 0.05122 -2.82448 D36 0.34574 0.00110 -0.01245 0.04585 0.03339 0.37913 D37 0.14925 0.00101 -0.00634 0.03710 0.03077 0.18002 D38 -2.91249 0.00017 -0.01677 0.02973 0.01293 -2.89956 D39 -0.10409 0.00063 0.00820 -0.01175 -0.00356 -0.10765 D40 3.11276 -0.00013 -0.00074 -0.00479 -0.00555 3.10721 D41 2.95650 0.00205 0.01878 -0.00407 0.01468 2.97118 D42 -0.10983 0.00130 0.00983 0.00289 0.01270 -0.09714 D43 -2.84319 0.00152 0.03399 0.06090 0.09490 -2.74829 D44 -0.80505 0.00139 0.03193 0.06765 0.09953 -0.70552 D45 1.32349 0.00176 0.02998 0.05109 0.08111 1.40460 D46 0.37932 0.00041 0.02339 0.05325 0.07664 0.45596 D47 2.41746 0.00029 0.02133 0.06000 0.08127 2.49873 D48 -1.73718 0.00065 0.01937 0.04344 0.06285 -1.67433 D49 1.13718 0.00058 0.03305 0.00239 0.03543 1.17260 D50 -2.63857 0.00091 0.02916 0.00635 0.03548 -2.60309 D51 -0.94438 -0.00049 0.02787 -0.00810 0.01978 -0.92460 D52 1.56306 -0.00016 0.02398 -0.00414 0.01984 1.58290 D53 -3.00915 -0.00032 0.02928 -0.01615 0.01316 -2.99599 D54 -0.50171 0.00001 0.02539 -0.01219 0.01322 -0.48849 D55 -3.13730 -0.00074 -0.01856 0.00217 -0.01639 3.12949 D56 -1.00820 -0.00132 -0.01999 0.00128 -0.01872 -1.02692 D57 1.08364 -0.00079 -0.01988 0.00225 -0.01764 1.06601 D58 0.57370 -0.00034 -0.01366 0.00075 -0.01291 0.56079 D59 2.70280 -0.00093 -0.01509 -0.00015 -0.01524 2.68756 D60 -1.48854 -0.00039 -0.01498 0.00082 -0.01416 -1.50270 D61 -2.78428 0.00041 0.01751 -0.01145 0.00606 -2.77822 D62 0.36594 0.00044 0.02252 -0.00532 0.01717 0.38312 D63 -0.21944 0.00041 0.01216 -0.00692 0.00523 -0.21421 D64 2.93078 0.00043 0.01716 -0.00079 0.01635 2.94713 D65 -0.67621 0.00053 0.00912 0.00522 0.01435 -0.66186 D66 1.36105 0.00054 0.01017 0.00632 0.01650 1.37755 D67 -2.80809 0.00031 0.00825 0.00439 0.01264 -2.79544 D68 -2.76403 0.00005 0.00812 0.00491 0.01303 -2.75100 D69 -0.72676 0.00007 0.00917 0.00601 0.01517 -0.71159 D70 1.38728 -0.00016 0.00725 0.00407 0.01132 1.39860 D71 1.38561 0.00048 0.01042 0.00538 0.01581 1.40142 D72 -2.86031 0.00049 0.01147 0.00648 0.01796 -2.84235 D73 -0.74627 0.00026 0.00955 0.00455 0.01410 -0.73216 D74 0.55438 -0.00014 -0.00231 -0.00838 -0.01069 0.54369 D75 2.69727 -0.00069 -0.00835 -0.00968 -0.01803 2.67924 D76 -1.44880 -0.00038 -0.00721 -0.00853 -0.01574 -1.46454 D77 -1.47263 0.00009 -0.00373 -0.00850 -0.01222 -1.48485 D78 0.67026 -0.00046 -0.00977 -0.00980 -0.01957 0.65069 D79 2.80738 -0.00015 -0.00863 -0.00864 -0.01728 2.79010 D80 2.67774 -0.00005 -0.00262 -0.00749 -0.01010 2.66764 D81 -1.46255 -0.00059 -0.00865 -0.00879 -0.01745 -1.48000 D82 0.67457 -0.00029 -0.00752 -0.00764 -0.01516 0.65941 D83 -0.22537 -0.00054 -0.00588 0.00948 0.00359 -0.22178 D84 2.90852 -0.00061 -0.01045 0.00398 -0.00649 2.90203 D85 -2.41787 0.00049 0.00080 0.01097 0.01177 -2.40610 D86 0.71602 0.00042 -0.00377 0.00547 0.00169 0.71771 D87 1.81011 0.00042 0.00029 0.01242 0.01271 1.82282 D88 -1.33917 0.00036 -0.00428 0.00692 0.00262 -1.33655 D89 -0.03825 0.00053 0.00939 -0.00536 0.00404 -0.03421 D90 3.11308 0.00057 0.01507 0.00157 0.01664 3.12972 Item Value Threshold Converged? Maximum Force 0.008760 0.000450 NO RMS Force 0.001676 0.000300 NO Maximum Displacement 0.400951 0.001800 NO RMS Displacement 0.102371 0.001200 NO Predicted change in Energy=-1.152152D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.760344 -5.027053 2.610663 2 6 0 6.496149 -5.325792 4.068779 3 8 0 7.136606 -6.190904 1.953029 4 8 0 3.287851 -2.321815 -0.619974 5 6 0 3.919365 -2.962161 0.158238 6 7 0 4.859090 -2.373852 0.975042 7 6 0 5.750605 -2.999468 1.798299 8 8 0 6.596624 -2.377532 2.375247 9 7 0 5.608140 -4.366677 1.919259 10 6 0 4.551182 -5.044756 1.301959 11 6 0 3.778209 -4.401833 0.412795 12 1 0 7.547989 -4.298996 2.544983 13 1 0 6.214873 -4.411158 4.573656 14 1 0 7.407499 -5.704784 4.516549 15 1 0 4.993839 -1.389709 0.871407 16 6 0 4.241187 -6.480894 1.707897 17 17 0 2.473529 -5.150103 -0.450430 18 1 0 5.718940 -6.060245 4.204139 19 1 0 7.623710 -5.969276 1.169407 20 1 0 3.705045 -6.948462 0.894022 21 1 0 5.153768 -7.021310 1.848179 22 7 0 3.471302 -6.519457 2.929642 23 6 0 2.100295 -6.011014 2.947541 24 6 0 1.685200 -6.261527 4.391035 25 6 0 2.350501 -7.606018 4.677773 26 6 0 3.598096 -7.588375 3.820706 27 1 0 2.070710 -4.971335 2.655588 28 1 0 1.468502 -6.571392 2.257893 29 1 0 2.103433 -5.489265 5.028061 30 1 0 0.611043 -6.270456 4.524782 31 1 0 2.588772 -7.797701 5.714277 32 1 0 1.724608 -8.421986 4.326391 33 7 0 4.529978 -8.413504 3.974880 34 1 0 5.294014 -8.299189 3.335287 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.511670 0.000000 3 O 1.388742 2.373816 0.000000 4 O 5.460177 6.426621 6.033499 0.000000 5 C 4.283611 5.245845 4.898642 1.189314 0.000000 6 N 3.650959 4.578768 4.551200 2.239547 1.377083 7 C 2.406368 3.335071 3.482844 3.517444 2.458583 8 O 2.664993 3.401526 3.874488 4.463454 3.524859 9 N 1.497234 2.515730 2.380159 4.001612 2.815283 10 C 2.567765 3.393695 2.902062 3.564301 2.458555 11 C 3.756947 4.648345 4.105110 2.373507 1.468802 12 H 1.074600 2.117222 2.024590 5.663477 4.544292 13 H 2.128428 1.081930 3.299208 6.317167 5.183132 14 H 2.123801 1.083832 2.623229 7.402691 6.219640 15 H 4.401798 5.288939 5.367759 2.450190 2.033644 16 C 3.045454 3.463073 2.920211 4.860635 3.858301 17 Cl 5.268986 6.052734 5.348287 2.948064 2.692213 18 H 2.165912 1.077867 2.663521 6.569484 5.404249 19 H 1.926240 3.176763 0.948922 5.941845 4.877229 20 H 3.996689 4.527958 3.670287 4.885908 4.059298 21 H 2.671990 3.099650 2.152258 5.626604 4.566874 22 N 3.625854 3.445601 3.807384 5.500330 4.531644 23 C 4.774696 4.588054 5.136715 5.267603 4.514945 24 C 5.518219 4.911688 5.972159 6.572673 5.813250 25 C 5.510964 4.770399 5.686262 7.541057 6.667303 26 C 4.245515 3.685043 4.238183 6.895836 5.909208 27 H 4.690181 4.659105 5.257779 4.385282 3.700143 28 H 5.523859 5.487081 5.689034 5.445278 4.841675 29 H 5.267283 4.499211 5.939776 6.582999 5.779190 30 H 6.559254 5.977860 7.014500 7.016095 6.399728 31 H 5.891598 4.907708 6.116500 8.402189 7.484817 32 H 6.310938 5.693890 6.316668 8.007643 7.211113 33 N 4.278279 3.661777 3.977730 7.730732 6.682569 34 H 3.658152 3.290020 3.122602 7.442968 6.361380 6 7 8 9 10 6 N 0.000000 7 C 1.365265 0.000000 8 O 2.231504 1.198090 0.000000 9 N 2.328942 1.379923 2.267536 0.000000 10 C 2.708396 2.422431 3.528436 1.399289 0.000000 11 C 2.365825 2.788655 3.986536 2.370509 1.342181 12 H 3.660747 2.340277 2.150797 2.039393 3.328981 13 H 4.351871 3.148177 3.019001 2.723220 3.724690 14 H 5.489241 4.177668 4.038972 3.431347 4.350606 15 H 0.998717 2.005779 2.409616 3.215229 3.706844 16 C 4.217425 3.795634 4.778181 2.526489 1.524261 17 Cl 3.928160 4.518987 5.715900 4.006865 2.720039 18 H 4.975531 3.893254 4.204468 2.846248 3.289001 19 H 4.539600 3.567041 3.925504 2.682000 3.211344 20 H 4.718627 4.538347 5.607910 3.367269 2.122842 21 H 4.737939 4.066192 4.891248 2.694176 2.137342 22 N 4.788785 4.343442 5.218288 3.197095 2.447496 23 C 4.972992 4.869798 5.809190 4.008265 3.106194 24 C 6.070964 5.821583 6.578062 5.008951 4.385974 25 C 6.883225 6.408774 7.118163 5.358632 4.774848 26 C 6.072822 5.457243 6.183317 4.246778 3.704384 27 H 4.164879 4.262022 5.224012 3.663496 2.826738 28 H 5.546272 5.595201 6.625697 4.702344 3.570342 29 H 5.807444 5.471043 6.075283 4.817450 4.480279 30 H 6.769792 6.674442 7.456711 5.948454 5.235802 31 H 7.552009 6.953784 7.522648 5.940595 5.558625 32 H 7.591867 7.211353 8.004931 6.109144 5.342508 33 N 6.751646 5.961478 6.577446 4.665278 4.300397 34 H 6.392928 5.536953 6.138769 4.191475 3.908651 11 12 13 14 15 11 C 0.000000 12 H 4.332210 0.000000 13 H 4.821844 2.430080 0.000000 14 H 5.631183 2.425499 1.760422 0.000000 15 H 3.280392 4.217641 4.932213 6.142694 0.000000 16 C 2.492816 4.049238 4.048681 4.303069 5.214054 17 Cl 1.734144 5.953741 6.307546 7.023006 4.715907 18 H 4.570674 3.033185 1.761244 1.753620 5.783319 19 H 4.221044 2.165128 4.000183 3.364530 5.289372 20 H 2.592731 4.951117 5.126096 5.327064 5.706246 21 H 3.288487 3.691723 3.920084 3.732659 5.717919 22 N 3.303490 4.658088 3.830782 4.321529 5.733129 23 C 3.439447 5.724546 4.704630 5.542741 5.834329 24 C 4.864724 6.452265 4.896443 5.750689 6.860720 25 C 5.522244 6.519130 5.015111 5.404990 7.753590 26 C 4.669085 5.296144 4.184396 4.306236 7.004993 27 H 2.875761 5.519498 4.600747 5.699337 4.955404 28 H 3.666894 6.496642 5.705909 6.412817 6.418736 29 H 5.028723 6.101278 4.274662 5.333030 6.514490 30 H 5.516442 7.478467 5.904430 6.819961 7.508512 31 H 6.407214 6.846838 5.091002 5.388412 8.384516 32 H 5.974541 7.354198 6.025808 6.301952 8.489859 33 N 5.417296 5.299261 4.383626 3.988822 7.692880 34 H 5.101765 4.659026 4.183100 3.548681 7.341779 16 17 18 19 20 16 C 0.000000 17 Cl 3.090954 0.000000 18 H 2.931198 5.746831 0.000000 19 H 3.463117 5.460703 3.584135 0.000000 20 H 1.080955 2.560913 3.975121 4.048528 0.000000 21 H 1.069828 3.996086 2.606456 2.769137 1.736238 22 N 1.444601 3.780949 2.624328 4.543525 2.093426 23 C 2.518119 3.525150 3.830934 5.802725 2.769652 24 C 3.712199 5.029563 4.043081 6.762410 4.096432 25 C 3.696046 5.687277 3.736325 6.541734 4.072339 26 C 2.470637 5.045040 2.642004 5.084923 2.997734 27 H 2.808533 3.137127 4.110149 5.834418 3.111784 28 H 2.828156 3.219496 4.702698 6.279643 2.646592 29 H 4.071462 5.501442 3.751900 6.752264 4.667408 30 H 4.599682 5.429252 5.122267 7.779894 4.818191 31 H 4.529408 6.710192 3.885514 7.024926 5.020173 32 H 4.117951 5.838161 4.641924 7.126131 4.227832 33 N 2.992923 5.870446 2.646511 4.839019 3.509779 34 H 2.657638 5.674816 2.438921 3.942970 3.210773 21 22 23 24 25 21 H 0.000000 22 N 2.062064 0.000000 23 C 3.398969 1.462360 0.000000 24 C 4.367419 2.322145 1.522739 0.000000 25 C 4.025766 2.343666 2.366504 1.527252 0.000000 26 C 2.575372 1.397375 2.343905 2.396867 1.513726 27 H 3.789400 2.105576 1.080299 2.196586 3.333027 28 H 3.735167 2.113090 1.090321 2.166395 2.775643 29 H 4.665121 2.708454 2.144946 1.084947 2.159719 30 H 5.325818 3.284442 2.184690 1.082489 2.198373 31 H 4.704115 3.188567 3.329517 2.219739 1.080674 32 H 4.456744 2.936233 2.802705 2.161785 1.086746 33 N 2.617283 2.408470 3.568016 3.591232 2.428211 34 H 1.965740 2.579587 3.947902 4.276705 3.308628 26 27 28 29 30 26 C 0.000000 27 H 3.246430 0.000000 28 H 2.830514 1.755277 0.000000 29 H 2.845696 2.428570 3.041047 0.000000 30 H 3.339928 2.704114 2.442250 1.758061 0.000000 31 H 2.155959 4.196703 3.834766 2.456690 2.767451 32 H 2.112008 3.849463 2.787289 3.039195 2.430734 33 N 1.254197 4.431372 3.964095 3.943156 4.500344 34 H 1.901848 4.682552 4.333659 4.576129 5.240312 31 32 33 34 31 H 0.000000 32 H 1.750068 0.000000 33 N 2.678245 2.827318 0.000000 34 H 3.637227 3.706484 1.002945 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.337479 2.489913 -0.377238 2 6 0 0.843116 2.836870 0.500807 3 8 0 0.049284 2.501035 -1.710990 4 8 0 -3.537713 -1.864275 0.405761 5 6 0 -2.726998 -1.001197 0.294833 6 7 0 -2.892492 0.220667 0.908036 7 6 0 -2.126655 1.339510 0.747944 8 8 0 -2.442283 2.378793 1.253602 9 7 0 -0.987304 1.190284 -0.016123 10 6 0 -0.604250 -0.060326 -0.513372 11 6 0 -1.451473 -1.097731 -0.427035 12 1 0 -1.112908 3.216036 -0.215315 13 1 0 0.528460 2.836306 1.535971 14 1 0 1.188256 3.831187 0.242153 15 1 0 -3.730360 0.350516 1.435818 16 6 0 0.801138 -0.247655 -1.072983 17 17 0 -1.107594 -2.678758 -1.051022 18 1 0 1.663577 2.148697 0.378092 19 1 0 -0.712708 2.631483 -2.261266 20 1 0 0.782097 -1.095203 -1.743627 21 1 0 1.079514 0.612523 -1.644939 22 7 0 1.759984 -0.444890 -0.010635 23 6 0 1.710751 -1.658169 0.804243 24 6 0 2.881605 -1.452000 1.755732 25 6 0 3.914742 -0.797124 0.841257 26 6 0 3.082275 -0.015940 -0.152784 27 1 0 0.754438 -1.752710 1.297773 28 1 0 1.860377 -2.546092 0.189422 29 1 0 2.590259 -0.769199 2.546939 30 1 0 3.223671 -2.373871 2.208421 31 1 0 4.637842 -0.162030 1.332824 32 1 0 4.462968 -1.552957 0.285217 33 7 0 3.579441 0.853020 -0.908260 34 1 0 2.921280 1.289303 -1.526629 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4447536 0.3039794 0.2206068 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1704.3303176875 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.60D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999510 -0.018768 -0.001741 -0.024998 Ang= -3.59 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16279939 A.U. after 13 cycles NFock= 13 Conv=0.58D-08 -V/T= 2.0011 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 -0.000006309 -0.000782068 0.000444161 2 6 -0.000338685 -0.000232792 0.000785950 3 8 0.000466920 0.001254147 -0.001838064 4 8 -0.000796611 0.000475887 -0.000415662 5 6 0.001042524 -0.000457815 0.000006083 6 7 0.001851803 -0.000716653 -0.001749403 7 6 -0.001770219 0.002001568 0.002396894 8 8 0.000321002 0.000007496 -0.000754760 9 7 0.001853984 -0.001387783 -0.000693364 10 6 -0.001099219 0.001343143 0.000563531 11 6 -0.001059687 0.000083007 0.000143825 12 1 -0.000398493 -0.000012638 0.000307009 13 1 -0.000263571 0.000445817 0.000608235 14 1 0.000031512 0.000267367 -0.000319999 15 1 -0.000352852 0.000050052 0.000067768 16 6 -0.000342565 0.000507153 -0.001378383 17 17 0.000121662 0.000389196 -0.000514706 18 1 0.000257245 0.000437084 0.000220817 19 1 -0.000109351 -0.001359073 0.000289269 20 1 0.000274792 -0.000687567 0.000272887 21 1 0.001398538 0.000007186 -0.000241184 22 7 -0.000460786 -0.003840816 0.001002070 23 6 0.001095986 -0.001471468 -0.001674958 24 6 -0.000145285 0.000648617 0.001765046 25 6 -0.001065479 -0.001723978 -0.001257875 26 6 -0.001831220 0.004805136 0.000821548 27 1 -0.000265506 0.000400271 0.001407122 28 1 0.000396559 0.001211481 0.000100543 29 1 -0.000647588 0.000174995 0.000184665 30 1 -0.000135013 -0.000115317 -0.000310394 31 1 0.000454528 0.000812056 -0.000120828 32 1 -0.000044136 -0.000306533 0.000711685 33 7 0.001749071 -0.001710302 -0.000353205 34 1 -0.000183551 -0.000516855 -0.000476320 ------------------------------------------------------------------- Cartesian Forces: Max 0.004805136 RMS 0.001083983 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003626854 RMS 0.000679002 Search for a local minimum. Step number 20 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 19 20 DE= -1.06D-03 DEPred=-1.15D-03 R= 9.23D-01 TightC=F SS= 1.41D+00 RLast= 2.94D-01 DXNew= 2.6785D+00 8.8123D-01 Trust test= 9.23D-01 RLast= 2.94D-01 DXMaxT set to 1.59D+00 ITU= 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00178 0.00255 0.00420 0.00668 0.00841 Eigenvalues --- 0.00905 0.01090 0.01183 0.01318 0.01466 Eigenvalues --- 0.01851 0.01969 0.02275 0.02368 0.02560 Eigenvalues --- 0.02939 0.03225 0.03409 0.03781 0.04012 Eigenvalues --- 0.04889 0.05233 0.05402 0.05470 0.05753 Eigenvalues --- 0.05820 0.05854 0.06242 0.06345 0.06570 Eigenvalues --- 0.06680 0.06861 0.07346 0.08263 0.08563 Eigenvalues --- 0.09122 0.09480 0.09913 0.10923 0.13670 Eigenvalues --- 0.15867 0.15924 0.16000 0.16305 0.16492 Eigenvalues --- 0.16660 0.19776 0.20361 0.20734 0.21813 Eigenvalues --- 0.22582 0.23518 0.23785 0.24803 0.24934 Eigenvalues --- 0.25052 0.25161 0.26295 0.27413 0.27806 Eigenvalues --- 0.28352 0.28624 0.30860 0.31621 0.32071 Eigenvalues --- 0.32505 0.33745 0.33796 0.33810 0.33831 Eigenvalues --- 0.33842 0.33911 0.33951 0.33989 0.34326 Eigenvalues --- 0.34486 0.34930 0.35905 0.36270 0.37235 Eigenvalues --- 0.37884 0.39036 0.39828 0.41585 0.45165 Eigenvalues --- 0.47841 0.48776 0.49362 0.51345 0.56675 Eigenvalues --- 0.59608 0.66152 0.78597 0.88805 0.95074 Eigenvalues --- 1.28570 RFO step: Lambda=-6.78625286D-04 EMin= 1.78387285D-03 Quartic linear search produced a step of -0.06370. Iteration 1 RMS(Cart)= 0.04428174 RMS(Int)= 0.00088033 Iteration 2 RMS(Cart)= 0.00107778 RMS(Int)= 0.00002991 Iteration 3 RMS(Cart)= 0.00000253 RMS(Int)= 0.00002987 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002987 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85664 0.00112 -0.00017 0.00611 0.00594 2.86258 R2 2.62434 0.00092 -0.00025 0.01065 0.01039 2.63474 R3 2.82936 -0.00006 -0.00042 -0.00871 -0.00913 2.82023 R4 2.03070 -0.00032 0.00003 0.00063 0.00066 2.03136 R5 2.04455 0.00073 -0.00013 0.00375 0.00362 2.04817 R6 2.04815 -0.00020 0.00004 -0.00022 -0.00018 2.04796 R7 2.03687 -0.00046 -0.00005 -0.00095 -0.00101 2.03587 R8 1.79320 -0.00061 0.00004 -0.00198 -0.00194 1.79126 R9 2.24748 0.00095 0.00008 0.00018 0.00026 2.24774 R10 2.60231 -0.00022 0.00004 0.00044 0.00047 2.60278 R11 2.77563 -0.00008 -0.00009 0.00074 0.00065 2.77629 R12 2.57998 -0.00021 -0.00001 -0.00023 -0.00025 2.57972 R13 1.88730 -0.00001 -0.00000 -0.00009 -0.00009 1.88721 R14 2.26406 -0.00013 0.00004 -0.00082 -0.00078 2.26328 R15 2.60768 0.00158 -0.00015 0.00106 0.00090 2.60858 R16 2.64427 0.00117 0.00001 -0.00118 -0.00116 2.64311 R17 2.53635 0.00114 0.00019 -0.00171 -0.00150 2.53485 R18 2.88044 0.00177 0.00030 -0.00099 -0.00069 2.87975 R19 3.27706 -0.00000 0.00002 -0.00049 -0.00047 3.27659 R20 2.04271 -0.00004 -0.00009 0.00090 0.00081 2.04352 R21 2.02168 0.00116 -0.00003 0.00269 0.00266 2.02434 R22 2.72990 0.00214 0.00002 0.00352 0.00354 2.73344 R23 2.76346 0.00003 0.00004 -0.00073 -0.00071 2.76275 R24 2.64066 -0.00143 0.00026 -0.00348 -0.00323 2.63743 R25 2.87756 0.00122 -0.00017 0.00303 0.00285 2.88041 R26 2.04147 0.00001 -0.00003 0.00064 0.00060 2.04207 R27 2.06041 -0.00092 0.00007 -0.00161 -0.00154 2.05887 R28 2.88609 0.00013 -0.00011 0.00090 0.00079 2.88688 R29 2.05025 -0.00002 -0.00005 0.00036 0.00031 2.05057 R30 2.04561 0.00010 0.00003 0.00024 0.00027 2.04588 R31 2.86053 0.00040 0.00002 0.00038 0.00043 2.86095 R32 2.04218 -0.00016 0.00000 -0.00014 -0.00014 2.04204 R33 2.05365 0.00003 0.00000 -0.00004 -0.00004 2.05361 R34 2.37009 0.00253 -0.00003 0.00197 0.00194 2.37203 R35 1.89529 0.00011 -0.00009 0.00073 0.00064 1.89593 A1 1.91612 0.00093 -0.00025 0.02348 0.02324 1.93936 A2 1.98024 -0.00002 -0.00031 0.00188 0.00163 1.98187 A3 1.89752 -0.00061 0.00011 0.00061 0.00069 1.89822 A4 1.93849 -0.00056 -0.00076 -0.01456 -0.01540 1.92309 A5 1.91800 0.00010 0.00044 -0.00247 -0.00223 1.91576 A6 1.81008 0.00010 0.00086 -0.01095 -0.01015 1.79993 A7 1.90550 0.00044 -0.00043 0.01353 0.01311 1.91861 A8 1.89721 -0.00060 0.00032 -0.00717 -0.00687 1.89034 A9 1.96255 0.00043 0.00034 -0.00564 -0.00533 1.95723 A10 1.89803 -0.00003 0.00007 -0.00161 -0.00153 1.89650 A11 1.90707 -0.00038 -0.00010 0.00226 0.00215 1.90922 A12 1.89248 0.00013 -0.00019 -0.00148 -0.00173 1.89075 A13 1.91176 0.00224 -0.00125 0.01266 0.01141 1.92317 A14 2.11817 0.00001 -0.00000 -0.00009 -0.00009 2.11808 A15 2.20199 -0.00025 -0.00006 0.00024 0.00019 2.20218 A16 1.96224 0.00024 0.00011 0.00018 0.00027 1.96251 A17 2.22371 0.00043 -0.00002 0.00275 0.00263 2.22634 A18 2.03924 -0.00038 0.00005 -0.00025 -0.00026 2.03899 A19 2.01089 0.00002 -0.00003 0.00026 0.00018 2.01107 A20 2.11019 -0.00021 0.00011 0.00343 0.00356 2.11375 A21 2.02579 -0.00005 -0.00000 -0.00163 -0.00166 2.02413 A22 2.14720 0.00027 -0.00013 -0.00179 -0.00190 2.14531 A23 1.98016 -0.00003 0.00012 -0.00363 -0.00350 1.97666 A24 2.17885 0.00039 -0.00027 0.00223 0.00196 2.18081 A25 2.11699 -0.00035 0.00028 0.00088 0.00115 2.11813 A26 2.08880 -0.00032 -0.00015 0.00250 0.00229 2.09108 A27 2.08599 0.00001 -0.00009 -0.00438 -0.00453 2.08146 A28 2.10671 0.00035 0.00017 0.00312 0.00322 2.10993 A29 2.12820 0.00012 0.00007 -0.00074 -0.00071 2.12749 A30 1.99212 -0.00089 -0.00020 0.00302 0.00278 1.99490 A31 2.16080 0.00083 0.00013 -0.00131 -0.00122 2.15958 A32 1.88378 -0.00092 -0.00071 0.00355 0.00282 1.88660 A33 1.91493 -0.00135 0.00076 -0.01056 -0.00979 1.90514 A34 1.93775 0.00363 0.00037 0.00648 0.00685 1.94460 A35 1.87897 0.00023 -0.00025 -0.00146 -0.00171 1.87725 A36 1.94002 -0.00078 -0.00052 0.00059 0.00005 1.94007 A37 1.90734 -0.00093 0.00033 0.00095 0.00130 1.90863 A38 2.09522 0.00100 -0.00004 -0.00453 -0.00456 2.09067 A39 2.10756 -0.00033 0.00040 -0.00139 -0.00099 2.10657 A40 1.92115 -0.00048 -0.00030 0.00240 0.00206 1.92320 A41 1.78234 0.00051 -0.00001 0.00392 0.00386 1.78620 A42 1.93583 0.00028 -0.00015 0.00199 0.00187 1.93770 A43 1.93566 -0.00005 -0.00006 0.00200 0.00194 1.93760 A44 1.99002 -0.00103 0.00019 -0.00909 -0.00890 1.98113 A45 1.93595 0.00015 -0.00004 0.00226 0.00222 1.93816 A46 1.88370 0.00016 0.00005 -0.00068 -0.00064 1.88306 A47 1.77630 -0.00069 -0.00033 0.00218 0.00183 1.77813 A48 1.91177 0.00012 0.00006 0.00146 0.00153 1.91330 A49 1.97032 0.00025 0.00013 -0.00354 -0.00340 1.96692 A50 1.92672 0.00034 0.00000 0.00249 0.00249 1.92921 A51 1.98429 0.00022 0.00002 -0.00070 -0.00066 1.98362 A52 1.89214 -0.00024 0.00009 -0.00152 -0.00144 1.89071 A53 1.81571 -0.00023 0.00006 -0.00004 -0.00001 1.81570 A54 2.01780 -0.00033 0.00030 -0.00917 -0.00888 2.00893 A55 1.92772 0.00038 -0.00049 0.01038 0.00986 1.93758 A56 1.94271 0.00006 0.00019 -0.00579 -0.00565 1.93707 A57 1.87586 0.00015 -0.00011 0.00571 0.00556 1.88143 A58 1.87960 -0.00001 0.00002 0.00004 0.00009 1.87970 A59 1.87044 0.00091 -0.00016 0.00318 0.00300 1.87344 A60 2.27714 -0.00086 0.00048 -0.00480 -0.00434 2.27280 A61 2.13544 -0.00004 -0.00031 0.00183 0.00149 2.13693 A62 1.99615 0.00021 0.00022 -0.00002 0.00020 1.99635 D1 3.13055 0.00005 -0.00066 0.00919 0.00851 3.13906 D2 1.06251 0.00019 -0.00068 0.00752 0.00685 1.06936 D3 -1.03303 0.00015 -0.00087 0.01776 0.01687 -1.01617 D4 -0.97222 0.00002 -0.00207 0.00971 0.00767 -0.96456 D5 -3.04027 0.00016 -0.00208 0.00804 0.00601 -3.03426 D6 1.14738 0.00013 -0.00228 0.01828 0.01602 1.16340 D7 1.03185 -0.00026 -0.00112 -0.00231 -0.00346 1.02840 D8 -1.03619 -0.00012 -0.00114 -0.00398 -0.00512 -1.04131 D9 -3.13173 -0.00015 -0.00133 0.00626 0.00490 -3.12683 D10 -2.74869 0.00017 0.00246 0.10520 0.10759 -2.64110 D11 1.33023 -0.00008 0.00358 0.09595 0.09960 1.42983 D12 -0.66247 0.00006 0.00271 0.11898 0.12168 -0.54079 D13 1.73786 -0.00076 -0.00225 0.00057 -0.00166 1.73621 D14 -1.53137 -0.00070 -0.00102 -0.00405 -0.00504 -1.53641 D15 -2.37700 0.00002 -0.00339 0.02177 0.01829 -2.35870 D16 0.63695 0.00007 -0.00217 0.01715 0.01491 0.65187 D17 -0.31769 -0.00007 -0.00276 0.00566 0.00295 -0.31474 D18 2.69626 -0.00002 -0.00153 0.00105 -0.00043 2.69583 D19 -3.00400 -0.00041 0.00109 -0.00993 -0.00884 -3.01284 D20 -0.01683 0.00013 0.00104 0.01275 0.01380 -0.00303 D21 0.17762 -0.00035 -0.00106 -0.01839 -0.01945 0.15817 D22 -3.11839 0.00019 -0.00110 0.00429 0.00318 -3.11521 D23 3.12589 -0.00031 -0.00108 -0.01112 -0.01221 3.11368 D24 -0.08241 0.00065 -0.00118 0.00451 0.00335 -0.07907 D25 -0.05804 -0.00036 0.00119 -0.00218 -0.00099 -0.05903 D26 3.01684 0.00060 0.00109 0.01345 0.01457 3.03141 D27 3.02931 -0.00010 0.00080 0.01814 0.01894 3.04825 D28 -0.11599 0.00088 -0.00051 0.02243 0.02191 -0.09408 D29 0.03999 -0.00059 0.00084 -0.00418 -0.00335 0.03664 D30 -3.10531 0.00039 -0.00048 0.00011 -0.00038 -3.10569 D31 2.94502 -0.00055 0.00320 -0.00985 -0.00663 2.93839 D32 -0.07400 -0.00066 0.00206 -0.00554 -0.00347 -0.07747 D33 -0.20037 0.00046 0.00186 -0.00545 -0.00359 -0.20395 D34 3.06380 0.00035 0.00072 -0.00114 -0.00043 3.06337 D35 -2.82448 -0.00018 -0.00326 -0.00752 -0.01079 -2.83526 D36 0.37913 -0.00112 -0.00213 -0.03040 -0.03249 0.34664 D37 0.18002 -0.00009 -0.00196 -0.01277 -0.01473 0.16529 D38 -2.89956 -0.00104 -0.00082 -0.03565 -0.03643 -2.93599 D39 -0.10765 0.00058 0.00023 0.01673 0.01694 -0.09071 D40 3.10721 -0.00041 0.00035 -0.00061 -0.00027 3.10695 D41 2.97118 0.00152 -0.00094 0.03961 0.03873 3.00991 D42 -0.09714 0.00053 -0.00081 0.02227 0.02151 -0.07562 D43 -2.74829 0.00059 -0.00605 -0.00292 -0.00897 -2.75726 D44 -0.70552 -0.00040 -0.00634 -0.00841 -0.01475 -0.72028 D45 1.40460 -0.00010 -0.00517 -0.01002 -0.01522 1.38939 D46 0.45596 -0.00035 -0.00488 -0.02601 -0.03088 0.42509 D47 2.49873 -0.00133 -0.00518 -0.03151 -0.03666 2.46207 D48 -1.67433 -0.00104 -0.00400 -0.03311 -0.03712 -1.71145 D49 1.17260 -0.00048 -0.00226 0.00135 -0.00091 1.17169 D50 -2.60309 -0.00030 -0.00226 -0.00415 -0.00641 -2.60950 D51 -0.92460 -0.00123 -0.00126 -0.00789 -0.00915 -0.93376 D52 1.58290 -0.00105 -0.00126 -0.01339 -0.01465 1.56824 D53 -2.99599 -0.00045 -0.00084 -0.00705 -0.00789 -3.00388 D54 -0.48849 -0.00027 -0.00084 -0.01255 -0.01339 -0.50188 D55 3.12949 -0.00006 0.00104 -0.02279 -0.02174 3.10775 D56 -1.02692 -0.00084 0.00119 -0.03024 -0.02905 -1.05597 D57 1.06601 -0.00049 0.00112 -0.02846 -0.02733 1.03867 D58 0.56079 -0.00021 0.00082 -0.01687 -0.01604 0.54474 D59 2.68756 -0.00099 0.00097 -0.02432 -0.02335 2.66421 D60 -1.50270 -0.00064 0.00090 -0.02254 -0.02164 -1.52434 D61 -2.77822 -0.00030 -0.00039 0.01941 0.01903 -2.75919 D62 0.38312 -0.00092 -0.00109 0.00701 0.00595 0.38907 D63 -0.21421 0.00036 -0.00033 0.01226 0.01193 -0.20228 D64 2.94713 -0.00026 -0.00104 -0.00014 -0.00115 2.94598 D65 -0.66186 0.00001 -0.00091 0.01412 0.01320 -0.64866 D66 1.37755 0.00010 -0.00105 0.01866 0.01760 1.39515 D67 -2.79544 0.00005 -0.00081 0.01539 0.01459 -2.78086 D68 -2.75100 -0.00013 -0.00083 0.01379 0.01297 -2.73803 D69 -0.71159 -0.00004 -0.00097 0.01833 0.01738 -0.69421 D70 1.39860 -0.00009 -0.00072 0.01507 0.01436 1.41296 D71 1.40142 0.00030 -0.00101 0.01961 0.01860 1.42001 D72 -2.84235 0.00039 -0.00114 0.02415 0.02300 -2.81935 D73 -0.73216 0.00034 -0.00090 0.02088 0.01998 -0.71218 D74 0.54369 -0.00011 0.00068 -0.00779 -0.00711 0.53658 D75 2.67924 -0.00039 0.00115 -0.02062 -0.01944 2.65979 D76 -1.46454 -0.00033 0.00100 -0.01906 -0.01807 -1.48261 D77 -1.48485 -0.00003 0.00078 -0.01163 -0.01085 -1.49571 D78 0.65069 -0.00031 0.00125 -0.02446 -0.02319 0.62750 D79 2.79010 -0.00025 0.00110 -0.02290 -0.02181 2.76829 D80 2.66764 -0.00013 0.00064 -0.01102 -0.01038 2.65726 D81 -1.48000 -0.00041 0.00111 -0.02384 -0.02271 -1.50271 D82 0.65941 -0.00036 0.00097 -0.02229 -0.02134 0.63807 D83 -0.22178 -0.00040 -0.00023 -0.00286 -0.00308 -0.22486 D84 2.90203 0.00014 0.00041 0.00821 0.00866 2.91069 D85 -2.40610 0.00011 -0.00075 0.01172 0.01095 -2.39515 D86 0.71771 0.00065 -0.00011 0.02279 0.02270 0.74041 D87 1.82282 -0.00001 -0.00081 0.01146 0.01065 1.83347 D88 -1.33655 0.00053 -0.00017 0.02253 0.02240 -1.31416 D89 -0.03421 -0.00026 -0.00026 0.01817 0.01790 -0.01631 D90 3.12972 -0.00096 -0.00106 0.00416 0.00311 3.13283 Item Value Threshold Converged? Maximum Force 0.003627 0.000450 NO RMS Force 0.000679 0.000300 NO Maximum Displacement 0.155452 0.001800 NO RMS Displacement 0.044316 0.001200 NO Predicted change in Energy=-3.689666D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.724398 -5.028784 2.627287 2 6 0 6.445056 -5.292081 4.092653 3 8 0 7.083559 -6.202298 1.965638 4 8 0 3.338147 -2.312434 -0.677089 5 6 0 3.948285 -2.951825 0.118970 6 7 0 4.905753 -2.372135 0.921627 7 6 0 5.771095 -2.999774 1.770647 8 8 0 6.624861 -2.388830 2.347068 9 7 0 5.595228 -4.361239 1.915507 10 6 0 4.530858 -5.027331 1.299287 11 6 0 3.770914 -4.382611 0.401436 12 1 0 7.520177 -4.310183 2.550733 13 1 0 6.170600 -4.368076 4.588242 14 1 0 7.350881 -5.674316 4.548572 15 1 0 5.063107 -1.393419 0.800416 16 6 0 4.219488 -6.464302 1.699821 17 17 0 2.459811 -5.122535 -0.458754 18 1 0 5.662446 -6.019127 4.232559 19 1 0 7.654841 -6.004496 1.235558 20 1 0 3.667567 -6.925897 0.892541 21 1 0 5.137631 -7.004281 1.813760 22 7 0 3.474922 -6.517763 2.938795 23 6 0 2.107625 -6.002447 2.987252 24 6 0 1.699339 -6.296739 4.426009 25 6 0 2.372296 -7.645550 4.674239 26 6 0 3.611881 -7.602603 3.806120 27 1 0 2.080434 -4.951355 2.737849 28 1 0 1.465901 -6.530354 2.282606 29 1 0 2.111574 -5.538823 5.084109 30 1 0 0.625177 -6.316098 4.559779 31 1 0 2.628158 -7.847520 5.704501 32 1 0 1.748521 -8.462913 4.322398 33 7 0 4.545735 -8.432981 3.924353 34 1 0 5.304736 -8.296880 3.282506 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514812 0.000000 3 O 1.394242 2.400078 0.000000 4 O 5.455653 6.425078 6.011918 0.000000 5 C 4.279278 5.244124 4.879109 1.189452 0.000000 6 N 3.643422 4.577220 4.528018 2.239832 1.377332 7 C 2.399895 3.331757 3.466517 3.518961 2.460280 8 O 2.656649 3.392384 3.859849 4.466974 3.527811 9 N 1.492404 2.515679 2.367940 4.001696 2.815390 10 C 2.564216 3.396637 2.888054 3.563606 2.457695 11 C 3.754334 4.647931 4.090429 2.374054 1.469148 12 H 1.074947 2.120737 2.028071 5.647938 4.529572 13 H 2.142095 1.083845 3.328049 6.322354 5.188338 14 H 2.121445 1.083736 2.649863 7.396744 6.213775 15 H 4.394681 5.286603 5.344650 2.450122 2.033673 16 C 3.032405 3.471729 2.888288 4.864614 3.861365 17 Cl 5.264897 6.051961 5.331286 2.952255 2.694680 18 H 2.164583 1.077334 2.681798 6.576213 5.410019 19 H 1.937692 3.183411 0.947895 5.993611 4.929922 20 H 3.994071 4.541423 3.652963 4.884290 4.058382 21 H 2.661249 3.135975 2.110185 5.608556 4.550744 22 N 3.587922 3.413997 3.750841 5.547803 4.570711 23 C 4.732038 4.532090 5.083656 5.343948 4.573988 24 C 5.485830 4.862335 5.920488 6.678472 5.898881 25 C 5.475241 4.739666 5.622766 7.616542 6.727948 26 C 4.207369 3.667082 4.171424 6.939739 5.944576 27 H 4.645924 4.582741 5.214636 4.495281 3.787548 28 H 5.479535 5.440733 5.636149 5.482331 4.863067 29 H 5.251119 4.452295 5.906411 6.716061 5.892256 30 H 6.526270 5.927715 6.960834 7.128417 6.487077 31 H 5.847538 4.867960 6.044539 8.477379 7.543788 32 H 6.279012 5.671367 6.255184 8.083946 7.271854 33 N 4.244704 3.674370 3.905517 7.751944 6.699326 34 H 3.622873 3.314436 3.047233 7.440393 6.357479 6 7 8 9 10 6 N 0.000000 7 C 1.365131 0.000000 8 O 2.233270 1.197677 0.000000 9 N 2.328027 1.380399 2.266449 0.000000 10 C 2.707995 2.423088 3.527660 1.398674 0.000000 11 C 2.366531 2.790646 3.988191 2.370863 1.341386 12 H 3.639399 2.320558 2.129475 2.027695 3.319103 13 H 4.362073 3.157641 3.024340 2.733973 3.733711 14 H 5.480673 4.167225 4.020963 3.426298 4.350744 15 H 0.998668 2.005735 2.412893 3.214738 3.706410 16 C 4.221655 3.796769 4.776424 2.522311 1.523898 17 Cl 3.931002 4.521166 5.717816 4.005936 2.718272 18 H 4.983513 3.897346 4.202425 2.849884 3.296700 19 H 4.566189 3.586526 3.920377 2.721144 3.273864 20 H 4.719183 4.539861 5.607693 3.367463 2.124916 21 H 4.722970 4.054530 4.878388 2.684291 2.131007 22 N 4.827263 4.360415 5.226886 3.192711 2.454460 23 C 5.027473 4.890520 5.820093 4.000697 3.110006 24 C 6.161517 5.873681 6.622275 5.022622 4.405143 25 C 6.950497 6.447163 7.150744 5.365127 4.785892 26 C 6.111644 5.476439 6.195991 4.244351 3.709549 27 H 4.234792 4.285455 5.231736 3.657630 2.842500 28 H 5.565575 5.591225 6.615985 4.678799 3.552458 29 H 5.929722 5.551386 6.146837 4.854131 4.520999 30 H 6.863987 6.727387 7.504381 5.959451 5.248435 31 H 7.618606 6.989556 7.552701 5.942569 5.565936 32 H 7.657083 7.248339 8.035864 6.116699 5.355728 33 N 6.773465 5.971574 6.583492 4.660041 4.299959 34 H 6.390268 5.528339 6.125588 4.176402 3.901537 11 12 13 14 15 11 C 0.000000 12 H 4.322233 0.000000 13 H 4.825770 2.444617 0.000000 14 H 5.628802 2.425053 1.760937 0.000000 15 H 3.280887 4.196226 4.941938 6.132590 0.000000 16 C 2.494086 4.032224 4.067428 4.306400 5.218666 17 Cl 1.733898 5.943419 6.309622 7.021420 4.719000 18 H 4.575323 3.033182 1.763718 1.752020 5.791026 19 H 4.290823 2.149074 4.015138 3.343273 5.307397 20 H 2.592329 4.943093 5.144495 5.338523 5.706516 21 H 3.276543 3.671215 3.964133 3.761180 5.702122 22 N 3.329366 4.624725 3.822107 4.280869 5.775283 23 C 3.475176 5.687708 4.662843 5.480613 5.895784 24 C 4.914520 6.430025 4.872190 5.687034 6.964367 25 C 5.555156 6.491119 5.017603 5.356105 7.831738 26 C 4.688872 5.262205 4.197728 4.271960 7.049417 27 H 2.939391 5.480594 4.526988 5.619519 5.030794 28 H 3.669426 6.454092 5.667945 6.363992 6.443980 29 H 5.100752 6.097584 4.253495 5.268348 6.651762 30 H 5.561102 7.456607 5.877696 6.756264 7.619764 31 H 6.436924 6.811083 5.089348 5.325701 8.463713 32 H 6.009400 7.327754 6.032673 6.262098 8.565546 33 N 5.423726 5.266081 4.427684 3.983557 7.718944 34 H 5.096536 4.619245 4.229677 3.559140 7.340090 16 17 18 19 20 16 C 0.000000 17 Cl 3.091318 0.000000 18 H 2.948740 5.750579 0.000000 19 H 3.496943 5.535059 3.598870 0.000000 20 H 1.081383 2.556713 3.994683 4.106701 0.000000 21 H 1.071236 3.984471 2.663934 2.769518 1.736629 22 N 1.446476 3.810571 2.589927 4.542706 2.095434 23 C 2.516099 3.573967 3.766672 5.817219 2.770198 24 C 3.716360 5.081140 3.977525 6.762573 4.093307 25 C 3.695217 5.720217 3.696677 6.513284 4.061634 26 C 2.470103 5.066276 2.625654 5.050471 2.991651 27 H 2.818166 3.223585 4.025556 5.868559 3.134161 28 H 2.815359 3.238034 4.655605 6.298874 2.633642 29 H 4.093069 5.569371 3.683004 6.764318 4.681275 30 H 4.595693 5.475048 5.056613 7.782269 4.803814 31 H 4.525824 6.740890 3.836214 6.973932 5.008465 32 H 4.120441 5.875668 4.615081 7.103310 4.220080 33 N 2.988424 5.875522 2.677447 4.774275 3.497766 34 H 2.653487 5.671603 2.493735 3.868852 3.204973 21 22 23 24 25 21 H 0.000000 22 N 2.065673 0.000000 23 C 3.400249 1.461985 0.000000 24 C 4.375650 2.326662 1.524246 0.000000 25 C 4.029968 2.345092 2.369760 1.527672 0.000000 26 C 2.579806 1.395668 2.343892 2.397366 1.513951 27 H 3.796696 2.106800 1.080618 2.192071 3.330687 28 H 3.731760 2.113507 1.089506 2.168697 2.790184 29 H 4.690392 2.723860 2.147503 1.085113 2.162006 30 H 5.326956 3.284708 2.183774 1.082632 2.198401 31 H 4.705993 3.183456 3.325461 2.214084 1.080600 32 H 4.461719 2.945918 2.822315 2.169208 1.086725 33 N 2.616510 2.405416 3.567918 3.594045 2.430270 34 H 1.963656 2.575192 3.946279 4.278674 3.310643 26 27 28 29 30 26 C 0.000000 27 H 3.242784 0.000000 28 H 2.841838 1.754462 0.000000 29 H 2.853658 2.418889 3.041126 0.000000 30 H 3.338188 2.701800 2.436850 1.757400 0.000000 31 H 2.152103 4.181961 3.846444 2.445778 2.769039 32 H 2.116315 3.866782 2.824077 3.043405 2.434556 33 N 1.255225 4.428004 3.975010 3.955544 4.500637 34 H 1.903142 4.678173 4.342472 4.587912 5.239579 31 32 33 34 31 H 0.000000 32 H 1.750051 0.000000 33 N 2.681192 2.825552 0.000000 34 H 3.637589 3.708855 1.003282 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.299199 2.464861 -0.370898 2 6 0 0.867328 2.804680 0.533752 3 8 0 0.092048 2.444806 -1.708970 4 8 0 -3.592897 -1.817724 0.387498 5 6 0 -2.762904 -0.971716 0.286610 6 7 0 -2.926537 0.265887 0.868510 7 6 0 -2.132039 1.366215 0.721425 8 8 0 -2.434579 2.417543 1.208879 9 7 0 -0.977773 1.184585 -0.013545 10 6 0 -0.609346 -0.077738 -0.490086 11 6 0 -1.471297 -1.101689 -0.401325 12 1 0 -1.071869 3.198599 -0.229050 13 1 0 0.541678 2.817488 1.567438 14 1 0 1.225439 3.793142 0.270723 15 1 0 -3.774021 0.417424 1.374618 16 6 0 0.790858 -0.280599 -1.056250 17 17 0 -1.140425 -2.693805 -1.003068 18 1 0 1.682354 2.108720 0.424107 19 1 0 -0.639681 2.671649 -2.267200 20 1 0 0.768558 -1.144966 -1.705681 21 1 0 1.053891 0.567334 -1.655726 22 7 0 1.768077 -0.444400 -0.002445 23 6 0 1.728118 -1.633901 0.846608 24 6 0 2.931520 -1.424031 1.758259 25 6 0 3.942731 -0.791637 0.803633 26 6 0 3.087044 -0.025073 -0.182383 27 1 0 0.790040 -1.698756 1.379091 28 1 0 1.839854 -2.541099 0.253709 29 1 0 2.671410 -0.730542 2.551283 30 1 0 3.278211 -2.344356 2.210915 31 1 0 4.670452 -0.143324 1.270332 32 1 0 4.485561 -1.553358 0.250382 33 7 0 3.567507 0.821355 -0.975040 34 1 0 2.892966 1.251503 -1.580466 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4500827 0.3009790 0.2192756 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.5889680920 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.54D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999979 0.005463 -0.000962 0.003304 Ang= 0.74 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16296044 A.U. after 13 cycles NFock= 13 Conv=0.76D-08 -V/T= 2.0011 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 0.001546046 0.000393527 -0.003999998 2 6 0.001192797 -0.003071340 -0.001157461 3 8 0.001149775 0.000889487 0.005371984 4 8 -0.000906413 0.000538848 0.000112123 5 6 0.001205185 -0.001318509 -0.000617296 6 7 0.001716633 -0.000020367 -0.000899652 7 6 -0.003378722 0.000518962 0.001528468 8 8 0.000615098 0.001348710 -0.000803771 9 7 -0.000340828 0.001184197 -0.000850702 10 6 0.000051705 -0.000125644 0.000630590 11 6 -0.001258582 0.001033897 -0.000159860 12 1 0.000340740 -0.001539885 0.001673641 13 1 0.000177060 -0.000207731 -0.001711916 14 1 0.000076560 0.000167920 0.000284568 15 1 -0.000381347 0.000115326 -0.000041734 16 6 0.000113117 -0.000371955 -0.000035692 17 17 -0.000212179 0.000717424 -0.000365636 18 1 -0.000089164 0.000405288 0.000679898 19 1 -0.000479481 0.000568481 0.000033133 20 1 0.000046772 -0.000082409 0.000699182 21 1 -0.000439481 0.000191876 -0.000160999 22 7 -0.000840818 -0.001936527 -0.000451211 23 6 0.000731017 -0.000304765 -0.000758985 24 6 -0.000564602 -0.000156435 0.000372621 25 6 0.000291446 -0.000642682 0.000511993 26 6 -0.001006356 0.001256424 -0.000888403 27 1 0.000191728 0.000383026 0.000570226 28 1 0.000277234 0.000629861 -0.000043552 29 1 -0.000379322 -0.000208345 0.000059214 30 1 -0.000043377 -0.000051275 -0.000186118 31 1 0.000207195 0.000164725 0.000079508 32 1 0.000016841 0.000308178 0.000245737 33 7 0.001004859 -0.000312425 0.000690742 34 1 -0.000631132 -0.000465865 -0.000410641 ------------------------------------------------------------------- Cartesian Forces: Max 0.005371984 RMS 0.001075691 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004592409 RMS 0.000954351 Search for a local minimum. Step number 21 out of a maximum of 197 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 19 20 21 DE= -1.61D-04 DEPred=-3.69D-04 R= 4.36D-01 Trust test= 4.36D-01 RLast= 2.51D-01 DXMaxT set to 1.59D+00 ITU= 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 1 ITU= 0 Eigenvalues --- 0.00227 0.00272 0.00431 0.00579 0.00831 Eigenvalues --- 0.00906 0.01089 0.01186 0.01313 0.01462 Eigenvalues --- 0.01816 0.01971 0.02224 0.02309 0.02544 Eigenvalues --- 0.03037 0.03227 0.03318 0.03765 0.04035 Eigenvalues --- 0.04957 0.05380 0.05434 0.05440 0.05713 Eigenvalues --- 0.05787 0.05871 0.06143 0.06300 0.06564 Eigenvalues --- 0.06593 0.06873 0.07380 0.08273 0.08565 Eigenvalues --- 0.09311 0.09444 0.10013 0.10928 0.13644 Eigenvalues --- 0.15897 0.15981 0.16050 0.16480 0.16526 Eigenvalues --- 0.17312 0.20269 0.20351 0.21274 0.22233 Eigenvalues --- 0.22526 0.23533 0.23727 0.24859 0.24955 Eigenvalues --- 0.25128 0.25515 0.26368 0.27304 0.27835 Eigenvalues --- 0.28337 0.29221 0.30714 0.31626 0.32059 Eigenvalues --- 0.32517 0.33739 0.33808 0.33828 0.33836 Eigenvalues --- 0.33868 0.33921 0.33978 0.34038 0.34327 Eigenvalues --- 0.34484 0.35133 0.35895 0.36258 0.37226 Eigenvalues --- 0.37935 0.39151 0.39937 0.41006 0.45914 Eigenvalues --- 0.48097 0.48776 0.49370 0.51595 0.56721 Eigenvalues --- 0.60894 0.67560 0.78351 0.88760 0.95368 Eigenvalues --- 1.26341 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 RFO step: Lambda=-3.96309040D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.47996 0.52004 Iteration 1 RMS(Cart)= 0.02759594 RMS(Int)= 0.00072261 Iteration 2 RMS(Cart)= 0.00084455 RMS(Int)= 0.00001368 Iteration 3 RMS(Cart)= 0.00000175 RMS(Int)= 0.00001363 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001363 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86258 -0.00162 -0.00309 0.00099 -0.00209 2.86049 R2 2.63474 -0.00362 -0.00541 0.00238 -0.00302 2.63171 R3 2.82023 0.00459 0.00475 -0.00052 0.00423 2.82446 R4 2.03136 -0.00090 -0.00034 -0.00044 -0.00079 2.03057 R5 2.04817 -0.00100 -0.00188 0.00125 -0.00064 2.04753 R6 2.04796 0.00012 0.00009 -0.00034 -0.00024 2.04772 R7 2.03587 -0.00012 0.00052 -0.00042 0.00011 2.03597 R8 1.79126 -0.00020 0.00101 -0.00161 -0.00060 1.79066 R9 2.24774 0.00068 -0.00014 -0.00002 -0.00015 2.24759 R10 2.60278 -0.00078 -0.00025 -0.00011 -0.00035 2.60243 R11 2.77629 -0.00103 -0.00034 0.00035 0.00001 2.77629 R12 2.57972 -0.00060 0.00013 -0.00008 0.00006 2.57978 R13 1.88721 0.00006 0.00005 0.00001 0.00006 1.88727 R14 2.26328 0.00074 0.00041 -0.00091 -0.00050 2.26278 R15 2.60858 0.00223 -0.00047 0.00204 0.00157 2.61015 R16 2.64311 0.00281 0.00060 -0.00041 0.00019 2.64330 R17 2.53485 0.00218 0.00078 -0.00098 -0.00020 2.53465 R18 2.87975 0.00179 0.00036 -0.00032 0.00004 2.87979 R19 3.27659 0.00004 0.00024 -0.00089 -0.00065 3.27594 R20 2.04352 -0.00051 -0.00042 0.00038 -0.00004 2.04348 R21 2.02434 -0.00049 -0.00138 0.00155 0.00017 2.02451 R22 2.73344 0.00025 -0.00184 0.00249 0.00065 2.73409 R23 2.76275 -0.00038 0.00037 -0.00078 -0.00039 2.76236 R24 2.63743 -0.00021 0.00168 -0.00328 -0.00159 2.63584 R25 2.88041 0.00077 -0.00148 0.00266 0.00118 2.88159 R26 2.04207 0.00024 -0.00031 0.00039 0.00008 2.04215 R27 2.05887 -0.00044 0.00080 -0.00160 -0.00080 2.05807 R28 2.88688 0.00004 -0.00041 0.00083 0.00040 2.88728 R29 2.05057 -0.00025 -0.00016 -0.00005 -0.00022 2.05035 R30 2.04588 0.00002 -0.00014 0.00010 -0.00004 2.04583 R31 2.86095 0.00018 -0.00022 0.00032 0.00009 2.86104 R32 2.04204 0.00009 0.00007 -0.00002 0.00006 2.04209 R33 2.05361 -0.00032 0.00002 -0.00056 -0.00054 2.05307 R34 2.37203 0.00082 -0.00101 0.00167 0.00066 2.37269 R35 1.89593 -0.00028 -0.00033 0.00035 0.00002 1.89595 A1 1.93936 -0.00365 -0.01208 0.00164 -0.01045 1.92891 A2 1.98187 -0.00020 -0.00085 0.00293 0.00207 1.98393 A3 1.89822 -0.00007 -0.00036 -0.00078 -0.00114 1.89708 A4 1.92309 0.00372 0.00801 -0.00201 0.00604 1.92913 A5 1.91576 0.00020 0.00116 -0.00013 0.00110 1.91686 A6 1.79993 0.00028 0.00528 -0.00196 0.00334 1.80327 A7 1.91861 -0.00243 -0.00682 0.00371 -0.00311 1.91549 A8 1.89034 0.00053 0.00357 -0.00442 -0.00084 1.88950 A9 1.95723 0.00140 0.00277 -0.00040 0.00239 1.95961 A10 1.89650 0.00060 0.00079 0.00016 0.00093 1.89744 A11 1.90922 0.00026 -0.00112 0.00141 0.00030 1.90952 A12 1.89075 -0.00033 0.00090 -0.00057 0.00035 1.89110 A13 1.92317 -0.00105 -0.00593 0.00453 -0.00140 1.92177 A14 2.11808 -0.00011 0.00005 0.00032 0.00037 2.11845 A15 2.20218 -0.00009 -0.00010 0.00010 0.00000 2.20218 A16 1.96251 0.00019 -0.00014 -0.00046 -0.00060 1.96191 A17 2.22634 0.00034 -0.00137 0.00215 0.00082 2.22716 A18 2.03899 -0.00045 0.00013 -0.00059 -0.00043 2.03856 A19 2.01107 0.00015 -0.00010 0.00036 0.00029 2.01136 A20 2.11375 -0.00203 -0.00185 -0.00002 -0.00188 2.11186 A21 2.02413 0.00112 0.00086 -0.00099 -0.00014 2.02399 A22 2.14531 0.00091 0.00099 0.00102 0.00199 2.14730 A23 1.97666 -0.00019 0.00182 0.00158 0.00340 1.98007 A24 2.18081 0.00199 -0.00102 -0.00027 -0.00129 2.17952 A25 2.11813 -0.00177 -0.00060 -0.00111 -0.00171 2.11642 A26 2.09108 -0.00072 -0.00119 0.00205 0.00088 2.09196 A27 2.08146 0.00291 0.00236 -0.00422 -0.00182 2.07964 A28 2.10993 -0.00218 -0.00167 0.00253 0.00090 2.11083 A29 2.12749 0.00083 0.00037 -0.00046 -0.00009 2.12740 A30 1.99490 -0.00176 -0.00145 0.00140 -0.00003 1.99488 A31 2.15958 0.00094 0.00063 -0.00047 0.00019 2.15977 A32 1.88660 -0.00079 -0.00147 0.00194 0.00049 1.88708 A33 1.90514 -0.00014 0.00509 -0.00704 -0.00195 1.90319 A34 1.94460 0.00217 -0.00356 0.00489 0.00133 1.94592 A35 1.87725 0.00019 0.00089 -0.00060 0.00029 1.87755 A36 1.94007 -0.00104 -0.00003 -0.00004 -0.00005 1.94002 A37 1.90863 -0.00046 -0.00067 0.00050 -0.00018 1.90846 A38 2.09067 0.00015 0.00237 0.00046 0.00281 2.09348 A39 2.10657 0.00008 0.00052 0.00033 0.00083 2.10740 A40 1.92320 -0.00011 -0.00107 0.00246 0.00140 1.92460 A41 1.78620 0.00016 -0.00201 0.00261 0.00062 1.78683 A42 1.93770 0.00004 -0.00097 0.00137 0.00039 1.93809 A43 1.93760 -0.00010 -0.00101 0.00142 0.00041 1.93801 A44 1.98113 -0.00033 0.00463 -0.00705 -0.00243 1.97870 A45 1.93816 0.00017 -0.00115 0.00200 0.00085 1.93901 A46 1.88306 0.00006 0.00034 -0.00015 0.00019 1.88325 A47 1.77813 -0.00003 -0.00095 0.00318 0.00222 1.78035 A48 1.91330 -0.00004 -0.00079 0.00022 -0.00057 1.91273 A49 1.96692 0.00010 0.00177 -0.00222 -0.00045 1.96647 A50 1.92921 -0.00014 -0.00130 -0.00003 -0.00132 1.92789 A51 1.98362 0.00016 0.00035 0.00037 0.00072 1.98434 A52 1.89071 -0.00005 0.00075 -0.00130 -0.00055 1.89016 A53 1.81570 -0.00020 0.00001 0.00095 0.00095 1.81665 A54 2.00893 0.00011 0.00462 -0.00614 -0.00151 2.00741 A55 1.93758 -0.00013 -0.00513 0.00632 0.00121 1.93879 A56 1.93707 0.00020 0.00294 -0.00371 -0.00074 1.93632 A57 1.88143 -0.00001 -0.00289 0.00317 0.00030 1.88172 A58 1.87970 0.00003 -0.00005 -0.00001 -0.00008 1.87961 A59 1.87344 0.00042 -0.00156 0.00239 0.00083 1.87427 A60 2.27280 0.00015 0.00226 -0.00223 0.00004 2.27284 A61 2.13693 -0.00057 -0.00077 -0.00014 -0.00090 2.13603 A62 1.99635 -0.00018 -0.00011 -0.00005 -0.00016 1.99619 D1 3.13906 -0.00128 -0.00443 0.01901 0.01460 -3.12953 D2 1.06936 -0.00092 -0.00356 0.01931 0.01574 1.08510 D3 -1.01617 -0.00171 -0.00877 0.02316 0.01440 -1.00176 D4 -0.96456 0.00062 -0.00399 0.01990 0.01590 -0.94866 D5 -3.03426 0.00098 -0.00312 0.02020 0.01705 -3.01721 D6 1.16340 0.00019 -0.00833 0.02405 0.01571 1.17911 D7 1.02840 0.00081 0.00180 0.01866 0.02046 1.04886 D8 -1.04131 0.00116 0.00266 0.01896 0.02161 -1.01970 D9 -3.12683 0.00037 -0.00255 0.02281 0.02027 -3.10656 D10 -2.64110 0.00048 -0.05595 -0.04934 -0.10527 -2.74636 D11 1.42983 0.00065 -0.05180 -0.05287 -0.10470 1.32513 D12 -0.54079 -0.00182 -0.06328 -0.04935 -0.11263 -0.65342 D13 1.73621 0.00067 0.00086 0.02015 0.02101 1.75721 D14 -1.53641 0.00081 0.00262 0.02185 0.02446 -1.51195 D15 -2.35870 -0.00138 -0.00951 0.02296 0.01348 -2.34522 D16 0.65187 -0.00123 -0.00776 0.02466 0.01693 0.66880 D17 -0.31474 0.00068 -0.00153 0.02086 0.01930 -0.29544 D18 2.69583 0.00083 0.00022 0.02255 0.02275 2.71858 D19 -3.01284 -0.00067 0.00460 -0.01057 -0.00598 -3.01882 D20 -0.00303 -0.00021 -0.00718 0.00796 0.00078 -0.00225 D21 0.15817 -0.00009 0.01012 -0.00912 0.00100 0.15917 D22 -3.11521 0.00038 -0.00165 0.00941 0.00777 -3.10744 D23 3.11368 0.00017 0.00635 -0.00863 -0.00228 3.11140 D24 -0.07907 0.00047 -0.00174 0.00116 -0.00059 -0.07966 D25 -0.05903 -0.00044 0.00051 -0.01016 -0.00966 -0.06869 D26 3.03141 -0.00014 -0.00758 -0.00037 -0.00797 3.02344 D27 3.04825 -0.00016 -0.00985 0.01226 0.00242 3.05067 D28 -0.09408 0.00074 -0.01139 0.02225 0.01086 -0.08322 D29 0.03664 -0.00058 0.00174 -0.00596 -0.00420 0.03244 D30 -3.10569 0.00032 0.00020 0.00403 0.00424 -3.10145 D31 2.93839 -0.00032 0.00345 -0.01491 -0.01147 2.92692 D32 -0.07747 -0.00077 0.00180 -0.01660 -0.01480 -0.09226 D33 -0.20395 0.00060 0.00187 -0.00472 -0.00285 -0.20680 D34 3.06337 0.00015 0.00022 -0.00641 -0.00617 3.05720 D35 -2.83526 -0.00018 0.00561 -0.00265 0.00297 -2.83229 D36 0.34664 -0.00026 0.01690 -0.01288 0.00401 0.35064 D37 0.16529 0.00012 0.00766 -0.00063 0.00703 0.17233 D38 -2.93599 0.00004 0.01895 -0.01086 0.00807 -2.92793 D39 -0.09071 0.00035 -0.00881 0.01467 0.00586 -0.08485 D40 3.10695 0.00010 0.00014 0.00388 0.00402 3.11097 D41 3.00991 0.00055 -0.02014 0.02491 0.00475 3.01465 D42 -0.07562 0.00030 -0.01119 0.01412 0.00291 -0.07272 D43 -2.75726 -0.00003 0.00467 0.02192 0.02659 -2.73067 D44 -0.72028 -0.00031 0.00767 0.01848 0.02615 -0.69413 D45 1.38939 0.00041 0.00791 0.01755 0.02548 1.41486 D46 0.42509 -0.00015 0.01606 0.01159 0.02764 0.45272 D47 2.46207 -0.00043 0.01906 0.00814 0.02720 2.48927 D48 -1.71145 0.00029 0.01931 0.00722 0.02653 -1.68493 D49 1.17169 -0.00097 0.00047 -0.02657 -0.02609 1.14560 D50 -2.60950 -0.00081 0.00333 -0.01997 -0.01664 -2.62613 D51 -0.93376 -0.00074 0.00476 -0.03235 -0.02759 -0.96134 D52 1.56824 -0.00059 0.00762 -0.02575 -0.01813 1.55011 D53 -3.00388 -0.00006 0.00410 -0.03191 -0.02780 -3.03168 D54 -0.50188 0.00010 0.00696 -0.02531 -0.01835 -0.52023 D55 3.10775 -0.00002 0.01131 -0.00590 0.00541 3.11316 D56 -1.05597 -0.00029 0.01511 -0.01201 0.00310 -1.05287 D57 1.03867 -0.00026 0.01421 -0.01033 0.00388 1.04255 D58 0.54474 -0.00021 0.00834 -0.01123 -0.00289 0.54185 D59 2.66421 -0.00048 0.01214 -0.01734 -0.00519 2.65901 D60 -1.52434 -0.00045 0.01125 -0.01566 -0.00441 -1.52875 D61 -2.75919 -0.00027 -0.00989 -0.00264 -0.01253 -2.77173 D62 0.38907 -0.00034 -0.00309 -0.00637 -0.00947 0.37960 D63 -0.20228 -0.00004 -0.00620 0.00281 -0.00340 -0.20568 D64 2.94598 -0.00011 0.00060 -0.00092 -0.00034 2.94564 D65 -0.64866 0.00025 -0.00686 0.01460 0.00774 -0.64092 D66 1.39515 0.00006 -0.00915 0.01627 0.00712 1.40227 D67 -2.78086 0.00003 -0.00758 0.01330 0.00572 -2.77514 D68 -2.73803 0.00026 -0.00675 0.01485 0.00810 -2.72993 D69 -0.69421 0.00007 -0.00904 0.01652 0.00748 -0.68674 D70 1.41296 0.00005 -0.00747 0.01355 0.00608 1.41904 D71 1.42001 0.00029 -0.00967 0.01863 0.00896 1.42897 D72 -2.81935 0.00010 -0.01196 0.02030 0.00834 -2.81101 D73 -0.71218 0.00008 -0.01039 0.01733 0.00694 -0.70524 D74 0.53658 -0.00043 0.00370 -0.01310 -0.00941 0.52717 D75 2.65979 -0.00027 0.01011 -0.02065 -0.01055 2.64924 D76 -1.48261 -0.00025 0.00940 -0.02024 -0.01084 -1.49344 D77 -1.49571 -0.00031 0.00564 -0.01500 -0.00936 -1.50506 D78 0.62750 -0.00014 0.01206 -0.02255 -0.01050 0.61701 D79 2.76829 -0.00013 0.01134 -0.02214 -0.01078 2.75751 D80 2.65726 -0.00026 0.00540 -0.01355 -0.00815 2.64911 D81 -1.50271 -0.00009 0.01181 -0.02109 -0.00929 -1.51201 D82 0.63807 -0.00007 0.01110 -0.02068 -0.00958 0.62849 D83 -0.22486 0.00018 0.00160 0.00632 0.00792 -0.21694 D84 2.91069 0.00024 -0.00451 0.00968 0.00516 2.91585 D85 -2.39515 0.00006 -0.00569 0.01525 0.00957 -2.38559 D86 0.74041 0.00013 -0.01180 0.01861 0.00681 0.74721 D87 1.83347 -0.00008 -0.00554 0.01545 0.00991 1.84338 D88 -1.31416 -0.00002 -0.01165 0.01882 0.00715 -1.30701 D89 -0.01631 -0.00068 -0.00931 0.00426 -0.00505 -0.02135 D90 3.13283 -0.00076 -0.00162 0.00003 -0.00159 3.13123 Item Value Threshold Converged? Maximum Force 0.004592 0.000450 NO RMS Force 0.000954 0.000300 NO Maximum Displacement 0.121693 0.001800 NO RMS Displacement 0.027326 0.001200 NO Predicted change in Energy=-2.079679D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.744696 -5.019337 2.621449 2 6 0 6.469252 -5.317270 4.079759 3 8 0 7.124842 -6.178547 1.949753 4 8 0 3.323122 -2.328633 -0.670329 5 6 0 3.940871 -2.961770 0.124735 6 7 0 4.896407 -2.373707 0.923275 7 6 0 5.765395 -2.992000 1.775473 8 8 0 6.614262 -2.371315 2.348162 9 7 0 5.604335 -4.356317 1.918644 10 6 0 4.539323 -5.029274 1.310828 11 6 0 3.769248 -4.391301 0.416958 12 1 0 7.530641 -4.289045 2.561603 13 1 0 6.163088 -4.410251 4.587274 14 1 0 7.386213 -5.676176 4.532058 15 1 0 5.045154 -1.393839 0.800269 16 6 0 4.239676 -6.466666 1.718810 17 17 0 2.453160 -5.139113 -0.427965 18 1 0 5.710654 -6.071784 4.206272 19 1 0 7.617504 -5.957227 1.171161 20 1 0 3.708676 -6.943204 0.906228 21 1 0 5.163763 -6.991734 1.853373 22 7 0 3.474508 -6.520981 2.945536 23 6 0 2.110937 -5.995293 2.978943 24 6 0 1.682512 -6.288782 4.412659 25 6 0 2.349988 -7.638091 4.673950 26 6 0 3.595706 -7.605614 3.814110 27 1 0 2.094607 -4.942994 2.733538 28 1 0 1.473757 -6.515451 2.265119 29 1 0 2.086837 -5.530945 5.075552 30 1 0 0.606579 -6.305371 4.531553 31 1 0 2.598948 -7.832258 5.707429 32 1 0 1.726557 -8.456609 4.325083 33 7 0 4.522943 -8.442515 3.941733 34 1 0 5.286837 -8.314586 3.304007 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513704 0.000000 3 O 1.392643 2.389251 0.000000 4 O 5.457368 6.433772 6.011634 0.000000 5 C 4.281191 5.251981 4.880165 1.189371 0.000000 6 N 3.646824 4.593669 4.527293 2.239828 1.377147 7 C 2.405162 3.348437 3.468797 3.519474 2.460637 8 O 2.665280 3.420249 3.861921 4.465950 3.526937 9 N 1.494642 2.518319 2.373485 4.002277 2.816023 10 C 2.565443 3.387410 2.900684 3.563368 2.457546 11 C 3.755995 4.643657 4.099234 2.373989 1.469152 12 H 1.074532 2.118630 2.027129 5.656131 4.537227 13 H 2.138626 1.083508 3.317884 6.327791 5.191397 14 H 2.119766 1.083607 2.643670 7.401323 6.217948 15 H 4.398793 5.308147 5.342270 2.449876 2.033272 16 C 3.030617 3.444735 2.908699 4.865324 3.861949 17 Cl 5.265981 6.039894 5.344023 2.952012 2.694361 18 H 2.165307 1.077390 2.665184 6.594902 5.428007 19 H 1.935140 3.191860 0.947577 5.916037 4.856480 20 H 3.982545 4.509517 3.652922 4.891672 4.064045 21 H 2.641901 3.076512 2.125181 5.612623 4.552390 22 N 3.613045 3.421093 3.799182 5.538338 4.565347 23 C 4.748896 4.546034 5.121725 5.313283 4.549442 24 C 5.517756 4.895666 5.974699 6.649147 5.878391 25 C 5.512177 4.765251 5.687773 7.595964 6.715225 26 C 4.245869 3.682982 4.238768 6.930442 5.941036 27 H 4.652066 4.592376 5.238719 4.464353 3.760291 28 H 5.490731 5.448259 5.669896 5.437505 4.826649 29 H 5.289614 4.499203 5.964186 6.693158 5.877813 30 H 6.555826 5.962499 7.012099 7.088980 6.458886 31 H 5.884133 4.894255 6.110533 8.455183 7.529201 32 H 6.316559 5.692872 6.322440 8.065684 7.262187 33 N 4.289228 3.684336 3.982890 7.751790 6.704241 34 H 3.667410 3.314182 3.126488 7.448702 6.369617 6 7 8 9 10 6 N 0.000000 7 C 1.365162 0.000000 8 O 2.231890 1.197413 0.000000 9 N 2.328661 1.381231 2.268186 0.000000 10 C 2.707350 2.422733 3.527915 1.398772 0.000000 11 C 2.365910 2.790736 3.987981 2.371461 1.341278 12 H 3.645795 2.327320 2.136116 2.031890 3.325712 13 H 4.379142 3.174244 3.061771 2.727031 3.708760 14 H 5.488966 4.174998 4.035767 3.427396 4.347366 15 H 0.998698 2.005963 2.411127 3.215544 3.705796 16 C 4.220957 3.795303 4.775629 2.521071 1.523920 17 Cl 3.929730 4.520634 5.716848 4.006152 2.718003 18 H 5.011671 3.923882 4.238225 2.861359 3.292786 19 H 4.506376 3.547967 3.905200 2.678524 3.218043 20 H 4.721366 4.538468 5.605691 3.363108 2.125277 21 H 4.718340 4.045478 4.867959 2.672786 2.129678 22 N 4.828170 4.367026 5.237809 3.205689 2.455869 23 C 5.010040 4.880899 5.814726 4.001788 3.100461 24 C 6.150832 5.873113 6.628036 5.033411 4.401032 25 C 6.947342 6.453862 7.164653 5.380755 4.786408 26 C 6.117320 5.490813 6.217602 4.264424 3.714076 27 H 4.210507 4.266022 5.214339 3.650538 2.829873 28 H 5.537971 5.574281 6.603450 4.673711 3.537949 29 H 5.924799 5.555948 6.157881 4.870176 4.521008 30 H 6.846917 6.722186 7.505747 5.966881 5.240989 31 H 7.613293 6.993909 7.565006 5.955620 5.563440 32 H 7.656497 7.257732 8.051626 6.135185 5.361343 33 N 6.788298 5.995372 6.616083 4.686076 4.309541 34 H 6.412048 5.558358 6.164265 4.205701 3.914692 11 12 13 14 15 11 C 0.000000 12 H 4.331054 0.000000 13 H 4.808571 2.447087 0.000000 14 H 5.627378 2.414060 1.761149 0.000000 15 H 3.280189 4.202637 4.968896 6.143713 0.000000 16 C 2.494646 4.035193 4.019507 4.294174 5.217862 17 Cl 1.733553 5.953230 6.280719 7.016073 4.717422 18 H 4.577333 3.032400 1.763675 1.752182 5.824682 19 H 4.222560 2.173409 4.022224 3.380550 5.251576 20 H 2.599089 4.938851 5.098048 5.317545 5.709015 21 H 3.281799 3.661725 3.890619 3.720932 5.697326 22 N 3.319053 4.645553 3.791958 4.304902 5.775525 23 C 3.447688 5.697249 4.638860 5.508406 5.876192 24 C 4.890862 6.451820 4.861577 5.737748 6.951057 25 C 5.538766 6.520529 4.996619 5.406738 7.826878 26 C 4.680017 5.296425 4.171280 4.313482 7.054806 27 H 2.911241 5.477926 4.502520 5.636783 5.003974 28 H 3.632766 6.459925 5.640398 6.387529 6.413390 29 H 5.082499 6.123501 4.255607 5.329152 6.644195 30 H 5.531368 7.475888 5.871062 6.808768 7.599116 31 H 6.418634 6.839019 5.066357 5.380343 8.456795 32 H 5.997729 7.359745 6.010371 6.309148 8.562717 33 N 5.422585 5.310586 4.400676 4.024852 7.734684 34 H 5.101988 4.668062 4.202192 3.588411 7.363684 16 17 18 19 20 16 C 0.000000 17 Cl 3.092359 0.000000 18 H 2.916706 5.740845 0.000000 19 H 3.459648 5.467811 3.586238 0.000000 20 H 1.081360 2.571214 3.956966 4.039959 0.000000 21 H 1.071326 3.998009 2.584866 2.748902 1.736870 22 N 1.446820 3.785925 2.606066 4.542096 2.095683 23 C 2.518265 3.529474 3.803965 5.795843 2.783425 24 C 3.718542 5.034609 4.039259 6.770625 4.102277 25 C 3.698110 5.681996 3.737127 6.545347 4.065051 26 C 2.470260 5.038278 2.641861 5.086965 2.984515 27 H 2.820030 3.187809 4.064346 5.828557 3.153589 28 H 2.819777 3.179032 4.681475 6.265299 2.650362 29 H 4.096097 5.529596 3.765661 6.783382 4.691280 30 H 4.597492 5.419118 5.119761 7.782448 4.813816 31 H 4.523927 6.702041 3.877557 7.019926 5.007339 32 H 4.131380 5.841678 4.644839 7.134240 4.231756 33 N 2.987575 5.855829 2.664771 4.840354 3.482134 34 H 2.650321 5.660475 2.454356 3.941849 3.181293 21 22 23 24 25 21 H 0.000000 22 N 2.065916 0.000000 23 C 3.402873 1.461777 0.000000 24 C 4.377579 2.327578 1.524870 0.000000 25 C 4.036182 2.345186 2.372547 1.527885 0.000000 26 C 2.584596 1.394825 2.344179 2.398462 1.514000 27 H 3.793644 2.106921 1.080659 2.190985 3.330761 28 H 3.743330 2.113292 1.089085 2.169536 2.798315 29 H 4.688690 2.728145 2.147551 1.084999 2.161157 30 H 5.330259 3.284350 2.183996 1.082609 2.199066 31 H 4.705157 3.180268 3.325241 2.213279 1.080629 32 H 4.479910 2.950447 2.831592 2.170043 1.086437 33 N 2.622339 2.404977 3.568422 3.595607 2.430016 34 H 1.967085 2.574889 3.946027 4.280672 3.310510 26 27 28 29 30 26 C 0.000000 27 H 3.241987 0.000000 28 H 2.844379 1.754278 0.000000 29 H 2.858702 2.414701 3.040338 0.000000 30 H 3.337699 2.702435 2.435745 1.756939 0.000000 31 H 2.151639 4.176869 3.853509 2.440813 2.771931 32 H 2.116366 3.874786 2.841734 3.041795 2.434092 33 N 1.255572 4.427550 3.977706 3.961995 4.500354 34 H 1.903358 4.677969 4.342321 4.596416 5.239144 31 32 33 34 31 H 0.000000 32 H 1.749789 0.000000 33 N 2.681764 2.822576 0.000000 34 H 3.637833 3.706530 1.003292 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.348941 2.478825 -0.359771 2 6 0 0.833469 2.825041 0.519627 3 8 0 0.021523 2.489230 -1.702195 4 8 0 -3.554776 -1.877454 0.367080 5 6 0 -2.742326 -1.013804 0.274141 6 7 0 -2.929940 0.214156 0.868658 7 6 0 -2.154887 1.330304 0.737616 8 8 0 -2.479111 2.368553 1.238332 9 7 0 -1.000402 1.181034 -0.005810 10 6 0 -0.605678 -0.070403 -0.490229 11 6 0 -1.445079 -1.113337 -0.408246 12 1 0 -1.126878 3.200533 -0.190748 13 1 0 0.534695 2.801439 1.560861 14 1 0 1.157121 3.829458 0.273456 15 1 0 -3.779477 0.342927 1.377679 16 6 0 0.799357 -0.238030 -1.056011 17 17 0 -1.077743 -2.695161 -1.014962 18 1 0 1.663733 2.154902 0.370141 19 1 0 -0.740740 2.620786 -2.249509 20 1 0 0.791097 -1.081578 -1.732545 21 1 0 1.052337 0.632299 -1.627209 22 7 0 1.775883 -0.421675 -0.004364 23 6 0 1.731969 -1.620425 0.831018 24 6 0 2.933222 -1.423071 1.749316 25 6 0 3.947008 -0.770618 0.810713 26 6 0 3.094180 0.001394 -0.173602 27 1 0 0.793243 -1.689248 1.361942 28 1 0 1.842737 -2.521011 0.228706 29 1 0 2.668924 -0.744043 2.553239 30 1 0 3.280097 -2.350182 2.187703 31 1 0 4.664124 -0.121541 1.292589 32 1 0 4.502175 -1.519894 0.253290 33 7 0 3.577079 0.857273 -0.955101 34 1 0 2.905253 1.289480 -1.562095 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4482491 0.3015963 0.2191525 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.2189734852 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.54D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999968 -0.003882 0.000577 -0.006947 Ang= -0.91 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16321874 A.U. after 12 cycles NFock= 12 Conv=0.58D-08 -V/T= 2.0011 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 0.000817437 0.000313870 -0.002949960 2 6 0.001006114 -0.002099048 -0.000804723 3 8 -0.000380422 0.000740792 0.003881464 4 8 -0.000611445 0.000433056 -0.000249313 5 6 0.000397346 -0.000980263 0.000390659 6 7 0.001313104 -0.000030802 -0.001005256 7 6 -0.001947817 0.000345257 0.000555011 8 8 0.000485274 0.000873618 -0.000162723 9 7 0.000392597 0.000788405 -0.000402107 10 6 -0.000310529 -0.000157956 0.001002716 11 6 -0.000799220 0.000693602 -0.000600262 12 1 0.000123537 -0.000762768 0.000968686 13 1 0.000151734 -0.000202624 -0.001070616 14 1 0.000026362 0.000098221 0.000359402 15 1 -0.000287734 0.000086685 0.000030174 16 6 -0.000049037 -0.000387627 -0.000061577 17 17 0.000004897 0.000526798 -0.000558372 18 1 -0.000160605 0.000419543 0.000702497 19 1 0.000554330 0.000493360 -0.000313363 20 1 0.000046771 -0.000152563 0.000352117 21 1 -0.000344297 -0.000020530 -0.000084479 22 7 -0.000551318 -0.001360414 -0.000519265 23 6 0.000360905 -0.000422019 -0.000280744 24 6 -0.000143983 -0.000037933 0.000306949 25 6 0.000087326 -0.000594097 0.000267848 26 6 -0.000465466 0.001605769 -0.000409383 27 1 0.000184004 0.000204258 0.000538486 28 1 0.000192416 0.000533761 -0.000002218 29 1 -0.000374091 -0.000109072 0.000068851 30 1 -0.000032689 -0.000134658 -0.000195647 31 1 0.000213651 0.000097895 0.000046471 32 1 -0.000057032 0.000187845 0.000183938 33 7 0.000864415 -0.000395804 0.000469679 34 1 -0.000706534 -0.000594558 -0.000454941 ------------------------------------------------------------------- Cartesian Forces: Max 0.003881464 RMS 0.000764378 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002700770 RMS 0.000698611 Search for a local minimum. Step number 22 out of a maximum of 197 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 19 20 21 22 DE= -2.58D-04 DEPred=-2.08D-04 R= 1.24D+00 TightC=F SS= 1.41D+00 RLast= 2.25D-01 DXNew= 2.6785D+00 6.7592D-01 Trust test= 1.24D+00 RLast= 2.25D-01 DXMaxT set to 1.59D+00 ITU= 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 0 ITU= 1 0 Eigenvalues --- 0.00246 0.00304 0.00432 0.00511 0.00823 Eigenvalues --- 0.00897 0.01051 0.01194 0.01302 0.01463 Eigenvalues --- 0.01833 0.01958 0.02091 0.02327 0.02577 Eigenvalues --- 0.03030 0.03236 0.03614 0.03723 0.04083 Eigenvalues --- 0.04964 0.05374 0.05420 0.05473 0.05712 Eigenvalues --- 0.05793 0.05891 0.06229 0.06368 0.06560 Eigenvalues --- 0.06621 0.06875 0.07381 0.08259 0.08568 Eigenvalues --- 0.09160 0.09338 0.10017 0.10933 0.13857 Eigenvalues --- 0.15908 0.16001 0.16062 0.16461 0.16539 Eigenvalues --- 0.17795 0.20303 0.20708 0.21130 0.21906 Eigenvalues --- 0.22582 0.23419 0.24053 0.24875 0.24985 Eigenvalues --- 0.25111 0.25764 0.26308 0.27048 0.27929 Eigenvalues --- 0.28335 0.29164 0.30244 0.31710 0.32036 Eigenvalues --- 0.32528 0.33710 0.33807 0.33828 0.33839 Eigenvalues --- 0.33872 0.33913 0.33989 0.34062 0.34386 Eigenvalues --- 0.34466 0.35098 0.35853 0.36235 0.37183 Eigenvalues --- 0.37795 0.38963 0.39572 0.40935 0.46146 Eigenvalues --- 0.48204 0.48776 0.49583 0.50979 0.56676 Eigenvalues --- 0.57961 0.65457 0.77444 0.88335 0.94143 Eigenvalues --- 1.05368 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 RFO step: Lambda=-3.05872838D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.81041 -0.25952 -0.55090 Iteration 1 RMS(Cart)= 0.02489649 RMS(Int)= 0.00020501 Iteration 2 RMS(Cart)= 0.00039504 RMS(Int)= 0.00003312 Iteration 3 RMS(Cart)= 0.00000009 RMS(Int)= 0.00003312 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86049 -0.00062 0.00157 -0.00233 -0.00076 2.85973 R2 2.63171 -0.00270 0.00328 -0.00330 -0.00002 2.63169 R3 2.82446 0.00244 -0.00160 0.00211 0.00051 2.82497 R4 2.03057 -0.00048 -0.00027 -0.00089 -0.00117 2.02940 R5 2.04753 -0.00071 0.00148 -0.00224 -0.00076 2.04677 R6 2.04772 0.00014 -0.00030 0.00063 0.00033 2.04805 R7 2.03597 -0.00010 -0.00047 -0.00025 -0.00072 2.03525 R8 1.79066 0.00066 -0.00156 0.00160 0.00005 1.79071 R9 2.24759 0.00071 0.00002 0.00041 0.00043 2.24802 R10 2.60243 -0.00053 -0.00002 -0.00099 -0.00102 2.60141 R11 2.77629 -0.00073 0.00037 -0.00139 -0.00101 2.77528 R12 2.57978 -0.00032 -0.00009 -0.00041 -0.00051 2.57927 R13 1.88727 0.00004 -0.00001 0.00004 0.00004 1.88730 R14 2.26278 0.00072 -0.00083 0.00061 -0.00022 2.26256 R15 2.61015 0.00148 0.00177 0.00114 0.00289 2.61304 R16 2.64330 0.00245 -0.00049 0.00290 0.00241 2.64570 R17 2.53465 0.00190 -0.00099 0.00189 0.00091 2.53556 R18 2.87979 0.00170 -0.00035 0.00150 0.00115 2.88094 R19 3.27594 0.00004 -0.00078 -0.00018 -0.00097 3.27497 R20 2.04348 -0.00022 0.00041 -0.00077 -0.00036 2.04311 R21 2.02451 -0.00030 0.00160 -0.00123 0.00037 2.02489 R22 2.73409 0.00028 0.00248 -0.00238 0.00010 2.73420 R23 2.76236 -0.00019 -0.00071 -0.00065 -0.00136 2.76099 R24 2.63584 -0.00019 -0.00307 -0.00040 -0.00343 2.63240 R25 2.88159 0.00052 0.00252 -0.00017 0.00234 2.88393 R26 2.04215 0.00007 0.00040 0.00017 0.00056 2.04271 R27 2.05807 -0.00037 -0.00149 0.00007 -0.00142 2.05665 R28 2.88728 -0.00007 0.00076 0.00033 0.00107 2.88836 R29 2.05035 -0.00017 -0.00000 -0.00050 -0.00050 2.04985 R30 2.04583 0.00001 0.00011 -0.00009 0.00002 2.04586 R31 2.86104 0.00006 0.00031 -0.00023 0.00009 2.86114 R32 2.04209 0.00008 -0.00003 0.00040 0.00037 2.04246 R33 2.05307 -0.00017 -0.00046 -0.00061 -0.00107 2.05200 R34 2.37269 0.00078 0.00160 -0.00076 0.00084 2.37352 R35 1.89595 -0.00032 0.00037 -0.00049 -0.00012 1.89583 A1 1.92891 -0.00227 0.00433 -0.01039 -0.00607 1.92284 A2 1.98393 -0.00003 0.00257 0.00353 0.00612 1.99006 A3 1.89708 -0.00016 -0.00054 -0.00342 -0.00399 1.89309 A4 1.92913 0.00229 -0.00359 0.00557 0.00197 1.93110 A5 1.91686 0.00019 -0.00034 -0.00089 -0.00131 1.91555 A6 1.80327 0.00014 -0.00289 0.00646 0.00357 1.80683 A7 1.91549 -0.00160 0.00470 -0.00802 -0.00332 1.91218 A8 1.88950 0.00053 -0.00446 0.00483 0.00036 1.88986 A9 1.95961 0.00124 -0.00100 0.00409 0.00307 1.96268 A10 1.89744 0.00026 -0.00008 -0.00023 -0.00030 1.89714 A11 1.90952 -0.00005 0.00143 -0.00084 0.00059 1.91011 A12 1.89110 -0.00037 -0.00067 0.00023 -0.00046 1.89064 A13 1.92177 -0.00064 0.00515 -0.00930 -0.00415 1.91762 A14 2.11845 -0.00013 0.00025 -0.00029 -0.00003 2.11842 A15 2.20218 -0.00018 0.00010 -0.00047 -0.00036 2.20182 A16 1.96191 0.00031 -0.00034 0.00092 0.00054 1.96245 A17 2.22716 0.00021 0.00211 0.00024 0.00213 2.22929 A18 2.03856 -0.00026 -0.00049 0.00020 -0.00043 2.03813 A19 2.01136 0.00009 0.00034 0.00046 0.00066 2.01202 A20 2.11186 -0.00110 0.00043 -0.00270 -0.00224 2.10962 A21 2.02399 0.00073 -0.00102 0.00099 -0.00013 2.02387 A22 2.14730 0.00037 0.00057 0.00172 0.00231 2.14961 A23 1.98007 -0.00049 0.00083 0.00132 0.00219 1.98225 A24 2.17952 0.00153 0.00004 0.00006 0.00013 2.17965 A25 2.11642 -0.00101 -0.00075 -0.00119 -0.00201 2.11442 A26 2.09196 -0.00083 0.00197 -0.00122 0.00067 2.09263 A27 2.07964 0.00235 -0.00397 0.00240 -0.00161 2.07803 A28 2.11083 -0.00152 0.00250 -0.00118 0.00129 2.11212 A29 2.12740 0.00059 -0.00046 0.00071 0.00020 2.12760 A30 1.99488 -0.00144 0.00151 -0.00347 -0.00198 1.99289 A31 2.15977 0.00087 -0.00052 0.00253 0.00199 2.16176 A32 1.88708 -0.00087 0.00195 -0.00118 0.00075 1.88783 A33 1.90319 -0.00004 -0.00697 0.00345 -0.00352 1.89967 A34 1.94592 0.00213 0.00485 0.00264 0.00748 1.95340 A35 1.87755 0.00014 -0.00071 -0.00013 -0.00084 1.87670 A36 1.94002 -0.00044 -0.00001 -0.00152 -0.00156 1.93846 A37 1.90846 -0.00097 0.00057 -0.00321 -0.00263 1.90583 A38 2.09348 0.00105 -0.00023 0.00564 0.00539 2.09887 A39 2.10740 -0.00062 0.00013 -0.00020 -0.00013 2.10727 A40 1.92460 -0.00030 0.00227 0.00171 0.00390 1.92850 A41 1.78683 0.00020 0.00263 -0.00107 0.00147 1.78829 A42 1.93809 -0.00004 0.00135 -0.00143 -0.00005 1.93804 A43 1.93801 -0.00004 0.00140 -0.00058 0.00083 1.93884 A44 1.97870 -0.00026 -0.00687 0.00280 -0.00405 1.97465 A45 1.93901 0.00006 0.00191 -0.00058 0.00135 1.94036 A46 1.88325 0.00008 -0.00020 0.00072 0.00051 1.88376 A47 1.78035 -0.00006 0.00281 0.00223 0.00493 1.78528 A48 1.91273 0.00001 0.00038 -0.00069 -0.00029 1.91244 A49 1.96647 0.00006 -0.00224 0.00030 -0.00191 1.96456 A50 1.92789 -0.00001 0.00030 -0.00216 -0.00184 1.92605 A51 1.98434 0.00005 0.00021 0.00028 0.00054 1.98487 A52 1.89016 -0.00004 -0.00124 0.00001 -0.00125 1.88890 A53 1.81665 -0.00019 0.00077 0.00074 0.00140 1.81805 A54 2.00741 0.00014 -0.00612 0.00328 -0.00281 2.00460 A55 1.93879 -0.00012 0.00641 -0.00416 0.00225 1.94103 A56 1.93632 0.00011 -0.00371 0.00223 -0.00149 1.93484 A57 1.88172 0.00004 0.00330 -0.00242 0.00087 1.88260 A58 1.87961 0.00001 -0.00002 -0.00001 -0.00001 1.87961 A59 1.87427 0.00047 0.00233 -0.00058 0.00171 1.87599 A60 2.27284 0.00018 -0.00236 0.00194 -0.00042 2.27243 A61 2.13603 -0.00065 0.00009 -0.00144 -0.00135 2.13468 A62 1.99619 -0.00008 -0.00002 -0.00128 -0.00129 1.99490 D1 -3.12953 -0.00083 0.01652 -0.00680 0.00972 -3.11981 D2 1.08510 -0.00054 0.01653 -0.00479 0.01176 1.09686 D3 -1.00176 -0.00118 0.02096 -0.01076 0.01020 -0.99156 D4 -0.94866 0.00039 0.01711 -0.00496 0.01216 -0.93650 D5 -3.01721 0.00068 0.01713 -0.00295 0.01420 -3.00301 D6 1.17911 0.00003 0.02156 -0.00892 0.01264 1.19175 D7 1.04886 0.00044 0.01468 0.00285 0.01751 1.06637 D8 -1.01970 0.00073 0.01470 0.00486 0.01955 -1.00015 D9 -3.10656 0.00009 0.01913 -0.00111 0.01799 -3.08857 D10 -2.74636 0.00066 -0.02604 0.01378 -0.01228 -2.75865 D11 1.32513 0.00069 -0.02998 0.01277 -0.01718 1.30795 D12 -0.65342 -0.00086 -0.02424 0.00241 -0.02183 -0.67525 D13 1.75721 0.00027 0.01611 0.00827 0.02439 1.78160 D14 -1.51195 0.00045 0.01704 0.00994 0.02699 -1.48497 D15 -2.34522 -0.00096 0.02100 0.00156 0.02255 -2.32267 D16 0.66880 -0.00078 0.02194 0.00323 0.02515 0.69395 D17 -0.29544 0.00038 0.01727 0.00662 0.02389 -0.27154 D18 2.71858 0.00057 0.01820 0.00829 0.02650 2.74508 D19 -3.01882 -0.00029 -0.00971 -0.00364 -0.01336 -3.03218 D20 -0.00225 0.00009 0.00824 0.00549 0.01372 0.01147 D21 0.15917 -0.00019 -0.00990 -0.00793 -0.01785 0.14132 D22 -3.10744 0.00019 0.00805 0.00119 0.00923 -3.09822 D23 3.11140 -0.00000 -0.00857 0.00380 -0.00479 3.10661 D24 -0.07966 0.00042 0.00136 -0.00132 0.00005 -0.07961 D25 -0.06869 -0.00010 -0.00837 0.00835 -0.00003 -0.06871 D26 3.02344 0.00032 0.00157 0.00323 0.00481 3.02825 D27 3.05067 0.00010 0.01240 0.00798 0.02041 3.07108 D28 -0.08322 0.00050 0.02087 0.00531 0.02618 -0.05704 D29 0.03244 -0.00026 -0.00525 -0.00100 -0.00625 0.02619 D30 -3.10145 0.00015 0.00322 -0.00368 -0.00048 -3.10193 D31 2.92692 -0.00003 -0.01295 -0.00059 -0.01351 2.91341 D32 -0.09226 -0.00041 -0.01390 -0.00229 -0.01616 -0.10842 D33 -0.20680 0.00039 -0.00428 -0.00331 -0.00757 -0.21437 D34 3.05720 0.00001 -0.00524 -0.00500 -0.01022 3.04698 D35 -2.83229 -0.00025 -0.00353 0.00113 -0.00239 -2.83468 D36 0.35064 -0.00052 -0.01465 0.00131 -0.01331 0.33734 D37 0.17233 0.00000 -0.00242 0.00311 0.00070 0.17303 D38 -2.92793 -0.00027 -0.01353 0.00328 -0.01022 -2.93814 D39 -0.08485 0.00014 0.01408 -0.00651 0.00756 -0.07729 D40 3.11097 -0.00025 0.00311 -0.00072 0.00237 3.11334 D41 3.01465 0.00051 0.02518 -0.00660 0.01863 3.03328 D42 -0.07272 0.00012 0.01421 -0.00081 0.01343 -0.05928 D43 -2.73067 -0.00008 0.01660 -0.00253 0.01408 -2.71660 D44 -0.69413 -0.00041 0.01306 -0.00148 0.01159 -0.68254 D45 1.41486 -0.00030 0.01226 -0.00152 0.01072 1.42558 D46 0.45272 -0.00037 0.00539 -0.00235 0.00305 0.45577 D47 2.48927 -0.00070 0.00185 -0.00130 0.00056 2.48983 D48 -1.68493 -0.00059 0.00104 -0.00134 -0.00031 -1.68524 D49 1.14560 -0.00078 -0.02165 -0.01871 -0.04035 1.10525 D50 -2.62613 -0.00062 -0.01701 -0.00525 -0.02226 -2.64840 D51 -0.96134 -0.00082 -0.02740 -0.01797 -0.04536 -1.00670 D52 1.55011 -0.00067 -0.02276 -0.00450 -0.02727 1.52284 D53 -3.03168 -0.00011 -0.02688 -0.01484 -0.04172 -3.07340 D54 -0.52023 0.00004 -0.02225 -0.00138 -0.02363 -0.54386 D55 3.11316 -0.00017 -0.00760 0.01258 0.00501 3.11817 D56 -1.05287 -0.00037 -0.01349 0.01454 0.00107 -1.05180 D57 1.04255 -0.00033 -0.01191 0.01411 0.00223 1.04479 D58 0.54185 -0.00014 -0.01118 0.00122 -0.00998 0.53188 D59 2.65901 -0.00035 -0.01707 0.00319 -0.01392 2.64510 D60 -1.52875 -0.00030 -0.01550 0.00276 -0.01275 -1.54150 D61 -2.77173 -0.00060 0.00033 -0.01987 -0.01952 -2.79125 D62 0.37960 -0.00082 -0.00440 -0.01055 -0.01493 0.36467 D63 -0.20568 0.00000 0.00382 -0.00619 -0.00236 -0.20804 D64 2.94564 -0.00022 -0.00091 0.00312 0.00224 2.94788 D65 -0.64092 0.00008 0.01355 0.00411 0.01766 -0.62326 D66 1.40227 0.00004 0.01547 0.00249 0.01795 1.42022 D67 -2.77514 0.00003 0.01267 0.00222 0.01490 -2.76024 D68 -2.72993 0.00012 0.01371 0.00510 0.01882 -2.71111 D69 -0.68674 0.00008 0.01563 0.00348 0.01911 -0.66763 D70 1.41904 0.00007 0.01283 0.00321 0.01606 1.43510 D71 1.42897 0.00017 0.01751 0.00257 0.02007 1.44905 D72 -2.81101 0.00013 0.01943 0.00095 0.02036 -2.79065 D73 -0.70524 0.00012 0.01663 0.00068 0.01731 -0.68793 D74 0.52717 -0.00025 -0.01154 -0.00691 -0.01846 0.50871 D75 2.64924 -0.00017 -0.01926 -0.00170 -0.02096 2.62828 D76 -1.49344 -0.00014 -0.01874 -0.00256 -0.02131 -1.51475 D77 -1.50506 -0.00023 -0.01356 -0.00637 -0.01992 -1.52499 D78 0.61701 -0.00015 -0.02128 -0.00116 -0.02243 0.59458 D79 2.75751 -0.00012 -0.02075 -0.00202 -0.02277 2.73474 D80 2.64911 -0.00020 -0.01232 -0.00496 -0.01729 2.63182 D81 -1.51201 -0.00012 -0.02004 0.00025 -0.01979 -1.53180 D82 0.62849 -0.00009 -0.01952 -0.00061 -0.02014 0.60835 D83 -0.21694 0.00007 0.00472 0.00823 0.01297 -0.20397 D84 2.91585 0.00028 0.00896 -0.00016 0.00882 2.92468 D85 -2.38559 -0.00004 0.01379 0.00254 0.01632 -2.36926 D86 0.74721 0.00017 0.01802 -0.00586 0.01217 0.75938 D87 1.84338 -0.00014 0.01390 0.00275 0.01665 1.86003 D88 -1.30701 0.00006 0.01813 -0.00565 0.01250 -1.29451 D89 -0.02135 -0.00071 0.00577 -0.01209 -0.00633 -0.02768 D90 3.13123 -0.00097 0.00042 -0.00158 -0.00115 3.13008 Item Value Threshold Converged? Maximum Force 0.002701 0.000450 NO RMS Force 0.000699 0.000300 NO Maximum Displacement 0.095153 0.001800 NO RMS Displacement 0.024966 0.001200 NO Predicted change in Energy=-1.562136D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.740500 -5.005811 2.630854 2 6 0 6.456612 -5.325002 4.082614 3 8 0 7.142497 -6.155802 1.956062 4 8 0 3.332375 -2.345227 -0.701931 5 6 0 3.946122 -2.969912 0.103198 6 7 0 4.906938 -2.376344 0.890318 7 6 0 5.763333 -2.982874 1.763034 8 8 0 6.604295 -2.352604 2.336671 9 7 0 5.602846 -4.347430 1.918794 10 6 0 4.536441 -5.024714 1.315309 11 6 0 3.767207 -4.393859 0.414966 12 1 0 7.521500 -4.269789 2.590832 13 1 0 6.123939 -4.429200 4.592498 14 1 0 7.377364 -5.664811 4.542324 15 1 0 5.054596 -1.397404 0.758748 16 6 0 4.245200 -6.463516 1.726665 17 17 0 2.448621 -5.143908 -0.423004 18 1 0 5.715747 -6.098373 4.196484 19 1 0 7.630309 -5.919292 1.178854 20 1 0 3.725001 -6.948219 0.912181 21 1 0 5.174491 -6.978006 1.867669 22 7 0 3.474190 -6.530290 2.949174 23 6 0 2.122848 -5.977001 2.998431 24 6 0 1.689987 -6.291835 4.427597 25 6 0 2.347536 -7.649233 4.675119 26 6 0 3.583427 -7.627226 3.800802 27 1 0 2.128685 -4.918399 2.779809 28 1 0 1.473248 -6.465098 2.274379 29 1 0 2.096712 -5.546807 5.102988 30 1 0 0.613574 -6.301759 4.542935 31 1 0 2.608373 -7.846582 5.705264 32 1 0 1.712611 -8.461419 4.334032 33 7 0 4.498065 -8.481131 3.909697 34 1 0 5.255812 -8.359119 3.263635 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513302 0.000000 3 O 1.392633 2.383882 0.000000 4 O 5.459073 6.444517 6.008530 0.000000 5 C 4.282812 5.261631 4.878505 1.189601 0.000000 6 N 3.647672 4.613766 4.518610 2.239525 1.376607 7 C 2.408370 3.368480 3.465087 3.520256 2.461194 8 O 2.672939 3.450403 3.859901 4.465268 3.526380 9 N 1.494909 2.523229 2.375315 4.004005 2.817566 10 C 2.566884 3.381599 2.912293 3.563520 2.457620 11 C 3.758340 4.642368 4.107554 2.373484 1.468616 12 H 1.073914 2.114917 2.025740 5.665244 4.545473 13 H 2.135573 1.083104 3.312010 6.337724 5.198675 14 H 2.119809 1.083783 2.642913 7.408359 6.224286 15 H 4.400870 5.332895 5.332470 2.449081 2.032546 16 C 3.028033 3.425939 2.922608 4.867405 3.863983 17 Cl 5.269283 6.033025 5.358764 2.948124 2.691776 18 H 2.166796 1.077009 2.656766 6.615212 5.447369 19 H 1.932489 3.187879 0.947602 5.897756 4.840362 20 H 3.977439 4.488673 3.660176 4.893572 4.065744 21 H 2.631423 3.046677 2.134684 5.608822 4.548304 22 N 3.618583 3.410608 3.818768 5.555667 4.582422 23 C 4.732973 4.514651 5.129852 5.324041 4.555138 24 C 5.512697 4.875910 5.988060 6.677216 5.901334 25 C 5.519495 4.757901 5.710977 7.616762 6.734537 26 C 4.267048 3.692539 4.270261 6.945296 5.957717 27 H 4.615048 4.538015 5.229535 4.493618 3.776761 28 H 5.477274 5.422495 5.686595 5.411849 4.800569 29 H 5.288562 4.483201 5.977789 6.743445 5.921030 30 H 6.547882 5.941974 7.024247 7.110179 6.474438 31 H 5.881874 4.878555 6.121563 8.475920 7.546828 32 H 6.334170 5.692615 6.360367 8.086555 7.283212 33 N 4.329180 3.718462 4.027017 7.763715 6.720685 34 H 3.721475 3.364299 3.181812 7.456019 6.383353 6 7 8 9 10 6 N 0.000000 7 C 1.364889 0.000000 8 O 2.230139 1.197296 0.000000 9 N 2.329642 1.382763 2.270871 0.000000 10 C 2.707720 2.423805 3.529783 1.400045 0.000000 11 C 2.365441 2.791538 3.988576 2.373441 1.341759 12 H 3.648673 2.330783 2.140435 2.034428 3.332784 13 H 4.404707 3.198088 3.103506 2.725237 3.689818 14 H 5.500378 4.185969 4.053795 3.430352 4.346745 15 H 0.998718 2.006143 2.409111 3.216977 3.706160 16 C 4.224021 3.797489 4.778811 2.521495 1.524529 17 Cl 3.927791 4.520635 5.716363 4.008432 2.719362 18 H 5.043650 3.953515 4.275419 2.875138 3.293126 19 H 4.478000 3.528373 3.887738 2.669994 3.223494 20 H 4.722234 4.539021 5.607066 3.362093 2.126222 21 H 4.711910 4.039650 4.864015 2.665714 2.127807 22 N 4.852518 4.385347 5.256023 3.218344 2.462652 23 C 5.015977 4.872796 5.801513 3.991428 3.092763 24 C 6.179983 5.885684 6.636260 5.038380 4.403889 25 C 6.977007 6.474784 7.186280 5.394096 4.792466 26 C 6.147712 5.520371 6.252276 4.286848 3.722765 27 H 4.213183 4.241552 5.177911 3.624520 2.820169 28 H 5.515774 5.549071 6.576027 4.654517 3.518192 29 H 5.974596 5.583293 6.178491 4.885751 4.535567 30 H 6.869023 6.727769 7.506809 5.966436 5.238063 31 H 7.641375 7.010750 7.582784 5.962238 5.563460 32 H 7.687069 7.282365 8.076859 6.155664 5.375654 33 N 6.822921 6.036547 6.668543 4.719292 4.321938 34 H 6.445769 5.604765 6.225422 4.245312 3.928324 11 12 13 14 15 11 C 0.000000 12 H 4.341025 0.000000 13 H 4.796583 2.446478 0.000000 14 H 5.628822 2.403161 1.760774 0.000000 15 H 3.279375 4.206274 5.003291 6.158040 0.000000 16 C 2.496501 4.036504 3.985110 4.286761 5.220870 17 Cl 1.733042 5.965013 6.258915 7.015577 4.714227 18 H 4.582800 3.030277 1.763401 1.751728 5.861250 19 H 4.223036 2.174024 4.017772 3.382555 5.220944 20 H 2.602645 4.940168 5.064098 5.307055 5.709896 21 H 3.281557 3.655934 3.850007 3.705524 5.690976 22 N 3.327524 4.649623 3.759822 4.303713 5.800187 23 C 3.447397 5.676808 4.576621 5.485527 5.880819 24 C 4.900854 6.439637 4.812123 5.722987 6.981154 25 C 5.546335 6.521871 4.963533 5.408765 7.858213 26 C 4.685331 5.314586 4.160330 4.335307 7.087250 27 H 2.924446 5.434966 4.414432 5.586790 5.004303 28 H 3.606896 6.442117 5.580992 6.375156 6.387857 29 H 5.108561 6.113103 4.210487 5.311643 6.696196 30 H 5.534042 7.460499 5.820056 6.793715 7.622037 31 H 6.422729 6.828759 5.027519 5.371762 8.487869 32 H 6.010449 7.372360 5.982090 6.320904 8.593709 33 N 5.427071 5.349389 4.419030 4.077038 7.772863 34 H 5.104326 4.723200 4.238370 3.659962 7.401379 16 17 18 19 20 16 C 0.000000 17 Cl 3.096795 0.000000 18 H 2.897559 5.738012 0.000000 19 H 3.472065 5.478782 3.578227 0.000000 20 H 1.081169 2.582131 3.933441 4.047374 0.000000 21 H 1.071524 4.005180 2.547566 2.761590 1.736337 22 N 1.446874 3.787537 2.601329 4.558583 2.094495 23 C 2.521600 3.536437 3.789325 5.800545 2.804032 24 C 3.722046 5.041983 4.037027 6.780896 4.114641 25 C 3.701410 5.681349 3.738864 6.566906 4.067989 26 C 2.468645 5.029432 2.653440 5.115555 2.970728 27 H 2.824206 3.226643 4.033153 5.816589 3.186915 28 H 2.825546 3.157970 4.672020 6.277537 2.675701 29 H 4.105596 5.551824 3.771391 6.793988 4.709367 30 H 4.598506 5.419277 5.117965 7.790886 4.825066 31 H 4.518996 6.699674 3.871489 7.030126 5.002754 32 H 4.147769 5.846109 4.650592 7.171939 4.248359 33 N 2.983344 5.840340 2.691196 4.881750 3.454352 34 H 2.641386 5.639965 2.488518 3.992154 3.140598 21 22 23 24 25 21 H 0.000000 22 N 2.064250 0.000000 23 C 3.404873 1.461055 0.000000 24 C 4.377880 2.329372 1.526108 0.000000 25 C 4.040297 2.345265 2.378682 1.528453 0.000000 26 C 2.586498 1.393007 2.345279 2.400262 1.514048 27 H 3.788261 2.106481 1.080957 2.189518 3.331299 28 H 3.758682 2.112668 1.088333 2.171023 2.816044 29 H 4.689173 2.739270 2.148234 1.084733 2.160135 30 H 5.330697 3.282594 2.183774 1.082620 2.199951 31 H 4.697501 3.174632 3.325359 2.212036 1.080824 32 H 4.502008 2.958082 2.850344 2.171719 1.085871 33 N 2.624274 2.403477 3.569696 3.598130 2.429547 34 H 1.965402 2.572484 3.944653 4.282941 3.309728 26 27 28 29 30 26 C 0.000000 27 H 3.239822 0.000000 28 H 2.851905 1.754234 0.000000 29 H 2.869522 2.406881 3.038584 0.000000 30 H 3.335814 2.705154 2.431474 1.755936 0.000000 31 H 2.150772 4.166850 3.868846 2.431769 2.777896 32 H 2.116640 3.891236 2.878327 3.038716 2.432212 33 N 1.256015 4.425344 3.985996 3.975009 4.498880 34 H 1.902916 4.674566 4.344391 4.612183 5.236384 31 32 33 34 31 H 0.000000 32 H 1.749482 0.000000 33 N 2.682843 2.817658 0.000000 34 H 3.637744 3.702768 1.003228 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.360075 2.479468 -0.346523 2 6 0 0.835831 2.820592 0.515756 3 8 0 -0.004758 2.506561 -1.692793 4 8 0 -3.556259 -1.892271 0.341796 5 6 0 -2.746049 -1.025103 0.259765 6 7 0 -2.949852 0.203954 0.845368 7 6 0 -2.171920 1.320175 0.736760 8 8 0 -2.504026 2.352283 1.244672 9 7 0 -1.009710 1.178726 0.001034 10 6 0 -0.604815 -0.072240 -0.479874 11 6 0 -1.439410 -1.120095 -0.403940 12 1 0 -1.131351 3.203113 -0.160074 13 1 0 0.554258 2.775152 1.560632 14 1 0 1.145110 3.832888 0.282972 15 1 0 -3.803740 0.326512 1.348649 16 6 0 0.801454 -0.227585 -1.047732 17 17 0 -1.060563 -2.701652 -1.002763 18 1 0 1.670382 2.162757 0.340459 19 1 0 -0.777226 2.630997 -2.227358 20 1 0 0.797936 -1.064293 -1.732447 21 1 0 1.045777 0.650031 -1.611878 22 7 0 1.787546 -0.412833 -0.005258 23 6 0 1.734124 -1.590550 0.857765 24 6 0 2.949701 -1.393654 1.759214 25 6 0 3.960784 -0.755355 0.807135 26 6 0 3.106164 -0.004267 -0.191781 27 1 0 0.802114 -1.629530 1.403939 28 1 0 1.820230 -2.506416 0.276177 29 1 0 2.700309 -0.706588 2.560706 30 1 0 3.292945 -2.320082 2.201913 31 1 0 4.673445 -0.093403 1.278426 32 1 0 4.520934 -1.511015 0.264619 33 7 0 3.590123 0.831142 -0.995179 34 1 0 2.917317 1.250146 -1.610186 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4491461 0.2998925 0.2183810 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.8779314077 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.53D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999998 0.000684 0.000055 -0.001998 Ang= 0.24 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16344934 A.U. after 12 cycles NFock= 12 Conv=0.75D-08 -V/T= 2.0011 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 0.001048017 -0.000909995 -0.002119443 2 6 0.000655296 -0.001158241 -0.000462505 3 8 -0.000815120 0.001207275 0.002716984 4 8 -0.000500356 0.000294839 0.000143268 5 6 0.000515028 -0.000591353 -0.000202093 6 7 0.000561016 0.000203355 -0.000564191 7 6 -0.001186298 -0.000069757 0.000132440 8 8 0.000567439 0.000137246 0.000135240 9 7 0.000069670 0.001267519 -0.000119652 10 6 0.000085087 -0.000377876 0.000863632 11 6 -0.000443761 0.000206260 -0.000054206 12 1 -0.000127593 0.000147683 0.000393439 13 1 -0.000032587 -0.000094896 -0.000425146 14 1 -0.000069339 0.000142727 0.000071757 15 1 -0.000145615 0.000040815 0.000052500 16 6 -0.000217400 -0.000540906 -0.000032238 17 17 0.000040081 -0.000012781 -0.000284865 18 1 -0.000470022 0.000121391 0.000569090 19 1 0.000670649 0.000000604 -0.000514548 20 1 0.000001054 0.000047155 -0.000173390 21 1 -0.000183402 -0.000007028 -0.000191429 22 7 -0.000201324 -0.000047525 -0.000562527 23 6 0.000080829 -0.000569092 0.000182235 24 6 0.000208436 0.000152263 0.000245341 25 6 -0.000185369 -0.000358859 -0.000207222 26 6 0.000246418 0.001563968 0.000535515 27 1 0.000177952 0.000017896 0.000309761 28 1 -0.000022924 0.000326192 -0.000166823 29 1 -0.000296521 0.000089377 0.000086086 30 1 0.000004522 -0.000226472 -0.000131080 31 1 0.000146664 0.000019595 -0.000099302 32 1 -0.000196761 -0.000035813 0.000079609 33 7 0.000590580 -0.000362641 0.000147038 34 1 -0.000574346 -0.000622925 -0.000353275 ------------------------------------------------------------------- Cartesian Forces: Max 0.002716984 RMS 0.000560941 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002106305 RMS 0.000411626 Search for a local minimum. Step number 23 out of a maximum of 197 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 19 20 21 22 23 DE= -2.31D-04 DEPred=-1.56D-04 R= 1.48D+00 TightC=F SS= 1.41D+00 RLast= 1.64D-01 DXNew= 2.6785D+00 4.9306D-01 Trust test= 1.48D+00 RLast= 1.64D-01 DXMaxT set to 1.59D+00 ITU= 1 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 1 ITU= 0 1 0 Eigenvalues --- 0.00239 0.00302 0.00393 0.00441 0.00809 Eigenvalues --- 0.00879 0.01032 0.01192 0.01288 0.01471 Eigenvalues --- 0.01821 0.01967 0.02000 0.02342 0.02585 Eigenvalues --- 0.03115 0.03234 0.03525 0.03703 0.04075 Eigenvalues --- 0.04961 0.05367 0.05412 0.05472 0.05780 Eigenvalues --- 0.05860 0.05891 0.06187 0.06350 0.06620 Eigenvalues --- 0.06715 0.06874 0.07340 0.08268 0.08574 Eigenvalues --- 0.08940 0.09388 0.10134 0.10948 0.13994 Eigenvalues --- 0.15941 0.15997 0.16111 0.16413 0.16587 Eigenvalues --- 0.17692 0.20303 0.20799 0.21243 0.21665 Eigenvalues --- 0.22747 0.23205 0.24444 0.24878 0.25011 Eigenvalues --- 0.25251 0.25909 0.26352 0.27367 0.27927 Eigenvalues --- 0.28487 0.29139 0.29844 0.31710 0.32110 Eigenvalues --- 0.32511 0.33763 0.33816 0.33835 0.33843 Eigenvalues --- 0.33898 0.33909 0.33990 0.34048 0.34282 Eigenvalues --- 0.34447 0.35161 0.36066 0.36272 0.37391 Eigenvalues --- 0.38045 0.39386 0.39586 0.41048 0.46527 Eigenvalues --- 0.47664 0.48777 0.49565 0.51579 0.56118 Eigenvalues --- 0.56985 0.64384 0.76897 0.87781 0.92555 Eigenvalues --- 1.02092 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 RFO step: Lambda=-2.50492649D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.64983 -0.31902 0.00047 -0.33128 Iteration 1 RMS(Cart)= 0.03207547 RMS(Int)= 0.00030331 Iteration 2 RMS(Cart)= 0.00053051 RMS(Int)= 0.00005311 Iteration 3 RMS(Cart)= 0.00000014 RMS(Int)= 0.00005311 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85973 -0.00004 0.00078 -0.00038 0.00040 2.86012 R2 2.63169 -0.00211 0.00243 -0.00345 -0.00102 2.63067 R3 2.82497 0.00100 -0.00130 0.00037 -0.00093 2.82404 R4 2.02940 -0.00001 -0.00080 0.00025 -0.00055 2.02885 R5 2.04677 -0.00027 0.00049 -0.00071 -0.00022 2.04655 R6 2.04805 -0.00007 0.00008 -0.00034 -0.00026 2.04779 R7 2.03525 0.00030 -0.00077 0.00082 0.00006 2.03531 R8 1.79071 0.00077 -0.00081 0.00126 0.00045 1.79115 R9 2.24802 0.00032 0.00032 0.00002 0.00034 2.24836 R10 2.60141 -0.00008 -0.00062 0.00010 -0.00052 2.60089 R11 2.77528 -0.00016 -0.00044 0.00012 -0.00030 2.77498 R12 2.57927 0.00003 -0.00040 0.00025 -0.00017 2.57910 R13 1.88730 0.00001 0.00001 0.00001 0.00002 1.88732 R14 2.26256 0.00054 -0.00057 0.00042 -0.00014 2.26242 R15 2.61304 0.00023 0.00270 -0.00121 0.00148 2.61452 R16 2.64570 0.00103 0.00124 -0.00031 0.00092 2.64662 R17 2.53556 0.00060 0.00002 -0.00001 0.00003 2.53558 R18 2.88094 0.00051 0.00053 -0.00156 -0.00102 2.87992 R19 3.27497 0.00011 -0.00100 0.00028 -0.00072 3.27426 R20 2.04311 0.00011 0.00002 0.00009 0.00011 2.04322 R21 2.02489 -0.00018 0.00118 -0.00059 0.00059 2.02548 R22 2.73420 0.00007 0.00146 -0.00180 -0.00034 2.73385 R23 2.76099 -0.00009 -0.00125 -0.00004 -0.00129 2.75970 R24 2.63240 0.00004 -0.00383 0.00033 -0.00345 2.62895 R25 2.88393 0.00017 0.00285 -0.00076 0.00206 2.88598 R26 2.04271 -0.00004 0.00059 -0.00016 0.00043 2.04315 R27 2.05665 -0.00002 -0.00170 0.00075 -0.00095 2.05571 R28 2.88836 -0.00016 0.00109 -0.00034 0.00071 2.88907 R29 2.04985 0.00000 -0.00029 -0.00001 -0.00031 2.04954 R30 2.04586 -0.00002 0.00009 -0.00016 -0.00007 2.04579 R31 2.86114 0.00003 0.00023 -0.00004 0.00022 2.86136 R32 2.04246 -0.00006 0.00021 -0.00025 -0.00004 2.04242 R33 2.05200 0.00012 -0.00089 0.00035 -0.00054 2.05146 R34 2.37352 0.00066 0.00141 -0.00027 0.00114 2.37466 R35 1.89583 -0.00028 0.00014 -0.00042 -0.00028 1.89554 A1 1.92284 -0.00130 0.00030 -0.00560 -0.00530 1.91754 A2 1.99006 -0.00051 0.00520 -0.00187 0.00334 1.99340 A3 1.89309 0.00017 -0.00274 0.00027 -0.00247 1.89062 A4 1.93110 0.00161 -0.00182 0.00369 0.00185 1.93295 A5 1.91555 0.00020 -0.00123 0.00442 0.00317 1.91872 A6 1.80683 -0.00009 0.00006 -0.00027 -0.00021 1.80662 A7 1.91218 -0.00072 0.00116 -0.00304 -0.00188 1.91030 A8 1.88986 0.00013 -0.00232 0.00116 -0.00116 1.88870 A9 1.96268 0.00087 0.00102 0.00294 0.00396 1.96664 A10 1.89714 0.00013 -0.00039 -0.00004 -0.00043 1.89671 A11 1.91011 -0.00026 0.00119 -0.00207 -0.00088 1.90923 A12 1.89064 -0.00017 -0.00075 0.00105 0.00030 1.89094 A13 1.91762 0.00035 0.00062 0.00041 0.00103 1.91865 A14 2.11842 -0.00009 0.00007 -0.00042 -0.00033 2.11809 A15 2.20182 -0.00005 -0.00017 -0.00013 -0.00029 2.20154 A16 1.96245 0.00013 0.00024 0.00029 0.00048 1.96293 A17 2.22929 -0.00011 0.00252 -0.00049 0.00164 2.23093 A18 2.03813 -0.00001 -0.00050 0.00055 -0.00023 2.03791 A19 2.01202 0.00013 0.00059 0.00037 0.00068 2.01270 A20 2.10962 -0.00005 -0.00090 0.00096 0.00008 2.10971 A21 2.02387 0.00038 -0.00068 0.00035 -0.00045 2.02342 A22 2.14961 -0.00034 0.00153 -0.00130 0.00026 2.14987 A23 1.98225 -0.00038 0.00139 0.00109 0.00251 1.98477 A24 2.17965 0.00067 0.00031 -0.00139 -0.00105 2.17860 A25 2.11442 -0.00027 -0.00149 0.00092 -0.00067 2.11375 A26 2.09263 -0.00042 0.00148 -0.00035 0.00101 2.09364 A27 2.07803 0.00176 -0.00315 0.00269 -0.00048 2.07754 A28 2.11212 -0.00134 0.00220 -0.00253 -0.00036 2.11176 A29 2.12760 0.00029 -0.00013 0.00021 0.00000 2.12760 A30 1.99289 -0.00032 -0.00037 0.00026 -0.00013 1.99277 A31 2.16176 0.00004 0.00096 -0.00061 0.00034 2.16210 A32 1.88783 -0.00058 0.00158 -0.00273 -0.00118 1.88665 A33 1.89967 0.00019 -0.00617 0.00206 -0.00411 1.89556 A34 1.95340 0.00048 0.00757 -0.00312 0.00443 1.95784 A35 1.87670 -0.00001 -0.00102 0.00075 -0.00027 1.87643 A36 1.93846 0.00030 -0.00102 0.00205 0.00100 1.93946 A37 1.90583 -0.00041 -0.00134 0.00113 -0.00018 1.90565 A38 2.09887 0.00080 0.00293 0.00195 0.00484 2.10371 A39 2.10727 -0.00042 -0.00014 0.00028 0.00004 2.10732 A40 1.92850 -0.00030 0.00368 0.00047 0.00403 1.93253 A41 1.78829 0.00024 0.00244 0.00031 0.00260 1.79089 A42 1.93804 -0.00012 0.00072 -0.00210 -0.00132 1.93673 A43 1.93884 -0.00002 0.00132 0.00042 0.00175 1.94059 A44 1.97465 -0.00017 -0.00638 0.00173 -0.00461 1.97004 A45 1.94036 0.00004 0.00189 0.00011 0.00202 1.94237 A46 1.88376 0.00003 0.00018 -0.00045 -0.00029 1.88347 A47 1.78528 -0.00015 0.00455 -0.00076 0.00360 1.78889 A48 1.91244 0.00007 0.00013 0.00095 0.00111 1.91355 A49 1.96456 0.00005 -0.00251 -0.00023 -0.00269 1.96188 A50 1.92605 0.00013 -0.00081 0.00160 0.00082 1.92687 A51 1.98487 -0.00005 0.00036 -0.00174 -0.00131 1.98356 A52 1.88890 -0.00005 -0.00147 0.00028 -0.00123 1.88767 A53 1.81805 -0.00001 0.00122 0.00078 0.00186 1.81991 A54 2.00460 0.00011 -0.00527 0.00221 -0.00302 2.00159 A55 1.94103 -0.00012 0.00512 -0.00252 0.00260 1.94363 A56 1.93484 -0.00007 -0.00308 0.00038 -0.00268 1.93215 A57 1.88260 0.00009 0.00251 -0.00064 0.00186 1.88446 A58 1.87961 0.00001 -0.00000 -0.00035 -0.00034 1.87927 A59 1.87599 0.00020 0.00238 -0.00115 0.00119 1.87717 A60 2.27243 0.00034 -0.00169 0.00249 0.00079 2.27322 A61 2.13468 -0.00054 -0.00068 -0.00121 -0.00189 2.13279 A62 1.99490 0.00019 -0.00083 0.00088 0.00006 1.99496 D1 -3.11981 -0.00039 0.01396 -0.00293 0.01104 -3.10877 D2 1.09686 -0.00021 0.01512 -0.00183 0.01329 1.11015 D3 -0.99156 -0.00063 0.01698 -0.00573 0.01125 -0.98031 D4 -0.93650 0.00033 0.01570 -0.00392 0.01179 -0.92471 D5 -3.00301 0.00050 0.01686 -0.00282 0.01404 -2.98897 D6 1.19175 0.00009 0.01872 -0.00672 0.01200 1.20375 D7 1.06637 0.00004 0.01700 -0.00515 0.01185 1.07822 D8 -1.00015 0.00022 0.01816 -0.00405 0.01410 -0.98605 D9 -3.08857 -0.00020 0.02002 -0.00795 0.01206 -3.07651 D10 -2.75865 0.00018 -0.00716 0.00148 -0.00568 -2.76433 D11 1.30795 0.00061 -0.01281 0.00536 -0.00744 1.30051 D12 -0.67525 -0.00029 -0.01114 0.00111 -0.01003 -0.68528 D13 1.78160 0.00014 0.02225 -0.00100 0.02125 1.80285 D14 -1.48497 0.00036 0.02396 0.00471 0.02868 -1.45629 D15 -2.32267 -0.00070 0.02517 -0.00695 0.01822 -2.30445 D16 0.69395 -0.00047 0.02689 -0.00124 0.02564 0.71959 D17 -0.27154 0.00024 0.02289 -0.00022 0.02267 -0.24887 D18 2.74508 0.00047 0.02460 0.00550 0.03010 2.77518 D19 -3.03218 -0.00032 -0.01359 -0.01152 -0.02513 -3.05731 D20 0.01147 -0.00007 0.01374 -0.00593 0.00780 0.01927 D21 0.14132 -0.00012 -0.01771 -0.00322 -0.02096 0.12036 D22 -3.09822 0.00013 0.00962 0.00237 0.01198 -3.08624 D23 3.10661 0.00015 -0.00791 0.01167 0.00374 3.11035 D24 -0.07961 0.00040 0.00095 0.00828 0.00922 -0.07039 D25 -0.06871 -0.00006 -0.00354 0.00289 -0.00068 -0.06939 D26 3.02825 0.00019 0.00532 -0.00050 0.00481 3.03306 D27 3.07108 0.00008 0.02034 -0.00007 0.02032 3.09141 D28 -0.05704 0.00022 0.02787 -0.00058 0.02730 -0.02974 D29 0.02619 -0.00016 -0.00656 -0.00560 -0.01217 0.01402 D30 -3.10193 -0.00002 0.00096 -0.00611 -0.00519 -3.10713 D31 2.91341 0.00019 -0.01477 0.01020 -0.00452 2.90889 D32 -0.10842 -0.00011 -0.01655 0.00491 -0.01159 -0.12002 D33 -0.21437 0.00033 -0.00705 0.00966 0.00264 -0.21174 D34 3.04698 0.00004 -0.00883 0.00437 -0.00444 3.04254 D35 -2.83468 -0.00035 -0.00414 -0.01133 -0.01545 -2.85013 D36 0.33734 -0.00040 -0.01808 -0.00429 -0.02234 0.31500 D37 0.17303 -0.00010 -0.00210 -0.00522 -0.00730 0.16573 D38 -2.93814 -0.00016 -0.01604 0.00182 -0.01419 -2.95233 D39 -0.07729 0.00015 0.01247 0.00106 0.01351 -0.06377 D40 3.11334 -0.00012 0.00278 0.00476 0.00750 3.12084 D41 3.03328 0.00026 0.02650 -0.00602 0.02054 3.05382 D42 -0.05928 -0.00000 0.01682 -0.00232 0.01452 -0.04476 D43 -2.71660 -0.00018 0.01497 -0.00673 0.00825 -2.70835 D44 -0.68254 -0.00040 0.01129 -0.00621 0.00509 -0.67745 D45 1.42558 -0.00048 0.01035 -0.00540 0.00492 1.43050 D46 0.45577 -0.00025 0.00089 0.00035 0.00126 0.45703 D47 2.48983 -0.00047 -0.00278 0.00087 -0.00190 2.48793 D48 -1.68524 -0.00055 -0.00373 0.00168 -0.00207 -1.68731 D49 1.10525 -0.00047 -0.03515 -0.00879 -0.04393 1.06132 D50 -2.64840 -0.00043 -0.02209 -0.00358 -0.02568 -2.67408 D51 -1.00670 -0.00028 -0.04163 -0.00457 -0.04620 -1.05291 D52 1.52284 -0.00024 -0.02857 0.00063 -0.02796 1.49488 D53 -3.07340 -0.00020 -0.03892 -0.00745 -0.04636 -3.11976 D54 -0.54386 -0.00016 -0.02586 -0.00224 -0.02811 -0.57197 D55 3.11817 -0.00009 -0.00216 0.00378 0.00166 3.11983 D56 -1.05180 -0.00020 -0.00790 0.00498 -0.00290 -1.05470 D57 1.04479 -0.00026 -0.00632 0.00329 -0.00298 1.04181 D58 0.53188 -0.00004 -0.01275 -0.00081 -0.01360 0.51828 D59 2.64510 -0.00015 -0.01850 0.00038 -0.01816 2.62694 D60 -1.54150 -0.00021 -0.01691 -0.00130 -0.01824 -1.55974 D61 -2.79125 -0.00031 -0.01053 -0.00310 -0.01360 -2.80484 D62 0.36467 -0.00072 -0.01086 -0.01403 -0.02487 0.33980 D63 -0.20804 0.00009 0.00129 0.00214 0.00346 -0.20458 D64 2.94788 -0.00032 0.00096 -0.00880 -0.00782 2.94006 D65 -0.62326 -0.00008 0.01841 -0.00037 0.01804 -0.60522 D66 1.42022 0.00003 0.01985 0.00147 0.02131 1.44153 D67 -2.76024 0.00005 0.01641 0.00233 0.01875 -2.74148 D68 -2.71111 -0.00000 0.01921 0.00108 0.02031 -2.69080 D69 -0.66763 0.00010 0.02065 0.00293 0.02358 -0.64405 D70 1.43510 0.00013 0.01721 0.00378 0.02102 1.45612 D71 1.44905 0.00005 0.02217 0.00034 0.02250 1.47155 D72 -2.79065 0.00016 0.02361 0.00218 0.02577 -2.76488 D73 -0.68793 0.00018 0.02017 0.00304 0.02321 -0.66471 D74 0.50871 -0.00000 -0.01746 0.00176 -0.01572 0.49300 D75 2.62828 -0.00003 -0.02355 0.00406 -0.01950 2.60878 D76 -1.51475 -0.00004 -0.02341 0.00326 -0.02016 -1.53491 D77 -1.52499 -0.00007 -0.01964 0.00039 -0.01924 -1.54423 D78 0.59458 -0.00010 -0.02573 0.00268 -0.02303 0.57155 D79 2.73474 -0.00010 -0.02559 0.00189 -0.02369 2.71105 D80 2.63182 -0.00006 -0.01737 0.00007 -0.01732 2.61450 D81 -1.53180 -0.00009 -0.02346 0.00236 -0.02111 -1.55291 D82 0.60835 -0.00010 -0.02332 0.00157 -0.02177 0.58658 D83 -0.20397 -0.00009 0.01003 -0.00239 0.00766 -0.19631 D84 2.92468 0.00029 0.01031 0.00752 0.01786 2.94254 D85 -2.36926 -0.00018 0.01740 -0.00577 0.01164 -2.35762 D86 0.75938 0.00020 0.01768 0.00415 0.02184 0.78122 D87 1.86003 -0.00020 0.01762 -0.00518 0.01245 1.87248 D88 -1.29451 0.00018 0.01791 0.00473 0.02264 -1.27186 D89 -0.02768 -0.00051 0.00015 -0.00382 -0.00368 -0.03135 D90 3.13008 -0.00099 -0.00025 -0.01616 -0.01641 3.11367 Item Value Threshold Converged? Maximum Force 0.002106 0.000450 NO RMS Force 0.000412 0.000300 NO Maximum Displacement 0.125581 0.001800 NO RMS Displacement 0.032175 0.001200 NO Predicted change in Energy=-1.261008D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.729738 -4.992338 2.645703 2 6 0 6.424974 -5.323650 4.090719 3 8 0 7.153382 -6.137450 1.976997 4 8 0 3.330598 -2.362377 -0.726466 5 6 0 3.948959 -2.980730 0.080287 6 7 0 4.918367 -2.382050 0.852374 7 6 0 5.762910 -2.976325 1.744713 8 8 0 6.599687 -2.339230 2.316769 9 7 0 5.601052 -4.339736 1.915319 10 6 0 4.535216 -5.022504 1.315893 11 6 0 3.763377 -4.398988 0.412653 12 1 0 7.504351 -4.249206 2.625916 13 1 0 6.064629 -4.436102 4.595961 14 1 0 7.344590 -5.644175 4.565963 15 1 0 5.063374 -1.403724 0.713412 16 6 0 4.253416 -6.462203 1.728680 17 17 0 2.439492 -5.153724 -0.411862 18 1 0 5.698511 -6.112370 4.191643 19 1 0 7.648788 -5.896538 1.205678 20 1 0 3.739839 -6.951217 0.912498 21 1 0 5.188462 -6.966776 1.869865 22 7 0 3.482498 -6.539028 2.950443 23 6 0 2.147374 -5.951834 3.023447 24 6 0 1.711325 -6.291087 4.447209 25 6 0 2.352567 -7.660596 4.672092 26 6 0 3.578156 -7.649479 3.782990 27 1 0 2.182146 -4.887428 2.836907 28 1 0 1.480663 -6.398644 2.289119 29 1 0 2.122822 -5.562966 5.137720 30 1 0 0.634623 -6.291928 4.559900 31 1 0 2.625856 -7.868180 5.696959 32 1 0 1.701982 -8.461893 4.335699 33 7 0 4.470533 -8.530703 3.861695 34 1 0 5.216742 -8.422821 3.200105 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513512 0.000000 3 O 1.392093 2.379216 0.000000 4 O 5.462817 6.445896 6.014447 0.000000 5 C 4.284934 5.263410 4.881672 1.189782 0.000000 6 N 3.648382 4.627067 4.512548 2.239227 1.376331 7 C 2.410571 3.384082 3.461226 3.521335 2.461859 8 O 2.676582 3.476232 3.853375 4.466403 3.527000 9 N 1.494417 2.525728 2.375986 4.005489 2.818448 10 C 2.566170 3.370687 2.921465 3.563511 2.457491 11 C 3.760037 4.633279 4.118442 2.373325 1.468456 12 H 1.073621 2.113086 2.027250 5.676162 4.553029 13 H 2.134309 1.082987 3.307407 6.332732 5.194756 14 H 2.119041 1.083645 2.642467 7.408923 6.224592 15 H 4.403257 5.350325 5.326626 2.448424 2.032170 16 C 3.022185 3.404584 2.928640 4.867022 3.864007 17 Cl 5.270764 6.015494 5.375418 2.946976 2.691209 18 H 2.169754 1.077039 2.649894 6.622481 5.456313 19 H 1.932848 3.185809 0.947838 5.905103 4.843261 20 H 3.972493 4.467663 3.667104 4.889902 4.062152 21 H 2.622186 3.026717 2.135456 5.602953 4.541753 22 N 3.609665 3.381647 3.818933 5.566610 4.595310 23 C 4.696954 4.453262 5.117580 5.324102 4.553610 24 C 5.487864 4.825092 5.978423 6.695052 5.919078 25 C 5.512302 4.731153 5.712385 7.627063 6.747910 26 C 4.276247 3.688976 4.281365 6.953411 5.970320 27 H 4.552818 4.445663 5.197614 4.515800 3.788942 28 H 5.445882 5.370994 5.687300 5.367258 4.759576 29 H 5.268723 4.434185 5.968814 6.789048 5.964927 30 H 6.519471 5.889470 7.013521 7.117255 6.481959 31 H 5.867067 4.846435 6.109995 8.489459 7.562062 32 H 6.338157 5.675847 6.378423 8.092095 7.293874 33 N 4.370660 3.762643 4.059240 7.771675 6.735970 34 H 3.790083 3.443526 3.235659 7.463544 6.399758 6 7 8 9 10 6 N 0.000000 7 C 1.364801 0.000000 8 O 2.230049 1.197219 0.000000 9 N 2.329902 1.383544 2.271663 0.000000 10 C 2.708071 2.424452 3.530403 1.400532 0.000000 11 C 2.365459 2.792219 3.989100 2.374567 1.341772 12 H 3.649525 2.330100 2.135883 2.033640 3.336152 13 H 4.421255 3.217391 3.142910 2.722138 3.666309 14 H 5.506247 4.192683 4.066500 3.430365 4.340738 15 H 0.998729 2.006491 2.409602 3.217739 3.706414 16 C 4.225839 3.798707 4.780140 2.521076 1.523987 17 Cl 3.927505 4.520729 5.716120 4.009216 2.719268 18 H 5.067013 3.978240 4.308579 2.886760 3.288008 19 H 4.464487 3.517776 3.871637 2.668416 3.235802 20 H 4.719092 4.537088 5.605456 3.360000 2.124921 21 H 4.704035 4.033529 4.858545 2.659631 2.124573 22 N 4.872790 4.398513 5.268464 3.224383 2.465728 23 C 5.013513 4.853958 5.776971 3.969219 3.079153 24 C 6.203913 5.891220 6.637171 5.034702 4.403272 25 C 7.002615 6.491716 7.204340 5.401904 4.794534 26 C 6.174988 5.546719 6.283168 4.305195 3.728744 27 H 4.207398 4.203221 5.126258 3.583045 2.805114 28 H 5.478601 5.508746 6.533300 4.621303 3.488728 29 H 6.024740 5.608337 6.196173 4.896759 4.551714 30 H 6.883557 6.724420 7.499163 5.955693 5.229688 31 H 7.669631 7.027916 7.601731 5.966785 5.562128 32 H 7.709940 7.300398 8.096333 6.168726 5.382921 33 N 6.860212 6.083007 6.727142 4.757170 4.335061 34 H 6.487818 5.663990 6.301023 4.297669 3.946757 11 12 13 14 15 11 C 0.000000 12 H 4.349237 0.000000 13 H 4.774643 2.447204 0.000000 14 H 5.623661 2.394837 1.760295 0.000000 15 H 3.279033 4.208659 5.027129 6.166646 0.000000 16 C 2.495781 4.033729 3.950554 4.274892 5.222548 17 Cl 1.732663 5.974868 6.223737 7.005660 4.713120 18 H 4.578339 3.030501 1.762779 1.751827 5.888364 19 H 4.238864 2.179826 4.017020 3.383451 5.206926 20 H 2.600822 4.940468 5.029747 5.296262 5.706669 21 H 3.278395 3.649677 3.821463 3.696905 5.683360 22 N 3.331523 4.639386 3.714489 4.280936 5.820208 23 C 3.440791 5.635084 4.484989 5.430014 5.875765 24 C 4.905976 6.406680 4.734380 5.671532 7.004555 25 C 5.547188 6.508863 4.917577 5.384933 7.884673 26 C 4.686062 5.321248 4.143580 4.338238 7.116013 27 H 2.935281 5.364486 4.286215 5.496646 4.994687 28 H 3.567987 6.404556 5.494164 6.335525 6.345699 29 H 5.135419 6.082433 4.135356 5.253604 6.746899 30 H 5.529194 7.423353 5.738498 6.741162 7.635695 31 H 6.422861 6.806467 4.981618 5.337771 8.518593 32 H 6.012225 7.371403 5.942005 6.311227 8.616129 33 N 5.428355 5.390957 4.454890 4.133792 7.813897 34 H 5.106212 4.793945 4.308277 3.756883 7.448147 16 17 18 19 20 16 C 0.000000 17 Cl 3.095861 0.000000 18 H 2.876955 5.721229 0.000000 19 H 3.481675 5.504995 3.572975 0.000000 20 H 1.081226 2.583759 3.910608 4.059333 0.000000 21 H 1.071839 4.006279 2.526027 2.764011 1.736462 22 N 1.446693 3.783123 2.575525 4.562342 2.095076 23 C 2.524343 3.538878 3.741794 5.794212 2.826804 24 C 3.725844 5.043252 3.999364 6.776184 4.128538 25 C 3.703113 5.669087 3.717953 6.570988 4.069679 26 C 2.466940 5.012198 2.650586 5.126927 2.958621 27 H 2.828116 3.269807 3.962400 5.793391 3.223195 28 H 2.829539 3.124816 4.635924 6.282652 2.702647 29 H 4.119419 5.573654 3.739313 6.790326 4.732282 30 H 4.597875 5.410311 5.080434 7.784963 4.835346 31 H 4.513642 6.687353 3.845784 7.020600 4.997284 32 H 4.159943 5.833287 4.638239 7.193232 4.260670 33 N 2.979193 5.813124 2.732239 4.908620 3.424391 34 H 2.633840 5.607711 2.559967 4.034190 3.095159 21 22 23 24 25 21 H 0.000000 22 N 2.064202 0.000000 23 C 3.407209 1.460371 0.000000 24 C 4.380610 2.332132 1.527197 0.000000 25 C 4.046747 2.344938 2.383276 1.528830 0.000000 26 C 2.592145 1.391181 2.346495 2.402389 1.514164 27 H 3.781110 2.105134 1.081187 2.187465 3.329776 28 H 3.774430 2.112913 1.087833 2.173046 2.833955 29 H 4.695498 2.754196 2.149877 1.084571 2.160936 30 H 5.331899 3.280518 2.182835 1.082583 2.199357 31 H 4.693200 3.169200 3.324003 2.210309 1.080801 32 H 4.524517 2.964217 2.867190 2.173689 1.085587 33 N 2.632238 2.402783 3.570756 3.601658 2.428911 34 H 1.972411 2.572666 3.944364 4.288066 3.309264 26 27 28 29 30 26 C 0.000000 27 H 3.236177 0.000000 28 H 2.862816 1.753831 0.000000 29 H 2.882156 2.398668 3.037310 0.000000 30 H 3.333304 2.708533 2.425617 1.754992 0.000000 31 H 2.148949 4.154715 3.883861 2.424831 2.782532 32 H 2.117908 3.905603 2.914528 3.037124 2.428635 33 N 1.256618 4.422710 3.994747 3.993427 4.495977 34 H 1.903360 4.673295 4.345743 4.637398 5.233121 31 32 33 34 31 H 0.000000 32 H 1.749020 0.000000 33 N 2.685138 2.809678 0.000000 34 H 3.640686 3.693865 1.003079 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.360334 2.477224 -0.331048 2 6 0 0.844775 2.800550 0.525627 3 8 0 -0.009237 2.521373 -1.677415 4 8 0 -3.556838 -1.904173 0.323244 5 6 0 -2.752154 -1.031564 0.241899 6 7 0 -2.972523 0.201378 0.812495 7 6 0 -2.189720 1.315955 0.725197 8 8 0 -2.528120 2.345780 1.233408 9 7 0 -1.018273 1.177475 0.002196 10 6 0 -0.605547 -0.073187 -0.474240 11 6 0 -1.434985 -1.125301 -0.400475 12 1 0 -1.123780 3.204211 -0.127813 13 1 0 0.572597 2.731868 1.571601 14 1 0 1.148674 3.818604 0.312324 15 1 0 -3.830309 0.319799 1.310130 16 6 0 0.800528 -0.220706 -1.043211 17 17 0 -1.041382 -2.708332 -0.984607 18 1 0 1.680105 2.149423 0.330000 19 1 0 -0.782962 2.652559 -2.208958 20 1 0 0.798805 -1.055201 -1.730717 21 1 0 1.035857 0.660492 -1.606193 22 7 0 1.792994 -0.401557 -0.006280 23 6 0 1.724671 -1.549345 0.894052 24 6 0 2.955246 -1.354094 1.777168 25 6 0 3.965992 -0.743921 0.805879 26 6 0 3.113369 -0.013778 -0.210299 27 1 0 0.800258 -1.546703 1.454783 28 1 0 1.778817 -2.485434 0.342520 29 1 0 2.725431 -0.653951 2.572956 30 1 0 3.290450 -2.279359 2.228287 31 1 0 4.679173 -0.070935 1.260406 32 1 0 4.525697 -1.513040 0.282731 33 7 0 3.605050 0.784399 -1.047110 34 1 0 2.936473 1.182614 -1.680038 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4509862 0.2987030 0.2180760 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.6259821891 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.52D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999998 0.001729 0.000809 -0.000994 Ang= 0.25 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16357696 A.U. after 12 cycles NFock= 12 Conv=0.86D-08 -V/T= 2.0011 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 0.000839375 -0.001371815 -0.001124117 2 6 0.000418795 -0.000387468 -0.000086176 3 8 -0.000513221 0.001270390 0.001574210 4 8 0.000054060 0.000025331 -0.000015977 5 6 -0.000664935 -0.000160671 0.000434471 6 7 0.000317195 0.000382941 -0.000027046 7 6 -0.000167482 -0.000632064 -0.000677417 8 8 0.000257423 0.000201209 0.000316051 9 7 -0.000527401 0.001026029 -0.000132763 10 6 0.000267565 -0.000111004 0.000856694 11 6 0.000157812 0.000146478 -0.000376976 12 1 0.000029188 0.000155302 0.000008759 13 1 -0.000063287 -0.000024563 -0.000048714 14 1 -0.000026368 0.000063793 0.000062175 15 1 -0.000012269 0.000001515 -0.000016566 16 6 -0.000212674 -0.000696343 -0.000152482 17 17 0.000063850 -0.000132713 -0.000357264 18 1 -0.000281814 0.000039063 0.000169908 19 1 0.000570255 -0.000001984 -0.000335670 20 1 -0.000072540 0.000050727 -0.000167298 21 1 -0.000294895 -0.000151700 0.000012748 22 7 0.000078568 0.000712515 -0.000280254 23 6 -0.000226107 -0.000226603 0.000419460 24 6 0.000275344 -0.000007228 -0.000039115 25 6 0.000193611 0.000283664 0.000264763 26 6 -0.000263045 -0.000173375 -0.000151823 27 1 0.000068134 -0.000061866 0.000048138 28 1 -0.000042014 0.000060880 -0.000089433 29 1 -0.000104796 0.000093777 0.000056154 30 1 -0.000011308 -0.000163576 -0.000038708 31 1 -0.000039222 -0.000124972 0.000042086 32 1 -0.000045865 -0.000039611 -0.000137261 33 7 0.000213236 0.000135327 0.000093423 34 1 -0.000235167 -0.000181385 -0.000103976 ------------------------------------------------------------------- Cartesian Forces: Max 0.001574210 RMS 0.000394564 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001620955 RMS 0.000299975 Search for a local minimum. Step number 24 out of a maximum of 197 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 20 21 22 23 24 DE= -1.28D-04 DEPred=-1.26D-04 R= 1.01D+00 TightC=F SS= 1.41D+00 RLast= 1.75D-01 DXNew= 2.6785D+00 5.2446D-01 Trust test= 1.01D+00 RLast= 1.75D-01 DXMaxT set to 1.59D+00 ITU= 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 0 ITU= 1 0 1 0 Eigenvalues --- 0.00235 0.00311 0.00368 0.00451 0.00792 Eigenvalues --- 0.00860 0.01053 0.01191 0.01262 0.01473 Eigenvalues --- 0.01873 0.01969 0.02054 0.02343 0.02592 Eigenvalues --- 0.03060 0.03232 0.03631 0.03819 0.04160 Eigenvalues --- 0.04988 0.05357 0.05411 0.05444 0.05783 Eigenvalues --- 0.05868 0.05928 0.06179 0.06315 0.06639 Eigenvalues --- 0.06733 0.06880 0.07324 0.08270 0.08582 Eigenvalues --- 0.08933 0.09400 0.10188 0.10965 0.13997 Eigenvalues --- 0.15968 0.16002 0.16105 0.16432 0.16587 Eigenvalues --- 0.17795 0.20171 0.20895 0.21394 0.21680 Eigenvalues --- 0.22732 0.23087 0.24421 0.24873 0.24995 Eigenvalues --- 0.25308 0.25573 0.26342 0.27298 0.27970 Eigenvalues --- 0.28485 0.29191 0.29540 0.31743 0.32113 Eigenvalues --- 0.32576 0.33757 0.33813 0.33835 0.33848 Eigenvalues --- 0.33889 0.33905 0.34007 0.34064 0.34293 Eigenvalues --- 0.34457 0.35220 0.36116 0.36258 0.37440 Eigenvalues --- 0.37878 0.39173 0.39576 0.40901 0.45618 Eigenvalues --- 0.47459 0.48776 0.49443 0.51437 0.55791 Eigenvalues --- 0.56966 0.64067 0.76737 0.87376 0.91725 Eigenvalues --- 1.00750 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 RFO step: Lambda=-7.04211352D-05. DidBck=F Rises=F RFO-DIIS coefs: 0.99840 0.39520 -0.62618 0.17981 0.05277 Iteration 1 RMS(Cart)= 0.01256827 RMS(Int)= 0.00004253 Iteration 2 RMS(Cart)= 0.00007073 RMS(Int)= 0.00001436 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001436 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86012 0.00015 -0.00013 0.00071 0.00058 2.86071 R2 2.63067 -0.00162 0.00015 -0.00232 -0.00217 2.62850 R3 2.82404 0.00095 -0.00030 0.00124 0.00094 2.82498 R4 2.02885 0.00013 -0.00031 0.00040 0.00009 2.02894 R5 2.04655 -0.00002 -0.00034 0.00053 0.00019 2.04674 R6 2.04779 -0.00001 0.00020 -0.00032 -0.00012 2.04767 R7 2.03531 0.00018 -0.00025 0.00044 0.00018 2.03549 R8 1.79115 0.00057 0.00026 0.00045 0.00071 1.79187 R9 2.24836 -0.00000 0.00019 -0.00002 0.00017 2.24853 R10 2.60089 0.00008 -0.00034 0.00032 -0.00002 2.60087 R11 2.77498 -0.00012 -0.00043 0.00013 -0.00031 2.77467 R12 2.57910 -0.00004 -0.00020 0.00009 -0.00011 2.57899 R13 1.88732 0.00000 0.00001 -0.00002 -0.00001 1.88732 R14 2.26242 0.00044 0.00007 0.00036 0.00043 2.26285 R15 2.61452 -0.00010 0.00072 -0.00065 0.00008 2.61460 R16 2.64662 0.00072 0.00096 -0.00033 0.00064 2.64726 R17 2.53558 0.00045 0.00048 0.00021 0.00070 2.53628 R18 2.87992 0.00054 0.00048 0.00033 0.00081 2.88073 R19 3.27426 0.00018 -0.00020 0.00060 0.00039 3.27465 R20 2.04322 0.00014 -0.00018 0.00016 -0.00001 2.04321 R21 2.02548 -0.00018 -0.00003 0.00029 0.00025 2.02573 R22 2.73385 0.00013 -0.00030 0.00018 -0.00012 2.73374 R23 2.75970 0.00011 -0.00041 0.00033 -0.00007 2.75963 R24 2.62895 0.00015 -0.00081 0.00022 -0.00057 2.62838 R25 2.88598 -0.00000 0.00049 -0.00007 0.00042 2.88641 R26 2.04315 -0.00007 0.00017 -0.00014 0.00003 2.04318 R27 2.05571 0.00006 -0.00029 0.00038 0.00008 2.05579 R28 2.88907 -0.00015 0.00029 -0.00042 -0.00015 2.88892 R29 2.04954 0.00006 -0.00016 0.00021 0.00005 2.04959 R30 2.04579 0.00001 0.00000 0.00006 0.00006 2.04585 R31 2.86136 -0.00012 -0.00001 -0.00015 -0.00016 2.86119 R32 2.04242 0.00005 0.00014 -0.00002 0.00012 2.04254 R33 2.05146 0.00010 -0.00029 0.00044 0.00015 2.05161 R34 2.37466 0.00002 0.00007 0.00005 0.00012 2.37479 R35 1.89554 -0.00013 -0.00009 -0.00008 -0.00016 1.89538 A1 1.91754 -0.00051 -0.00118 -0.00025 -0.00143 1.91610 A2 1.99340 -0.00039 0.00184 -0.00179 0.00005 1.99344 A3 1.89062 0.00019 -0.00134 0.00053 -0.00081 1.88981 A4 1.93295 0.00095 0.00018 0.00174 0.00193 1.93488 A5 1.91872 -0.00010 -0.00066 0.00140 0.00074 1.91946 A6 1.80662 -0.00011 0.00116 -0.00159 -0.00041 1.80621 A7 1.91030 -0.00013 -0.00127 0.00100 -0.00027 1.91002 A8 1.88870 0.00010 0.00070 -0.00066 0.00004 1.88875 A9 1.96664 0.00022 0.00093 -0.00004 0.00088 1.96752 A10 1.89671 -0.00001 -0.00025 0.00012 -0.00014 1.89657 A11 1.90923 -0.00015 0.00005 -0.00109 -0.00103 1.90819 A12 1.89094 -0.00003 -0.00017 0.00068 0.00050 1.89144 A13 1.91865 0.00027 -0.00191 0.00350 0.00159 1.92024 A14 2.11809 -0.00008 -0.00009 -0.00025 -0.00034 2.11775 A15 2.20154 0.00002 -0.00015 0.00003 -0.00012 2.20142 A16 1.96293 0.00007 0.00034 0.00031 0.00062 1.96355 A17 2.23093 -0.00019 0.00051 -0.00064 -0.00023 2.23070 A18 2.03791 0.00008 -0.00005 0.00025 0.00012 2.03802 A19 2.01270 0.00011 0.00018 0.00038 0.00048 2.01318 A20 2.10971 -0.00012 -0.00063 0.00006 -0.00057 2.10914 A21 2.02342 0.00039 0.00007 0.00071 0.00077 2.02419 A22 2.14987 -0.00026 0.00055 -0.00071 -0.00016 2.14971 A23 1.98477 -0.00081 0.00025 -0.00016 0.00010 1.98487 A24 2.17860 0.00094 0.00025 -0.00054 -0.00029 2.17831 A25 2.11375 -0.00012 -0.00045 0.00053 0.00007 2.11382 A26 2.09364 -0.00041 -0.00006 -0.00035 -0.00044 2.09320 A27 2.07754 0.00155 0.00003 0.00203 0.00205 2.07959 A28 2.11176 -0.00114 0.00013 -0.00169 -0.00157 2.11019 A29 2.12760 0.00027 0.00014 0.00030 0.00042 2.12802 A30 1.99277 -0.00021 -0.00092 0.00009 -0.00082 1.99194 A31 2.16210 -0.00006 0.00080 -0.00040 0.00041 2.16251 A32 1.88665 -0.00024 0.00003 -0.00091 -0.00088 1.88577 A33 1.89556 0.00034 -0.00041 0.00093 0.00053 1.89609 A34 1.95784 -0.00000 0.00227 -0.00158 0.00068 1.95852 A35 1.87643 -0.00002 -0.00031 0.00016 -0.00015 1.87627 A36 1.93946 0.00029 -0.00061 0.00113 0.00052 1.93998 A37 1.90565 -0.00036 -0.00106 0.00033 -0.00073 1.90492 A38 2.10371 0.00087 0.00170 0.00167 0.00334 2.10705 A39 2.10732 -0.00056 -0.00019 -0.00079 -0.00104 2.10627 A40 1.93253 -0.00029 0.00109 -0.00074 0.00032 1.93285 A41 1.79089 0.00010 0.00022 0.00066 0.00087 1.79175 A42 1.93673 -0.00006 -0.00021 -0.00061 -0.00081 1.93591 A43 1.94059 -0.00002 0.00013 0.00032 0.00045 1.94104 A44 1.97004 0.00000 -0.00055 -0.00012 -0.00067 1.96937 A45 1.94237 -0.00002 0.00021 0.00032 0.00055 1.94292 A46 1.88347 0.00000 0.00019 -0.00052 -0.00034 1.88313 A47 1.78889 0.00001 0.00132 -0.00049 0.00079 1.78968 A48 1.91355 0.00003 -0.00006 0.00064 0.00058 1.91413 A49 1.96188 -0.00000 -0.00046 -0.00020 -0.00064 1.96123 A50 1.92687 0.00008 -0.00055 0.00168 0.00113 1.92800 A51 1.98356 -0.00011 0.00008 -0.00164 -0.00155 1.98202 A52 1.88767 0.00000 -0.00029 0.00010 -0.00019 1.88748 A53 1.81991 -0.00002 0.00033 0.00048 0.00078 1.82069 A54 2.00159 0.00008 -0.00028 0.00092 0.00065 2.00223 A55 1.94363 -0.00004 0.00008 -0.00091 -0.00082 1.94281 A56 1.93215 0.00005 -0.00011 0.00092 0.00083 1.93298 A57 1.88446 -0.00007 -0.00002 -0.00125 -0.00126 1.88319 A58 1.87927 -0.00001 0.00001 -0.00027 -0.00026 1.87901 A59 1.87717 0.00018 0.00032 0.00013 0.00045 1.87762 A60 2.27322 -0.00005 0.00005 -0.00012 -0.00005 2.27316 A61 2.13279 -0.00013 -0.00040 -0.00001 -0.00040 2.13239 A62 1.99496 0.00001 -0.00048 0.00084 0.00035 1.99531 D1 -3.10877 -0.00028 -0.00004 0.00144 0.00141 -3.10736 D2 1.11015 -0.00024 0.00058 0.00111 0.00170 1.11185 D3 -0.98031 -0.00041 -0.00024 0.00073 0.00049 -0.97982 D4 -0.92471 0.00028 0.00066 0.00219 0.00286 -0.92185 D5 -2.98897 0.00032 0.00128 0.00186 0.00315 -2.98583 D6 1.20375 0.00015 0.00046 0.00149 0.00194 1.20569 D7 1.07822 0.00004 0.00230 -0.00045 0.00185 1.08006 D8 -0.98605 0.00007 0.00292 -0.00077 0.00214 -0.98391 D9 -3.07651 -0.00009 0.00209 -0.00115 0.00093 -3.07558 D10 -2.76433 0.00015 0.01398 -0.00267 0.01131 -2.75301 D11 1.30051 0.00034 0.01234 -0.00144 0.01090 1.31141 D12 -0.68528 0.00001 0.01120 -0.00131 0.00989 -0.67539 D13 1.80285 0.00011 0.00477 0.00142 0.00619 1.80904 D14 -1.45629 0.00017 0.00515 -0.00014 0.00501 -1.45128 D15 -2.30445 -0.00011 0.00475 0.00111 0.00586 -2.29859 D16 0.71959 -0.00005 0.00514 -0.00046 0.00469 0.72428 D17 -0.24887 0.00015 0.00472 0.00268 0.00740 -0.24147 D18 2.77518 0.00022 0.00511 0.00112 0.00623 2.78141 D19 -3.05731 0.00010 -0.00336 -0.00100 -0.00437 -3.06168 D20 0.01927 0.00012 0.00448 -0.00123 0.00324 0.02252 D21 0.12036 -0.00012 -0.00620 -0.00328 -0.00949 0.11087 D22 -3.08624 -0.00010 0.00164 -0.00351 -0.00188 -3.08812 D23 3.11035 0.00003 -0.00072 0.00541 0.00469 3.11504 D24 -0.07039 0.00010 -0.00003 0.00488 0.00484 -0.06555 D25 -0.06939 0.00026 0.00229 0.00782 0.01010 -0.05929 D26 3.03306 0.00032 0.00297 0.00729 0.01025 3.04331 D27 3.09141 0.00012 0.00644 -0.00082 0.00563 3.09703 D28 -0.02974 -0.00005 0.00658 -0.00393 0.00265 -0.02709 D29 0.01402 0.00010 -0.00129 -0.00059 -0.00188 0.01214 D30 -3.10713 -0.00007 -0.00115 -0.00370 -0.00485 -3.11198 D31 2.90889 0.00025 -0.00229 0.00558 0.00329 2.91218 D32 -0.12002 0.00011 -0.00272 0.00715 0.00444 -0.11558 D33 -0.21174 0.00008 -0.00213 0.00238 0.00024 -0.21149 D34 3.04254 -0.00007 -0.00256 0.00395 0.00140 3.04394 D35 -2.85013 -0.00004 -0.00104 -0.00117 -0.00220 -2.85233 D36 0.31500 -0.00003 -0.00442 -0.00023 -0.00466 0.31034 D37 0.16573 -0.00001 -0.00057 -0.00289 -0.00346 0.16227 D38 -2.95233 0.00000 -0.00395 -0.00196 -0.00591 -2.95824 D39 -0.06377 -0.00021 0.00070 -0.00507 -0.00437 -0.06815 D40 3.12084 -0.00028 -0.00000 -0.00450 -0.00451 3.11633 D41 3.05382 -0.00019 0.00415 -0.00597 -0.00182 3.05199 D42 -0.04476 -0.00026 0.00345 -0.00540 -0.00196 -0.04672 D43 -2.70835 -0.00018 -0.00018 -0.00491 -0.00509 -2.71344 D44 -0.67745 -0.00016 -0.00075 -0.00471 -0.00546 -0.68291 D45 1.43050 -0.00038 -0.00091 -0.00467 -0.00558 1.42492 D46 0.45703 -0.00018 -0.00360 -0.00398 -0.00758 0.44945 D47 2.48793 -0.00015 -0.00417 -0.00379 -0.00796 2.47998 D48 -1.68731 -0.00038 -0.00433 -0.00375 -0.00808 -1.69538 D49 1.06132 -0.00015 -0.00969 0.00037 -0.00933 1.05199 D50 -2.67408 -0.00019 -0.00451 0.00039 -0.00412 -2.67820 D51 -1.05291 -0.00005 -0.01088 0.00184 -0.00905 -1.06195 D52 1.49488 -0.00009 -0.00570 0.00186 -0.00384 1.49104 D53 -3.11976 0.00003 -0.00946 0.00075 -0.00872 -3.12848 D54 -0.57197 -0.00001 -0.00428 0.00077 -0.00351 -0.57548 D55 3.11983 -0.00014 0.00186 -0.00001 0.00188 3.12170 D56 -1.05470 -0.00011 0.00124 -0.00006 0.00119 -1.05351 D57 1.04181 -0.00016 0.00142 -0.00092 0.00053 1.04233 D58 0.51828 0.00003 -0.00239 0.00009 -0.00231 0.51597 D59 2.62694 0.00006 -0.00301 0.00003 -0.00299 2.62395 D60 -1.55974 0.00001 -0.00282 -0.00082 -0.00365 -1.56340 D61 -2.80484 -0.00040 -0.00575 -0.00086 -0.00659 -2.81144 D62 0.33980 -0.00037 -0.00395 -0.00120 -0.00513 0.33467 D63 -0.20458 -0.00006 -0.00077 -0.00008 -0.00085 -0.20543 D64 2.94006 -0.00003 0.00103 -0.00042 0.00061 2.94068 D65 -0.60522 -0.00007 0.00442 0.00001 0.00443 -0.60079 D66 1.44153 0.00004 0.00445 0.00195 0.00639 1.44793 D67 -2.74148 0.00006 0.00373 0.00239 0.00613 -2.73535 D68 -2.69080 -0.00006 0.00481 0.00039 0.00520 -2.68560 D69 -0.64405 0.00005 0.00483 0.00234 0.00717 -0.63688 D70 1.45612 0.00007 0.00412 0.00278 0.00690 1.46302 D71 1.47155 -0.00005 0.00480 0.00092 0.00572 1.47727 D72 -2.76488 0.00006 0.00482 0.00286 0.00768 -2.75720 D73 -0.66471 0.00008 0.00411 0.00330 0.00741 -0.65730 D74 0.49300 -0.00003 -0.00468 -0.00022 -0.00491 0.48809 D75 2.60878 0.00006 -0.00474 0.00179 -0.00296 2.60582 D76 -1.53491 0.00008 -0.00488 0.00141 -0.00347 -1.53839 D77 -1.54423 -0.00010 -0.00506 -0.00143 -0.00649 -1.55072 D78 0.57155 -0.00001 -0.00513 0.00058 -0.00454 0.56701 D79 2.71105 0.00001 -0.00527 0.00020 -0.00505 2.70599 D80 2.61450 -0.00008 -0.00434 -0.00165 -0.00599 2.60851 D81 -1.55291 0.00001 -0.00440 0.00036 -0.00404 -1.55695 D82 0.58658 0.00003 -0.00454 -0.00002 -0.00455 0.58203 D83 -0.19631 0.00006 0.00341 0.00016 0.00358 -0.19273 D84 2.94254 0.00004 0.00179 0.00046 0.00226 2.94479 D85 -2.35762 -0.00005 0.00360 -0.00177 0.00184 -2.35578 D86 0.78122 -0.00007 0.00198 -0.00147 0.00052 0.78174 D87 1.87248 -0.00003 0.00366 -0.00122 0.00244 1.87492 D88 -1.27186 -0.00005 0.00204 -0.00092 0.00112 -1.27075 D89 -0.03135 -0.00027 -0.00225 -0.00169 -0.00394 -0.03530 D90 3.11367 -0.00023 -0.00022 -0.00207 -0.00229 3.11138 Item Value Threshold Converged? Maximum Force 0.001621 0.000450 NO RMS Force 0.000300 0.000300 YES Maximum Displacement 0.051845 0.001800 NO RMS Displacement 0.012579 0.001200 NO Predicted change in Energy=-3.353612D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.723979 -4.989283 2.652265 2 6 0 6.410339 -5.320937 4.095625 3 8 0 7.154889 -6.133550 1.989174 4 8 0 3.329347 -2.364853 -0.732628 5 6 0 3.948543 -2.982381 0.074250 6 7 0 4.920731 -2.383148 0.842380 7 6 0 5.763193 -2.975901 1.737603 8 8 0 6.599109 -2.337310 2.309732 9 7 0 5.598703 -4.338273 1.914222 10 6 0 4.534703 -5.022906 1.312876 11 6 0 3.765734 -4.401097 0.405473 12 1 0 7.496911 -4.244200 2.638256 13 1 0 6.042659 -4.434339 4.597452 14 1 0 7.327898 -5.636922 4.577688 15 1 0 5.065031 -1.404844 0.702564 16 6 0 4.251455 -6.463252 1.723987 17 17 0 2.448310 -5.158865 -0.427010 18 1 0 5.685852 -6.112055 4.192938 19 1 0 7.663948 -5.894145 1.225856 20 1 0 3.735429 -6.949302 0.907589 21 1 0 5.185847 -6.970155 1.862140 22 7 0 3.483620 -6.541900 2.947500 23 6 0 2.153849 -5.944503 3.033562 24 6 0 1.723396 -6.289546 4.457875 25 6 0 2.359438 -7.662894 4.673382 26 6 0 3.577180 -7.656912 3.773659 27 1 0 2.196958 -4.879070 2.854693 28 1 0 1.478615 -6.379585 2.299914 29 1 0 2.139518 -5.565995 5.150455 30 1 0 0.647122 -6.287924 4.574863 31 1 0 2.639413 -7.875996 5.695375 32 1 0 1.701592 -8.459287 4.339225 33 7 0 4.463674 -8.545052 3.841394 34 1 0 5.204016 -8.441619 3.172670 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513820 0.000000 3 O 1.390943 2.377358 0.000000 4 O 5.465223 6.445384 6.020470 0.000000 5 C 4.286824 5.263149 4.886457 1.189873 0.000000 6 N 3.649565 4.629594 4.513548 2.239083 1.376319 7 C 2.411104 3.387958 3.459892 3.521226 2.461654 8 O 2.676916 3.482395 3.850076 4.466324 3.526895 9 N 1.494913 2.526440 2.377047 4.006268 2.819037 10 C 2.566714 3.369053 2.925112 3.564017 2.457951 11 C 3.761017 4.632198 4.122605 2.373183 1.468293 12 H 1.073671 2.112800 2.026803 5.680088 4.556011 13 H 2.134457 1.083086 3.305675 6.328870 5.191614 14 H 2.119294 1.083580 2.641397 7.409069 6.224755 15 H 4.404730 5.353364 5.327621 2.448263 2.032227 16 C 3.024510 3.404457 2.934102 4.866428 3.863917 17 Cl 5.271815 6.014828 5.379576 2.945527 2.690547 18 H 2.170714 1.077135 2.648605 6.622374 5.456803 19 H 1.933123 3.183658 0.948214 5.922865 4.858889 20 H 3.977059 4.468812 3.678041 4.885938 4.059105 21 H 2.629449 3.034428 2.143168 5.602519 4.542006 22 N 3.605233 3.372628 3.816196 5.569100 4.598032 23 C 4.684433 4.431085 5.112424 5.327277 4.555505 24 C 5.473275 4.799673 5.968244 6.702509 5.924930 25 C 5.502938 4.714696 5.704403 7.631180 6.751627 26 C 4.275057 3.686086 4.278437 6.955137 5.972837 27 H 4.532884 4.414491 5.186899 4.524651 3.794251 28 H 5.437917 5.354177 5.690095 5.360932 4.753433 29 H 5.252698 4.405977 5.955650 6.802476 5.976244 30 H 6.504693 5.863395 7.004331 7.124204 6.487026 31 H 5.854683 4.827775 6.096029 8.495171 7.566924 32 H 6.333335 5.663998 6.377322 8.094159 7.296252 33 N 4.377956 3.774792 4.060628 7.771952 6.737955 34 H 3.807852 3.470694 3.245574 7.462763 6.401539 6 7 8 9 10 6 N 0.000000 7 C 1.364743 0.000000 8 O 2.229837 1.197449 0.000000 9 N 2.330452 1.383585 2.271803 0.000000 10 C 2.709005 2.424832 3.530993 1.400869 0.000000 11 C 2.365803 2.792060 3.989164 2.374879 1.342141 12 H 3.650396 2.329279 2.133122 2.033782 3.337318 13 H 4.423423 3.222403 3.152908 2.721405 3.661800 14 H 5.507633 4.194689 4.069668 3.430838 4.340270 15 H 0.998724 2.006728 2.409539 3.218374 3.707304 16 C 4.227578 3.800942 4.783092 2.523253 1.524415 17 Cl 3.927954 4.520988 5.716647 4.009952 2.720060 18 H 5.071134 3.983731 4.316156 2.889021 3.287270 19 H 4.472068 3.520072 3.867783 2.675785 3.249431 20 H 4.717940 4.537474 5.606882 3.361930 2.124641 21 H 4.706467 4.037685 4.864246 2.664576 2.125431 22 N 4.877708 4.401892 5.271773 3.224471 2.466600 23 C 5.013997 4.849688 5.770277 3.962312 3.078728 24 C 6.209244 5.890678 6.633797 5.029478 4.404412 25 C 7.008032 6.494016 7.205795 5.399899 4.795239 26 C 6.181433 5.553021 6.290731 4.307833 3.729650 27 H 4.206896 4.193802 5.112382 3.570549 2.804094 28 H 5.472119 5.500807 6.523767 4.614200 3.486331 29 H 6.035327 5.611343 6.195326 4.893513 4.556190 30 H 6.887847 6.722628 7.494285 5.949647 5.230116 31 H 7.676415 7.030853 7.603868 5.964059 5.562243 32 H 7.714289 7.302915 8.098340 6.168539 5.384610 33 N 6.868191 6.093450 6.741078 4.764375 4.336353 34 H 6.497351 5.678571 6.320881 4.310095 3.948976 11 12 13 14 15 11 C 0.000000 12 H 4.351049 0.000000 13 H 4.770554 2.447335 0.000000 14 H 5.623491 2.393665 1.760237 0.000000 15 H 3.279324 4.209857 5.030284 6.168277 0.000000 16 C 2.495374 4.036467 3.947366 4.276790 5.224243 17 Cl 1.732872 5.976692 6.220088 7.006134 4.713368 18 H 4.578114 3.030817 1.762292 1.752170 5.892875 19 H 4.254209 2.178324 4.015877 3.378442 5.213639 20 H 2.597381 4.945860 5.026274 5.300736 5.705339 21 H 3.276989 3.657076 3.827064 3.706763 5.686115 22 N 3.335346 4.634820 3.703084 4.272583 5.824942 23 C 3.447772 5.620997 4.455243 5.408300 5.875120 24 C 4.915216 6.389674 4.702904 5.643644 7.009223 25 C 5.552660 6.497910 4.898515 5.366499 7.889919 26 C 4.688343 5.319778 4.140314 4.335287 7.122758 27 H 2.947575 5.342229 4.245516 5.465308 4.992770 28 H 3.568506 6.394860 5.467464 6.320911 6.337347 29 H 5.149410 6.062998 4.101338 5.220381 6.757037 30 H 5.538020 7.405867 5.705095 6.712420 7.639181 31 H 6.428576 6.791996 4.963116 5.314562 8.525702 32 H 6.016975 7.365187 5.925517 6.299042 8.619930 33 N 5.428171 5.398647 4.467972 4.147666 7.822817 34 H 5.104102 4.812618 4.334930 3.788308 7.459018 16 17 18 19 20 16 C 0.000000 17 Cl 3.095084 0.000000 18 H 2.876900 5.721378 0.000000 19 H 3.495300 5.520460 3.572664 0.000000 20 H 1.081218 2.577498 3.911349 4.080185 0.000000 21 H 1.071972 4.001885 2.533567 2.775543 1.736466 22 N 1.446631 3.791038 2.566263 4.567142 2.095381 23 C 2.526665 3.560827 3.721192 5.799269 2.833862 24 C 3.727654 5.066166 3.975267 6.774397 4.133774 25 C 3.703754 5.682610 3.701480 6.568998 4.072316 26 C 2.465892 5.015995 2.647428 5.128384 2.956368 27 H 2.830034 3.303186 3.934912 5.794089 3.231713 28 H 2.833256 3.141111 4.621251 6.296634 2.712260 29 H 4.123837 5.600823 3.713692 6.784504 4.739450 30 H 4.598853 5.434867 5.056243 7.785034 4.839830 31 H 4.512920 6.700964 3.827479 7.010727 4.998291 32 H 4.162382 5.845286 4.626578 7.198799 4.265287 33 N 2.976968 5.809236 2.745319 4.910204 3.418182 34 H 2.630587 5.597150 2.588432 4.041160 3.084534 21 22 23 24 25 21 H 0.000000 22 N 2.063731 0.000000 23 C 3.408402 1.460336 0.000000 24 C 4.380598 2.333089 1.527420 0.000000 25 C 4.046178 2.345012 2.384144 1.528750 0.000000 26 C 2.591014 1.390878 2.346477 2.402989 1.514078 27 H 3.780378 2.104547 1.081204 2.187212 3.329220 28 H 3.779417 2.113235 1.087878 2.173666 2.838324 29 H 4.697319 2.758988 2.150514 1.084597 2.161701 30 H 5.331448 3.280021 2.182607 1.082615 2.198244 31 H 4.690263 3.169119 3.324407 2.210727 1.080865 32 H 4.526975 2.964607 2.869395 2.173092 1.085664 33 N 2.630453 2.402534 3.570817 3.602288 2.428624 34 H 1.970540 2.572818 3.944421 4.289275 3.309104 26 27 28 29 30 26 C 0.000000 27 H 3.235107 0.000000 28 H 2.864867 1.753666 0.000000 29 H 2.886932 2.397017 3.037155 0.000000 30 H 3.331860 2.710322 2.423876 1.754917 0.000000 31 H 2.149511 4.152927 3.887911 2.425477 2.783297 32 H 2.116955 3.907323 2.921244 3.036612 2.425335 33 N 1.256683 4.421652 3.996997 3.998765 4.494293 34 H 1.903562 4.672822 4.346528 4.644566 5.231618 31 32 33 34 31 H 0.000000 32 H 1.748966 0.000000 33 N 2.685668 2.807898 0.000000 34 H 3.641588 3.691631 1.002994 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.348772 2.475151 -0.330718 2 6 0 0.859046 2.790122 0.525798 3 8 0 0.002917 2.521113 -1.675681 4 8 0 -3.562522 -1.895476 0.331169 5 6 0 -2.756069 -1.024758 0.245843 6 7 0 -2.976108 0.212273 0.807620 7 6 0 -2.188958 1.323573 0.718569 8 8 0 -2.525006 2.356030 1.223533 9 7 0 -1.014686 1.178601 0.001369 10 6 0 -0.606034 -0.074690 -0.472656 11 6 0 -1.440475 -1.123296 -0.398661 12 1 0 -1.107533 3.206342 -0.124781 13 1 0 0.587520 2.718892 1.571874 14 1 0 1.167082 3.807586 0.315973 15 1 0 -3.833672 0.334476 1.304712 16 6 0 0.799189 -0.230983 -1.042535 17 17 0 -1.055908 -2.707853 -0.985288 18 1 0 1.691505 2.135781 0.328140 19 1 0 -0.767956 2.667793 -2.207987 20 1 0 0.792975 -1.070753 -1.723549 21 1 0 1.036927 0.644931 -1.612956 22 7 0 1.793234 -0.406562 -0.006298 23 6 0 1.720900 -1.539074 0.912813 24 6 0 2.955733 -1.338408 1.789131 25 6 0 3.966299 -0.744542 0.807727 26 6 0 3.114702 -0.028449 -0.219124 27 1 0 0.798600 -1.520307 1.476738 28 1 0 1.765745 -2.484618 0.376703 29 1 0 2.731869 -0.629144 2.578549 30 1 0 3.289076 -2.260229 2.248677 31 1 0 4.682401 -0.067057 1.250987 32 1 0 4.522983 -1.523027 0.295153 33 7 0 3.608322 0.754094 -1.069547 34 1 0 2.941085 1.142791 -1.709629 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4513903 0.2980048 0.2180473 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.2477253848 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.53D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999998 0.001566 -0.000090 0.001528 Ang= 0.25 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16361703 A.U. after 11 cycles NFock= 11 Conv=0.59D-08 -V/T= 2.0011 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 0.000691024 -0.000906379 -0.000353377 2 6 0.000118013 -0.000054917 0.000009471 3 8 -0.000277693 0.000715251 0.000566955 4 8 -0.000077473 0.000015085 0.000237851 5 6 -0.000063911 -0.000124703 -0.000297635 6 7 0.000078094 0.000123664 0.000148129 7 6 -0.000164645 -0.000250100 -0.000081036 8 8 0.000174579 0.000019095 0.000012086 9 7 -0.000545919 0.000481942 -0.000203475 10 6 0.000248239 0.000043203 0.000358043 11 6 0.000040107 0.000043060 0.000015676 12 1 -0.000051223 0.000115047 -0.000062013 13 1 -0.000010512 -0.000029088 -0.000011872 14 1 0.000002939 0.000025997 0.000028907 15 1 0.000030174 -0.000018040 -0.000015192 16 6 -0.000113604 -0.000359244 -0.000241099 17 17 -0.000043415 -0.000113199 -0.000090893 18 1 -0.000108808 0.000006192 0.000007255 19 1 0.000192948 -0.000020732 0.000004539 20 1 -0.000037408 0.000055685 -0.000053108 21 1 -0.000138487 -0.000005141 0.000054234 22 7 0.000052038 0.000470752 -0.000040170 23 6 -0.000141580 -0.000032565 0.000009658 24 6 0.000218780 0.000003625 -0.000019896 25 6 0.000030255 0.000040548 -0.000007355 26 6 0.000081789 -0.000121718 0.000191809 27 1 0.000012891 -0.000004293 0.000005736 28 1 -0.000017105 0.000014790 -0.000073648 29 1 -0.000042705 0.000031896 0.000014647 30 1 0.000010644 -0.000044402 -0.000033803 31 1 0.000008259 -0.000050079 -0.000024650 32 1 -0.000039435 -0.000030225 -0.000035575 33 7 0.000013371 0.000016748 0.000003387 34 1 -0.000130224 -0.000057754 -0.000023586 ------------------------------------------------------------------- Cartesian Forces: Max 0.000906379 RMS 0.000202500 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000870044 RMS 0.000138551 Search for a local minimum. Step number 25 out of a maximum of 197 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 20 21 22 23 24 25 DE= -4.01D-05 DEPred=-3.35D-05 R= 1.19D+00 TightC=F SS= 1.41D+00 RLast= 5.04D-02 DXNew= 2.6785D+00 1.5112D-01 Trust test= 1.19D+00 RLast= 5.04D-02 DXMaxT set to 1.59D+00 ITU= 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 -1 ITU= 0 1 0 1 0 Eigenvalues --- 0.00240 0.00300 0.00355 0.00451 0.00826 Eigenvalues --- 0.00868 0.01052 0.01187 0.01345 0.01446 Eigenvalues --- 0.01752 0.01903 0.02043 0.02308 0.02592 Eigenvalues --- 0.03053 0.03237 0.03706 0.03775 0.04415 Eigenvalues --- 0.04986 0.05349 0.05398 0.05423 0.05777 Eigenvalues --- 0.05872 0.05888 0.06196 0.06387 0.06595 Eigenvalues --- 0.06713 0.06877 0.07317 0.08274 0.08586 Eigenvalues --- 0.08987 0.09463 0.10195 0.10942 0.13813 Eigenvalues --- 0.15976 0.16005 0.16045 0.16434 0.16595 Eigenvalues --- 0.17729 0.20381 0.21023 0.21490 0.21830 Eigenvalues --- 0.22616 0.23277 0.23838 0.24844 0.25007 Eigenvalues --- 0.25225 0.25605 0.26297 0.27196 0.28000 Eigenvalues --- 0.28423 0.29237 0.30135 0.31777 0.32073 Eigenvalues --- 0.32591 0.33757 0.33810 0.33832 0.33849 Eigenvalues --- 0.33878 0.33914 0.33983 0.34080 0.34456 Eigenvalues --- 0.34492 0.35202 0.35842 0.36264 0.37321 Eigenvalues --- 0.37943 0.39371 0.39590 0.41283 0.43148 Eigenvalues --- 0.47520 0.48777 0.49366 0.51267 0.56020 Eigenvalues --- 0.57130 0.64518 0.76649 0.86533 0.89660 Eigenvalues --- 0.97129 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 RFO step: Lambda=-2.59217770D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.02584 0.27003 -0.26438 -0.34411 0.18967 RFO-DIIS coefs: 0.12294 Iteration 1 RMS(Cart)= 0.00663363 RMS(Int)= 0.00003080 Iteration 2 RMS(Cart)= 0.00003111 RMS(Int)= 0.00001013 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001013 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86071 0.00004 0.00003 0.00032 0.00036 2.86106 R2 2.62850 -0.00087 -0.00069 -0.00127 -0.00196 2.62654 R3 2.82498 0.00058 -0.00043 0.00157 0.00114 2.82611 R4 2.02894 0.00004 -0.00003 0.00003 -0.00000 2.02894 R5 2.04674 -0.00003 -0.00033 0.00037 0.00004 2.04678 R6 2.04767 0.00001 0.00003 -0.00007 -0.00004 2.04763 R7 2.03549 0.00007 0.00009 0.00016 0.00025 2.03574 R8 1.79187 0.00009 0.00058 -0.00045 0.00013 1.79199 R9 2.24853 -0.00011 0.00014 -0.00021 -0.00007 2.24846 R10 2.60087 0.00010 -0.00014 0.00031 0.00017 2.60104 R11 2.77467 -0.00007 -0.00021 -0.00001 -0.00023 2.77444 R12 2.57899 -0.00005 -0.00006 -0.00013 -0.00017 2.57882 R13 1.88732 -0.00001 0.00000 -0.00002 -0.00002 1.88729 R14 2.26285 0.00014 0.00021 0.00005 0.00027 2.26312 R15 2.61460 -0.00017 -0.00007 -0.00019 -0.00025 2.61434 R16 2.64726 0.00012 0.00045 -0.00071 -0.00026 2.64700 R17 2.53628 0.00004 0.00030 0.00008 0.00038 2.53665 R18 2.88073 0.00004 -0.00017 0.00036 0.00019 2.88091 R19 3.27465 0.00013 0.00003 0.00047 0.00050 3.27516 R20 2.04321 0.00003 -0.00007 -0.00002 -0.00008 2.04312 R21 2.02573 -0.00011 -0.00019 0.00019 0.00000 2.02574 R22 2.73374 -0.00007 -0.00074 0.00062 -0.00012 2.73361 R23 2.75963 -0.00000 -0.00022 0.00027 0.00006 2.75969 R24 2.62838 0.00020 -0.00025 0.00055 0.00029 2.62867 R25 2.88641 -0.00002 -0.00002 0.00009 0.00007 2.88648 R26 2.04318 -0.00000 0.00005 -0.00006 -0.00002 2.04316 R27 2.05579 0.00005 0.00012 0.00000 0.00012 2.05591 R28 2.88892 -0.00002 0.00002 -0.00012 -0.00010 2.88882 R29 2.04959 0.00001 -0.00008 0.00009 0.00002 2.04961 R30 2.04585 -0.00001 -0.00004 0.00001 -0.00003 2.04581 R31 2.86119 -0.00012 -0.00002 -0.00025 -0.00028 2.86092 R32 2.04254 -0.00001 0.00000 -0.00000 0.00000 2.04254 R33 2.05161 0.00006 -0.00001 0.00015 0.00013 2.05174 R34 2.37479 -0.00005 -0.00008 0.00003 -0.00005 2.37474 R35 1.89538 -0.00009 -0.00018 0.00004 -0.00013 1.89525 A1 1.91610 -0.00017 -0.00139 0.00093 -0.00046 1.91564 A2 1.99344 -0.00020 0.00034 -0.00122 -0.00089 1.99255 A3 1.88981 0.00011 -0.00061 0.00081 0.00021 1.89002 A4 1.93488 0.00038 0.00067 0.00024 0.00091 1.93578 A5 1.91946 -0.00004 0.00085 -0.00006 0.00080 1.92026 A6 1.80621 -0.00009 0.00024 -0.00075 -0.00051 1.80570 A7 1.91002 -0.00001 -0.00131 0.00134 0.00004 1.91006 A8 1.88875 0.00004 0.00078 -0.00055 0.00023 1.88897 A9 1.96752 -0.00000 0.00120 -0.00119 0.00001 1.96754 A10 1.89657 -0.00002 -0.00024 0.00014 -0.00010 1.89647 A11 1.90819 -0.00003 -0.00063 -0.00001 -0.00063 1.90756 A12 1.89144 0.00002 0.00019 0.00028 0.00047 1.89191 A13 1.92024 0.00008 -0.00075 0.00178 0.00103 1.92127 A14 2.11775 -0.00000 -0.00021 0.00002 -0.00019 2.11756 A15 2.20142 0.00006 -0.00012 0.00025 0.00013 2.20154 A16 1.96355 -0.00006 0.00033 -0.00029 0.00004 1.96359 A17 2.23070 -0.00004 -0.00003 0.00003 0.00004 2.23074 A18 2.03802 0.00003 0.00009 -0.00005 0.00006 2.03808 A19 2.01318 0.00001 0.00012 -0.00006 0.00008 2.01326 A20 2.10914 -0.00002 0.00009 -0.00047 -0.00038 2.10876 A21 2.02419 0.00013 0.00013 0.00024 0.00042 2.02461 A22 2.14971 -0.00012 -0.00024 0.00022 -0.00003 2.14969 A23 1.98487 -0.00042 0.00018 -0.00025 -0.00008 1.98479 A24 2.17831 0.00047 -0.00015 0.00007 -0.00010 2.17821 A25 2.11382 -0.00005 0.00013 0.00003 0.00019 2.11401 A26 2.09320 -0.00006 -0.00025 0.00021 -0.00001 2.09319 A27 2.07959 0.00074 0.00099 0.00037 0.00136 2.08096 A28 2.11019 -0.00068 -0.00078 -0.00061 -0.00138 2.10882 A29 2.12802 0.00008 0.00013 0.00012 0.00026 2.12828 A30 1.99194 0.00003 -0.00045 0.00001 -0.00043 1.99151 A31 2.16251 -0.00012 0.00026 -0.00012 0.00015 2.16266 A32 1.88577 -0.00002 -0.00085 0.00039 -0.00045 1.88532 A33 1.89609 0.00024 0.00050 0.00060 0.00109 1.89718 A34 1.95852 -0.00033 0.00031 -0.00153 -0.00122 1.95730 A35 1.87627 -0.00001 0.00001 0.00036 0.00037 1.87664 A36 1.93998 0.00014 0.00027 0.00027 0.00056 1.94054 A37 1.90492 -0.00000 -0.00026 0.00001 -0.00026 1.90467 A38 2.10705 0.00005 0.00137 -0.00052 0.00084 2.10789 A39 2.10627 -0.00007 -0.00016 -0.00073 -0.00090 2.10537 A40 1.93285 -0.00000 0.00063 -0.00062 0.00004 1.93288 A41 1.79175 -0.00007 0.00017 -0.00018 0.00003 1.79178 A42 1.93591 0.00001 -0.00076 0.00043 -0.00035 1.93557 A43 1.94104 0.00002 0.00019 -0.00001 0.00017 1.94121 A44 1.96937 0.00002 0.00034 -0.00055 -0.00022 1.96915 A45 1.94292 0.00005 0.00012 0.00047 0.00058 1.94350 A46 1.88313 -0.00002 -0.00006 -0.00014 -0.00020 1.88294 A47 1.78968 0.00007 0.00032 0.00007 0.00044 1.79012 A48 1.91413 0.00001 0.00033 0.00021 0.00052 1.91465 A49 1.96123 -0.00005 -0.00031 -0.00031 -0.00063 1.96060 A50 1.92800 0.00002 0.00032 0.00048 0.00080 1.92880 A51 1.98202 -0.00005 -0.00055 -0.00038 -0.00095 1.98107 A52 1.88748 0.00001 -0.00006 -0.00004 -0.00009 1.88739 A53 1.82069 -0.00000 0.00032 -0.00015 0.00021 1.82090 A54 2.00223 0.00006 0.00060 0.00001 0.00060 2.00283 A55 1.94281 -0.00003 -0.00077 0.00036 -0.00041 1.94241 A56 1.93298 -0.00003 0.00011 0.00016 0.00027 1.93325 A57 1.88319 0.00001 -0.00023 -0.00034 -0.00056 1.88263 A58 1.87901 -0.00001 -0.00009 -0.00007 -0.00016 1.87884 A59 1.87762 -0.00002 -0.00021 0.00029 0.00009 1.87771 A60 2.27316 0.00007 0.00074 -0.00062 0.00011 2.27327 A61 2.13239 -0.00005 -0.00051 0.00033 -0.00020 2.13219 A62 1.99531 -0.00003 0.00001 -0.00002 -0.00001 1.99530 D1 -3.10736 -0.00009 -0.00200 0.00252 0.00052 -3.10684 D2 1.11185 -0.00009 -0.00142 0.00191 0.00049 1.11234 D3 -0.97982 -0.00014 -0.00291 0.00266 -0.00025 -0.98007 D4 -0.92185 0.00013 -0.00197 0.00266 0.00069 -0.92116 D5 -2.98583 0.00013 -0.00139 0.00205 0.00066 -2.98517 D6 1.20569 0.00008 -0.00288 0.00280 -0.00009 1.20561 D7 1.08006 -0.00001 -0.00187 0.00156 -0.00030 1.07976 D8 -0.98391 -0.00001 -0.00128 0.00095 -0.00033 -0.98425 D9 -3.07558 -0.00006 -0.00278 0.00170 -0.00108 -3.07666 D10 -2.75301 0.00005 0.01791 0.00092 0.01883 -2.73418 D11 1.31141 0.00015 0.01803 0.00164 0.01966 1.33107 D12 -0.67539 0.00007 0.01685 0.00245 0.01930 -0.65609 D13 1.80904 0.00004 0.00085 0.00116 0.00201 1.81105 D14 -1.45128 0.00006 0.00244 -0.00029 0.00214 -1.44913 D15 -2.29859 -0.00003 -0.00021 0.00165 0.00144 -2.29715 D16 0.72428 -0.00001 0.00137 0.00020 0.00157 0.72585 D17 -0.24147 0.00006 0.00126 0.00127 0.00252 -0.23894 D18 2.78141 0.00007 0.00284 -0.00018 0.00266 2.78406 D19 -3.06168 -0.00009 -0.00501 -0.00129 -0.00631 -3.06799 D20 0.02252 -0.00009 0.00088 -0.00308 -0.00219 0.02032 D21 0.11087 -0.00002 -0.00493 -0.00072 -0.00565 0.10522 D22 -3.08812 -0.00002 0.00097 -0.00250 -0.00154 -3.08965 D23 3.11504 0.00013 0.00329 0.00388 0.00718 3.12222 D24 -0.06555 0.00010 0.00263 0.00390 0.00652 -0.05902 D25 -0.05929 0.00006 0.00320 0.00327 0.00647 -0.05282 D26 3.04331 0.00003 0.00254 0.00328 0.00582 3.04913 D27 3.09703 -0.00002 0.00371 -0.00290 0.00079 3.09783 D28 -0.02709 -0.00003 0.00288 -0.00277 0.00011 -0.02697 D29 0.01214 -0.00002 -0.00212 -0.00114 -0.00327 0.00887 D30 -3.11198 -0.00003 -0.00295 -0.00101 -0.00395 -3.11593 D31 2.91218 0.00011 0.00272 0.00254 0.00525 2.91743 D32 -0.11558 0.00006 0.00123 0.00393 0.00515 -0.11043 D33 -0.21149 0.00010 0.00188 0.00269 0.00455 -0.20694 D34 3.04394 0.00004 0.00038 0.00408 0.00445 3.04839 D35 -2.85233 -0.00003 -0.00431 -0.00002 -0.00433 -2.85666 D36 0.31034 0.00003 -0.00441 0.00135 -0.00307 0.30727 D37 0.16227 -0.00003 -0.00261 -0.00159 -0.00421 0.15806 D38 -2.95824 0.00003 -0.00271 -0.00022 -0.00295 -2.96119 D39 -0.06815 -0.00004 0.00021 -0.00222 -0.00201 -0.07015 D40 3.11633 -0.00001 0.00095 -0.00224 -0.00128 3.11505 D41 3.05199 -0.00008 0.00037 -0.00360 -0.00325 3.04874 D42 -0.04672 -0.00006 0.00112 -0.00362 -0.00252 -0.04924 D43 -2.71344 -0.00010 -0.00446 0.00296 -0.00150 -2.71493 D44 -0.68291 0.00000 -0.00463 0.00391 -0.00073 -0.68363 D45 1.42492 -0.00005 -0.00444 0.00335 -0.00109 1.42383 D46 0.44945 -0.00004 -0.00457 0.00433 -0.00024 0.44920 D47 2.47998 0.00006 -0.00474 0.00528 0.00053 2.48050 D48 -1.69538 0.00000 -0.00456 0.00472 0.00016 -1.69522 D49 1.05199 -0.00010 -0.00624 0.00215 -0.00410 1.04789 D50 -2.67820 -0.00014 -0.00242 -0.00172 -0.00414 -2.68234 D51 -1.06195 0.00005 -0.00558 0.00253 -0.00306 -1.06501 D52 1.49104 0.00002 -0.00176 -0.00134 -0.00310 1.48794 D53 -3.12848 -0.00002 -0.00559 0.00191 -0.00368 -3.13216 D54 -0.57548 -0.00006 -0.00177 -0.00196 -0.00372 -0.57921 D55 3.12170 -0.00003 0.00168 -0.00241 -0.00073 3.12097 D56 -1.05351 -0.00004 0.00181 -0.00295 -0.00114 -1.05465 D57 1.04233 -0.00005 0.00135 -0.00285 -0.00151 1.04083 D58 0.51597 0.00002 -0.00152 0.00115 -0.00037 0.51560 D59 2.62395 0.00001 -0.00139 0.00061 -0.00078 2.62317 D60 -1.56340 0.00000 -0.00185 0.00071 -0.00114 -1.56454 D61 -2.81144 -0.00001 -0.00323 0.00230 -0.00092 -2.81235 D62 0.33467 -0.00007 -0.00573 0.00360 -0.00213 0.33254 D63 -0.20543 -0.00003 0.00052 -0.00118 -0.00067 -0.20609 D64 2.94068 -0.00008 -0.00198 0.00011 -0.00188 2.93879 D65 -0.60079 -0.00004 0.00197 -0.00084 0.00112 -0.59967 D66 1.44793 0.00002 0.00265 -0.00016 0.00249 1.45042 D67 -2.73535 0.00001 0.00259 -0.00027 0.00231 -2.73304 D68 -2.68560 -0.00002 0.00261 -0.00098 0.00162 -2.68397 D69 -0.63688 0.00004 0.00329 -0.00029 0.00299 -0.63389 D70 1.46302 0.00002 0.00324 -0.00041 0.00282 1.46584 D71 1.47727 -0.00004 0.00235 -0.00074 0.00161 1.47888 D72 -2.75720 0.00002 0.00303 -0.00005 0.00298 -2.75422 D73 -0.65730 0.00001 0.00298 -0.00017 0.00281 -0.65449 D74 0.48809 0.00004 -0.00154 0.00010 -0.00144 0.48665 D75 2.60582 0.00004 -0.00082 0.00020 -0.00062 2.60520 D76 -1.53839 0.00005 -0.00112 0.00041 -0.00071 -1.53909 D77 -1.55072 -0.00001 -0.00223 -0.00039 -0.00263 -1.55335 D78 0.56701 -0.00002 -0.00150 -0.00029 -0.00180 0.56521 D79 2.70599 -0.00001 -0.00180 -0.00008 -0.00189 2.70410 D80 2.60851 -0.00000 -0.00200 -0.00043 -0.00243 2.60608 D81 -1.55695 -0.00001 -0.00128 -0.00033 -0.00160 -1.55855 D82 0.58203 0.00000 -0.00158 -0.00012 -0.00169 0.58034 D83 -0.19273 0.00001 0.00067 0.00068 0.00135 -0.19138 D84 2.94479 0.00005 0.00294 -0.00049 0.00245 2.94724 D85 -2.35578 -0.00004 -0.00033 0.00068 0.00034 -2.35544 D86 0.78174 0.00000 0.00194 -0.00050 0.00144 0.78318 D87 1.87492 -0.00003 -0.00014 0.00087 0.00073 1.87564 D88 -1.27075 0.00002 0.00213 -0.00031 0.00182 -1.26892 D89 -0.03530 -0.00007 -0.00201 0.00049 -0.00152 -0.03682 D90 3.11138 -0.00013 -0.00483 0.00195 -0.00289 3.10849 Item Value Threshold Converged? Maximum Force 0.000870 0.000450 NO RMS Force 0.000139 0.000300 YES Maximum Displacement 0.034504 0.001800 NO RMS Displacement 0.006635 0.001200 NO Predicted change in Energy=-1.181930D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.723513 -4.988114 2.654080 2 6 0 6.405612 -5.317944 4.097123 3 8 0 7.156823 -6.132530 1.994993 4 8 0 3.317585 -2.365104 -0.724958 5 6 0 3.943175 -2.983693 0.076099 6 7 0 4.919148 -2.384470 0.839589 7 6 0 5.764106 -2.976776 1.732612 8 8 0 6.602476 -2.337728 2.300923 9 7 0 5.598956 -4.338503 1.912500 10 6 0 4.535687 -5.024490 1.311725 11 6 0 3.764856 -4.403362 0.405140 12 1 0 7.495404 -4.241934 2.641160 13 1 0 6.035295 -4.431002 4.596445 14 1 0 7.321845 -5.632172 4.582793 15 1 0 5.061845 -1.405885 0.700181 16 6 0 4.252482 -6.465127 1.722211 17 17 0 2.448884 -5.163247 -0.428263 18 1 0 5.681078 -6.109326 4.193367 19 1 0 7.682207 -5.895384 1.242017 20 1 0 3.735399 -6.950036 0.905862 21 1 0 5.186320 -6.973165 1.859960 22 7 0 3.485601 -6.542609 2.946320 23 6 0 2.158377 -5.940020 3.035953 24 6 0 1.728521 -6.287209 4.459966 25 6 0 2.360349 -7.662980 4.672016 26 6 0 3.576008 -7.660118 3.769712 27 1 0 2.206005 -4.874251 2.860307 28 1 0 1.480356 -6.369687 2.301592 29 1 0 2.146271 -5.566071 5.154093 30 1 0 0.652302 -6.283583 4.577262 31 1 0 2.641399 -7.879428 5.693010 32 1 0 1.698996 -8.456357 4.337377 33 7 0 4.458036 -8.553001 3.832730 34 1 0 5.196083 -8.452693 3.161103 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514009 0.000000 3 O 1.389907 2.376304 0.000000 4 O 5.467945 6.442643 6.027552 0.000000 5 C 4.288819 5.261269 4.891304 1.189836 0.000000 6 N 3.650627 4.628863 4.515540 2.239014 1.376411 7 C 2.411441 3.388733 3.459377 3.521258 2.461681 8 O 2.676549 3.485222 3.847261 4.466230 3.526895 9 N 1.495514 2.526376 2.377454 4.006887 2.819484 10 C 2.567065 3.367667 2.926595 3.564293 2.458189 11 C 3.762089 4.630420 4.125905 2.373114 1.468171 12 H 1.073669 2.113119 2.026456 5.683961 4.558622 13 H 2.134667 1.083109 3.304630 6.322279 5.187022 14 H 2.119611 1.083558 2.640891 7.408108 6.224158 15 H 4.405817 5.352488 5.329788 2.448176 2.032334 16 C 3.025879 3.404733 2.936021 4.865477 3.863384 17 Cl 5.272947 6.013214 5.382970 2.944873 2.690305 18 H 2.170990 1.077265 2.647870 6.617796 5.453603 19 H 1.932913 3.180371 0.948282 5.948259 4.880334 20 H 3.979225 4.469665 3.682480 4.884235 4.057530 21 H 2.633253 3.038311 2.146575 5.604302 4.543507 22 N 3.603600 3.369068 3.814584 5.563997 4.594934 23 C 4.678934 4.421772 5.109317 5.316790 4.548199 24 C 5.467982 4.790231 5.963764 6.692644 5.919139 25 C 5.501289 4.711035 5.702183 7.623065 6.747112 26 C 4.276802 3.687769 4.278479 6.950253 5.970472 27 H 4.523646 4.400373 5.180987 4.515037 3.787319 28 H 5.433571 5.346798 5.689686 5.345288 4.741651 29 H 5.247404 4.395536 5.950329 6.795691 5.973572 30 H 6.498960 5.853510 6.999980 7.111382 6.479166 31 H 5.853072 4.824661 6.092293 8.488540 7.563896 32 H 6.333086 5.662120 6.377681 8.083962 7.290054 33 N 4.385206 3.785308 4.064408 7.769378 6.737548 34 H 3.820135 3.487943 3.253839 7.462504 6.402889 6 7 8 9 10 6 N 0.000000 7 C 1.364651 0.000000 8 O 2.229636 1.197590 0.000000 9 N 2.330563 1.383451 2.271789 0.000000 10 C 2.709181 2.424725 3.531121 1.400732 0.000000 11 C 2.365811 2.791833 3.989101 2.374924 1.342340 12 H 3.651428 2.328836 2.130512 2.033909 3.337621 13 H 4.421317 3.223330 3.157992 2.720755 3.659295 14 H 5.507459 4.195380 4.071583 3.431092 4.339568 15 H 0.998712 2.006685 2.409201 3.218456 3.707443 16 C 4.227911 3.801804 4.784642 2.524229 1.524513 17 Cl 3.928263 4.521143 5.717022 4.010278 2.720580 18 H 5.069805 3.984355 4.319175 2.888756 3.285217 19 H 4.485862 3.526764 3.865749 2.685770 3.265563 20 H 4.716996 4.537176 5.607112 3.362479 2.124362 21 H 4.708361 4.039949 4.866952 2.667297 2.126316 22 N 4.876832 4.402253 5.273752 3.223838 2.465617 23 C 5.008774 4.845699 5.767738 3.957852 3.076161 24 C 6.206336 5.889259 6.634403 5.026659 4.402961 25 C 7.006969 6.495088 7.209441 5.399597 4.794297 26 C 6.182403 5.556190 6.296402 4.309835 3.729506 27 H 4.200412 4.187146 5.106449 3.563352 2.801446 28 H 5.463030 5.494188 6.518651 4.608684 3.482017 29 H 6.035427 5.612460 6.198430 4.892431 4.557018 30 H 6.883259 6.719937 7.493735 5.945896 5.227784 31 H 7.677135 7.033636 7.609653 5.964691 5.561893 32 H 7.711791 7.303132 8.101166 6.168180 5.383224 33 N 6.871848 6.100050 6.750902 4.769798 4.337268 34 H 6.503034 5.687610 6.333297 4.318319 3.950810 11 12 13 14 15 11 C 0.000000 12 H 4.352336 0.000000 13 H 4.766833 2.447612 0.000000 14 H 5.622716 2.394332 1.760173 0.000000 15 H 3.279345 4.211031 5.027903 6.167964 0.000000 16 C 2.494660 4.037771 3.946810 4.277585 5.224514 17 Cl 1.733138 5.978088 6.216608 7.005450 4.713674 18 H 4.575247 3.031218 1.762020 1.752555 5.891363 19 H 4.274591 2.174027 4.013592 3.370449 5.226422 20 H 2.595600 4.948000 5.025481 5.302753 5.704330 21 H 3.277338 3.660843 3.830367 3.711140 5.688163 22 N 3.333460 4.633006 3.699018 4.268924 5.823711 23 C 3.444310 5.614554 4.443283 5.398971 5.868930 24 C 4.912958 6.383428 4.691741 5.632889 7.005310 25 C 5.550133 6.495900 4.894551 5.361771 7.888269 26 C 4.686413 5.321586 4.142315 4.336469 7.123564 27 H 2.946116 5.331566 4.227778 5.450984 4.985131 28 H 3.561166 6.389323 5.456402 6.314334 6.326999 29 H 5.150171 6.056516 4.089481 5.207429 6.756112 30 H 5.534422 7.398978 5.692894 6.701282 7.633333 31 H 6.427033 6.790177 4.961111 5.309361 8.526057 32 H 6.013072 7.364568 5.922339 6.297038 8.616676 33 N 5.426636 5.406546 4.479050 4.158755 7.826795 34 H 5.103021 4.825734 4.351837 3.807284 7.465364 16 17 18 19 20 16 C 0.000000 17 Cl 3.093929 0.000000 18 H 2.876472 5.718532 0.000000 19 H 3.509730 5.541978 3.572220 0.000000 20 H 1.081174 2.574418 3.911540 4.099095 0.000000 21 H 1.071974 4.000665 2.536887 2.787995 1.736665 22 N 1.446566 3.790149 2.561831 4.575483 2.095677 23 C 2.527239 3.562102 3.711831 5.808003 2.836269 24 C 3.727913 5.067248 3.965529 6.779019 4.135040 25 C 3.703562 5.680612 3.697321 6.573542 4.072219 26 C 2.465335 5.012760 2.648728 5.134627 2.954870 27 H 2.830940 3.310167 3.921555 5.800893 3.235396 28 H 2.833633 3.137779 4.614398 6.309565 2.714791 29 H 4.125802 5.605046 3.703103 6.786705 4.742168 30 H 4.598432 5.434900 5.046417 7.790643 4.840333 31 H 4.512547 6.699603 3.823850 7.011242 4.997739 32 H 4.162257 5.841082 4.624529 7.206848 4.265119 33 N 2.975863 5.803722 2.756345 4.916300 3.414419 34 H 2.628918 5.590269 2.606177 4.050128 3.078585 21 22 23 24 25 21 H 0.000000 22 N 2.063492 0.000000 23 C 3.408634 1.460367 0.000000 24 C 4.380290 2.333171 1.527458 0.000000 25 C 4.045938 2.345091 2.384551 1.528698 0.000000 26 C 2.590784 1.391034 2.346660 2.403027 1.513931 27 H 3.780001 2.104324 1.081195 2.187087 3.329132 28 H 3.780660 2.113430 1.087940 2.174159 2.840053 29 H 4.698204 2.760741 2.150930 1.084605 2.162234 30 H 5.330720 3.279429 2.182184 1.082598 2.197530 31 H 4.689371 3.169238 3.324840 2.211086 1.080865 32 H 4.527569 2.964698 2.869963 2.172810 1.085734 33 N 2.630228 2.402713 3.570848 3.602429 2.428339 34 H 1.970297 2.572995 3.944217 4.289563 3.308760 26 27 28 29 30 26 C 0.000000 27 H 3.234962 0.000000 28 H 2.865719 1.753584 0.000000 29 H 2.888891 2.396589 3.037434 0.000000 30 H 3.330922 2.710746 2.423171 1.754852 0.000000 31 H 2.149574 4.152693 3.889608 2.426356 2.783545 32 H 2.116463 3.907720 2.923425 3.036583 2.423646 33 N 1.256657 4.421589 3.997227 4.001501 4.493128 34 H 1.903477 4.672932 4.345607 4.648220 5.230343 31 32 33 34 31 H 0.000000 32 H 1.748918 0.000000 33 N 2.685984 2.806477 0.000000 34 H 3.642196 3.689614 1.002925 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.348542 2.476197 -0.328395 2 6 0 0.858095 2.787411 0.531486 3 8 0 0.006145 2.525813 -1.671368 4 8 0 -3.555419 -1.902085 0.338698 5 6 0 -2.753208 -1.028151 0.247007 6 7 0 -2.977418 0.210405 0.803978 7 6 0 -2.192484 1.323027 0.713297 8 8 0 -2.532185 2.356176 1.214722 9 7 0 -1.015994 1.178768 -0.000144 10 6 0 -0.605796 -0.073767 -0.474426 11 6 0 -1.438832 -1.123724 -0.400145 12 1 0 -1.107364 3.207006 -0.121338 13 1 0 0.584626 2.712915 1.576852 14 1 0 1.167498 3.805275 0.325765 15 1 0 -3.834932 0.331433 1.301420 16 6 0 0.799688 -0.230399 -1.043828 17 17 0 -1.053145 -2.707569 -0.988743 18 1 0 1.690261 2.132522 0.333698 19 1 0 -0.760295 2.691446 -2.204636 20 1 0 0.793418 -1.071149 -1.723561 21 1 0 1.038612 0.644691 -1.615022 22 7 0 1.792191 -0.404644 -0.005980 23 6 0 1.716793 -1.532914 0.918138 24 6 0 2.952244 -1.331818 1.793551 25 6 0 3.964311 -0.743520 0.810421 26 6 0 3.114788 -0.030729 -0.220223 27 1 0 0.794672 -1.508580 1.482127 28 1 0 1.758207 -2.481076 0.386268 29 1 0 2.730146 -0.620426 2.581562 30 1 0 3.283896 -2.253282 2.254995 31 1 0 4.681726 -0.065600 1.250884 32 1 0 4.519671 -1.525300 0.301291 33 7 0 3.610851 0.745383 -1.075067 34 1 0 2.945249 1.130507 -1.718893 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4512628 0.2980947 0.2181297 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.2912504474 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.53D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000120 0.000350 -0.000192 Ang= 0.05 deg. ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 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) = -1327.16362810 A.U. after 11 cycles NFock= 11 Conv=0.47D-08 -V/T= 2.0011 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 0.000335641 -0.000456472 0.000094429 2 6 -0.000061322 0.000108214 0.000049072 3 8 0.000050165 0.000192598 0.000025780 4 8 -0.000039994 0.000030823 0.000064251 5 6 -0.000026310 -0.000074222 -0.000085782 6 7 -0.000018444 0.000005584 0.000120221 7 6 -0.000017106 -0.000091401 -0.000049238 8 8 0.000082526 -0.000006893 0.000004973 9 7 -0.000323819 0.000163980 -0.000118260 10 6 0.000078290 0.000137954 0.000087292 11 6 0.000060621 -0.000007909 -0.000010787 12 1 -0.000066815 0.000061134 -0.000043424 13 1 -0.000001450 -0.000014470 0.000019561 14 1 0.000012724 -0.000002740 0.000000144 15 1 0.000043688 -0.000019895 -0.000025510 16 6 -0.000016098 -0.000072677 -0.000201777 17 17 -0.000006611 -0.000054583 -0.000009688 18 1 0.000012536 0.000010152 -0.000054460 19 1 -0.000062284 -0.000020554 0.000024291 20 1 -0.000009756 -0.000008075 -0.000004441 21 1 -0.000019159 0.000063406 0.000035162 22 7 0.000045496 0.000137939 0.000100298 23 6 -0.000054851 -0.000010916 -0.000065358 24 6 0.000037464 -0.000021371 0.000001486 25 6 -0.000002601 0.000001386 -0.000063342 26 6 0.000022889 -0.000090485 0.000100107 27 1 -0.000021675 0.000005954 0.000013955 28 1 0.000006926 -0.000003651 0.000022514 29 1 0.000007068 -0.000001334 -0.000015414 30 1 -0.000010375 0.000022342 0.000004870 31 1 0.000004721 0.000002190 -0.000011584 32 1 -0.000008080 -0.000003255 0.000003184 33 7 -0.000014195 0.000001164 -0.000035157 34 1 -0.000019810 0.000016085 0.000022634 ------------------------------------------------------------------- Cartesian Forces: Max 0.000456472 RMS 0.000086817 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000275101 RMS 0.000041970 Search for a local minimum. Step number 26 out of a maximum of 197 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 20 21 22 23 24 25 26 DE= -1.11D-05 DEPred=-1.18D-05 R= 9.37D-01 TightC=F SS= 1.41D+00 RLast= 4.26D-02 DXNew= 2.6785D+00 1.2795D-01 Trust test= 9.37D-01 RLast= 4.26D-02 DXMaxT set to 1.59D+00 ITU= 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 1 ITU= -1 0 1 0 1 0 Eigenvalues --- 0.00232 0.00316 0.00412 0.00447 0.00820 Eigenvalues --- 0.00852 0.01062 0.01176 0.01323 0.01353 Eigenvalues --- 0.01657 0.01878 0.02059 0.02276 0.02603 Eigenvalues --- 0.03100 0.03235 0.03662 0.03697 0.04554 Eigenvalues --- 0.05010 0.05330 0.05391 0.05467 0.05765 Eigenvalues --- 0.05877 0.05896 0.06215 0.06368 0.06602 Eigenvalues --- 0.06729 0.06883 0.07303 0.08275 0.08592 Eigenvalues --- 0.09003 0.09473 0.10195 0.10945 0.13845 Eigenvalues --- 0.15976 0.16003 0.16048 0.16456 0.16627 Eigenvalues --- 0.17664 0.20527 0.21080 0.21422 0.21731 Eigenvalues --- 0.22369 0.23027 0.23744 0.24845 0.25010 Eigenvalues --- 0.25216 0.25814 0.26275 0.27091 0.28024 Eigenvalues --- 0.28390 0.29243 0.29936 0.31790 0.32005 Eigenvalues --- 0.32512 0.33727 0.33806 0.33830 0.33851 Eigenvalues --- 0.33861 0.33910 0.33951 0.34084 0.34360 Eigenvalues --- 0.34481 0.35080 0.35620 0.36256 0.37195 Eigenvalues --- 0.37979 0.39279 0.39533 0.41086 0.43220 Eigenvalues --- 0.47471 0.48776 0.49385 0.51233 0.56045 Eigenvalues --- 0.57040 0.64368 0.76630 0.85739 0.89350 Eigenvalues --- 0.96853 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 RFO step: Lambda=-3.41331491D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.13860 0.03623 -0.15329 -0.15442 0.21687 RFO-DIIS coefs: -0.08950 0.00550 Iteration 1 RMS(Cart)= 0.00164762 RMS(Int)= 0.00000597 Iteration 2 RMS(Cart)= 0.00000228 RMS(Int)= 0.00000575 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000575 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86106 -0.00000 0.00005 -0.00010 -0.00005 2.86101 R2 2.62654 -0.00017 -0.00098 0.00009 -0.00089 2.62565 R3 2.82611 0.00028 0.00064 0.00054 0.00118 2.82729 R4 2.02894 -0.00001 0.00009 -0.00012 -0.00003 2.02892 R5 2.04678 -0.00000 0.00006 -0.00013 -0.00006 2.04672 R6 2.04763 0.00001 -0.00010 0.00015 0.00005 2.04768 R7 2.03574 -0.00002 0.00018 -0.00016 0.00002 2.03575 R8 1.79199 -0.00006 0.00011 -0.00013 -0.00003 1.79197 R9 2.24846 -0.00001 -0.00004 0.00001 -0.00003 2.24843 R10 2.60104 0.00007 0.00011 0.00006 0.00017 2.60121 R11 2.77444 -0.00004 0.00004 -0.00015 -0.00012 2.77433 R12 2.57882 -0.00003 0.00003 -0.00005 -0.00003 2.57879 R13 1.88729 -0.00001 -0.00000 -0.00001 -0.00002 1.88727 R14 2.26312 0.00006 0.00010 0.00001 0.00011 2.26323 R15 2.61434 -0.00012 -0.00025 0.00002 -0.00022 2.61412 R16 2.64700 -0.00009 -0.00020 -0.00013 -0.00034 2.64666 R17 2.53665 -0.00007 0.00004 -0.00002 0.00003 2.53668 R18 2.88091 -0.00005 -0.00000 -0.00003 -0.00004 2.88088 R19 3.27516 0.00003 0.00020 0.00001 0.00021 3.27537 R20 2.04312 0.00001 0.00003 -0.00004 -0.00001 2.04311 R21 2.02574 -0.00004 0.00001 -0.00011 -0.00010 2.02564 R22 2.73361 0.00007 -0.00002 0.00024 0.00022 2.73383 R23 2.75969 0.00003 0.00012 0.00004 0.00016 2.75985 R24 2.62867 0.00007 0.00021 0.00021 0.00042 2.62909 R25 2.88648 -0.00002 -0.00010 -0.00003 -0.00013 2.88635 R26 2.04316 0.00000 -0.00006 0.00005 -0.00001 2.04315 R27 2.05591 -0.00002 0.00014 -0.00018 -0.00004 2.05587 R28 2.88882 -0.00000 -0.00014 0.00002 -0.00011 2.88871 R29 2.04961 -0.00001 0.00005 -0.00008 -0.00003 2.04958 R30 2.04581 0.00001 -0.00000 0.00003 0.00003 2.04584 R31 2.86092 -0.00004 -0.00007 -0.00008 -0.00015 2.86076 R32 2.04254 -0.00001 -0.00002 0.00002 -0.00000 2.04254 R33 2.05174 0.00001 0.00013 -0.00010 0.00002 2.05176 R34 2.37474 -0.00004 -0.00003 -0.00003 -0.00006 2.37468 R35 1.89525 -0.00003 -0.00004 -0.00003 -0.00007 1.89518 A1 1.91564 0.00006 -0.00063 0.00068 0.00005 1.91570 A2 1.99255 -0.00007 -0.00069 0.00021 -0.00048 1.99208 A3 1.89002 0.00004 0.00027 0.00005 0.00031 1.89033 A4 1.93578 0.00004 0.00083 -0.00031 0.00052 1.93631 A5 1.92026 -0.00001 0.00059 -0.00024 0.00034 1.92061 A6 1.80570 -0.00006 -0.00029 -0.00048 -0.00077 1.80493 A7 1.91006 0.00005 0.00002 0.00018 0.00021 1.91027 A8 1.88897 -0.00000 -0.00007 0.00022 0.00015 1.88913 A9 1.96754 -0.00009 0.00006 -0.00058 -0.00051 1.96702 A10 1.89647 -0.00001 0.00008 -0.00003 0.00005 1.89652 A11 1.90756 0.00001 -0.00035 0.00031 -0.00004 1.90752 A12 1.89191 0.00003 0.00026 -0.00010 0.00016 1.89207 A13 1.92127 0.00001 0.00081 -0.00088 -0.00006 1.92121 A14 2.11756 -0.00000 -0.00006 0.00002 -0.00004 2.11752 A15 2.20154 0.00004 0.00004 0.00011 0.00015 2.20169 A16 1.96359 -0.00004 0.00000 -0.00012 -0.00011 1.96348 A17 2.23074 0.00001 -0.00023 0.00032 0.00013 2.23087 A18 2.03808 0.00001 0.00005 -0.00009 -0.00001 2.03807 A19 2.01326 -0.00002 0.00004 -0.00026 -0.00018 2.01308 A20 2.10876 0.00004 -0.00003 -0.00000 -0.00004 2.10872 A21 2.02461 -0.00000 0.00020 -0.00015 0.00005 2.02466 A22 2.14969 -0.00004 -0.00015 0.00015 -0.00001 2.14968 A23 1.98479 -0.00013 0.00007 -0.00030 -0.00022 1.98456 A24 2.17821 0.00013 -0.00022 0.00027 0.00005 2.17825 A25 2.11401 0.00000 0.00014 -0.00012 0.00002 2.11403 A26 2.09319 0.00006 -0.00008 0.00036 0.00028 2.09348 A27 2.08096 0.00007 0.00062 -0.00063 0.00000 2.08096 A28 2.10882 -0.00013 -0.00059 0.00030 -0.00028 2.10854 A29 2.12828 -0.00002 0.00008 -0.00016 -0.00008 2.12820 A30 1.99151 0.00008 0.00004 0.00001 0.00006 1.99157 A31 2.16266 -0.00006 -0.00014 0.00014 -0.00000 2.16266 A32 1.88532 0.00003 -0.00032 0.00087 0.00056 1.88588 A33 1.89718 -0.00001 0.00051 -0.00064 -0.00013 1.89705 A34 1.95730 -0.00006 -0.00087 0.00019 -0.00069 1.95661 A35 1.87664 0.00002 0.00016 0.00023 0.00040 1.87704 A36 1.94054 0.00000 0.00039 -0.00001 0.00039 1.94093 A37 1.90467 0.00002 0.00016 -0.00064 -0.00048 1.90418 A38 2.10789 -0.00003 0.00035 -0.00060 -0.00025 2.10765 A39 2.10537 0.00001 -0.00021 -0.00039 -0.00059 2.10478 A40 1.93288 0.00000 -0.00026 -0.00014 -0.00039 1.93249 A41 1.79178 -0.00002 0.00005 -0.00036 -0.00030 1.79148 A42 1.93557 0.00002 -0.00019 0.00037 0.00018 1.93574 A43 1.94121 0.00002 0.00005 0.00004 0.00009 1.94130 A44 1.96915 -0.00001 0.00014 -0.00022 -0.00008 1.96907 A45 1.94350 -0.00000 0.00010 -0.00008 0.00001 1.94351 A46 1.88294 0.00000 -0.00014 0.00024 0.00010 1.88304 A47 1.79012 0.00002 -0.00020 0.00013 -0.00005 1.79006 A48 1.91465 -0.00001 0.00018 -0.00021 -0.00003 1.91462 A49 1.96060 -0.00001 -0.00002 -0.00006 -0.00009 1.96052 A50 1.92880 0.00000 0.00045 -0.00036 0.00009 1.92889 A51 1.98107 -0.00000 -0.00044 0.00052 0.00007 1.98114 A52 1.88739 0.00000 0.00006 -0.00005 0.00001 1.88740 A53 1.82090 0.00002 0.00010 -0.00027 -0.00015 1.82075 A54 2.00283 0.00000 0.00043 -0.00027 0.00015 2.00298 A55 1.94241 -0.00001 -0.00040 0.00037 -0.00002 1.94238 A56 1.93325 -0.00002 0.00029 -0.00036 -0.00007 1.93318 A57 1.88263 0.00001 -0.00038 0.00048 0.00010 1.88273 A58 1.87884 0.00000 -0.00008 0.00008 0.00000 1.87884 A59 1.87771 -0.00002 -0.00006 0.00007 0.00001 1.87772 A60 2.27327 -0.00000 0.00011 -0.00012 -0.00002 2.27326 A61 2.13219 0.00002 -0.00004 0.00005 0.00001 2.13220 A62 1.99530 -0.00003 0.00022 -0.00032 -0.00010 1.99520 D1 -3.10684 0.00001 0.00044 -0.00044 0.00000 -3.10684 D2 1.11234 -0.00001 0.00037 -0.00064 -0.00027 1.11207 D3 -0.98007 0.00000 0.00005 -0.00031 -0.00025 -0.98032 D4 -0.92116 0.00005 0.00053 -0.00015 0.00038 -0.92078 D5 -2.98517 0.00003 0.00046 -0.00035 0.00011 -2.98506 D6 1.20561 0.00005 0.00014 -0.00001 0.00013 1.20573 D7 1.07976 -0.00003 -0.00005 -0.00059 -0.00064 1.07912 D8 -0.98425 -0.00005 -0.00012 -0.00079 -0.00091 -0.98516 D9 -3.07666 -0.00004 -0.00044 -0.00045 -0.00089 -3.07755 D10 -2.73418 -0.00005 -0.00334 -0.00044 -0.00378 -2.73796 D11 1.33107 -0.00003 -0.00259 -0.00100 -0.00358 1.32749 D12 -0.65609 0.00002 -0.00304 -0.00010 -0.00314 -0.65924 D13 1.81105 -0.00001 0.00035 0.00095 0.00130 1.81235 D14 -1.44913 -0.00003 0.00029 -0.00048 -0.00020 -1.44933 D15 -2.29715 0.00005 -0.00035 0.00177 0.00142 -2.29573 D16 0.72585 0.00002 -0.00041 0.00034 -0.00007 0.72578 D17 -0.23894 0.00001 0.00056 0.00108 0.00164 -0.23730 D18 2.78406 -0.00001 0.00050 -0.00035 0.00015 2.78421 D19 -3.06799 -0.00002 -0.00086 0.00000 -0.00085 -3.06884 D20 0.02032 -0.00005 -0.00140 -0.00094 -0.00234 0.01798 D21 0.10522 -0.00001 -0.00033 -0.00046 -0.00079 0.10443 D22 -3.08965 -0.00004 -0.00087 -0.00140 -0.00228 -3.09193 D23 3.12222 0.00005 0.00241 0.00074 0.00315 3.12537 D24 -0.05902 0.00003 0.00187 0.00057 0.00245 -0.05657 D25 -0.05282 0.00004 0.00185 0.00123 0.00308 -0.04974 D26 3.04913 0.00002 0.00131 0.00106 0.00238 3.05151 D27 3.09783 -0.00003 -0.00108 -0.00070 -0.00178 3.09604 D28 -0.02697 -0.00003 -0.00162 -0.00079 -0.00241 -0.02938 D29 0.00887 -0.00000 -0.00055 0.00022 -0.00032 0.00855 D30 -3.11593 -0.00000 -0.00109 0.00014 -0.00094 -3.11687 D31 2.91743 0.00003 0.00207 0.00006 0.00213 2.91956 D32 -0.11043 0.00004 0.00216 0.00140 0.00356 -0.10687 D33 -0.20694 0.00003 0.00152 -0.00003 0.00149 -0.20544 D34 3.04839 0.00004 0.00161 0.00132 0.00292 3.05131 D35 -2.85666 0.00002 -0.00069 0.00086 0.00017 -2.85649 D36 0.30727 0.00002 0.00056 -0.00080 -0.00024 0.30703 D37 0.15806 -0.00001 -0.00077 -0.00068 -0.00145 0.15661 D38 -2.96119 -0.00002 0.00049 -0.00234 -0.00185 -2.96305 D39 -0.07015 -0.00003 -0.00136 -0.00070 -0.00206 -0.07221 D40 3.11505 -0.00001 -0.00078 -0.00052 -0.00129 3.11376 D41 3.04874 -0.00002 -0.00262 0.00097 -0.00164 3.04710 D42 -0.04924 0.00000 -0.00204 0.00116 -0.00088 -0.05012 D43 -2.71493 0.00001 -0.00051 0.00168 0.00117 -2.71376 D44 -0.68363 0.00004 -0.00021 0.00208 0.00187 -0.68176 D45 1.42383 0.00002 -0.00022 0.00096 0.00074 1.42457 D46 0.44920 0.00000 0.00075 0.00000 0.00075 0.44996 D47 2.48050 0.00003 0.00105 0.00040 0.00145 2.48196 D48 -1.69522 0.00001 0.00104 -0.00072 0.00032 -1.69490 D49 1.04789 0.00003 0.00003 0.00110 0.00112 1.04901 D50 -2.68234 0.00000 -0.00025 -0.00116 -0.00141 -2.68375 D51 -1.06501 0.00002 0.00076 -0.00015 0.00061 -1.06440 D52 1.48794 -0.00000 0.00048 -0.00240 -0.00192 1.48602 D53 -3.13216 -0.00001 0.00022 -0.00003 0.00019 -3.13197 D54 -0.57921 -0.00004 -0.00006 -0.00228 -0.00234 -0.58155 D55 3.12097 -0.00001 0.00017 -0.00126 -0.00109 3.11988 D56 -1.05465 -0.00002 0.00027 -0.00154 -0.00128 -1.05592 D57 1.04083 -0.00000 -0.00000 -0.00097 -0.00098 1.03985 D58 0.51560 0.00001 0.00042 0.00085 0.00128 0.51688 D59 2.62317 -0.00000 0.00052 0.00057 0.00109 2.62426 D60 -1.56454 0.00002 0.00025 0.00114 0.00139 -1.56315 D61 -2.81235 0.00003 -0.00014 0.00150 0.00136 -2.81099 D62 0.33254 0.00002 -0.00057 0.00113 0.00056 0.33309 D63 -0.20609 -0.00000 -0.00020 -0.00068 -0.00089 -0.20698 D64 2.93879 -0.00001 -0.00064 -0.00105 -0.00169 2.93710 D65 -0.59967 -0.00001 -0.00045 -0.00079 -0.00124 -0.60091 D66 1.45042 -0.00000 0.00004 -0.00122 -0.00118 1.44923 D67 -2.73304 -0.00001 0.00022 -0.00146 -0.00125 -2.73429 D68 -2.68397 -0.00001 -0.00032 -0.00090 -0.00122 -2.68519 D69 -0.63389 -0.00000 0.00017 -0.00133 -0.00117 -0.63506 D70 1.46584 -0.00002 0.00035 -0.00158 -0.00123 1.46461 D71 1.47888 -0.00001 -0.00031 -0.00099 -0.00130 1.47758 D72 -2.75422 0.00000 0.00018 -0.00143 -0.00124 -2.75547 D73 -0.65449 -0.00001 0.00036 -0.00167 -0.00131 -0.65580 D74 0.48665 0.00002 0.00030 0.00042 0.00072 0.48737 D75 2.60520 0.00001 0.00098 -0.00037 0.00061 2.60581 D76 -1.53909 0.00000 0.00088 -0.00017 0.00071 -1.53838 D77 -1.55335 0.00002 0.00001 0.00075 0.00075 -1.55259 D78 0.56521 0.00000 0.00069 -0.00004 0.00064 0.56585 D79 2.70410 -0.00000 0.00058 0.00016 0.00074 2.70484 D80 2.60608 0.00002 -0.00009 0.00071 0.00063 2.60670 D81 -1.55855 -0.00000 0.00059 -0.00008 0.00051 -1.55804 D82 0.58034 -0.00000 0.00049 0.00012 0.00061 0.58095 D83 -0.19138 -0.00000 -0.00006 0.00018 0.00011 -0.19127 D84 2.94724 0.00001 0.00033 0.00051 0.00084 2.94807 D85 -2.35544 -0.00000 -0.00081 0.00088 0.00007 -2.35537 D86 0.78318 0.00001 -0.00041 0.00121 0.00079 0.78397 D87 1.87564 0.00000 -0.00064 0.00069 0.00005 1.87569 D88 -1.26892 0.00001 -0.00025 0.00103 0.00078 -1.26815 D89 -0.03682 0.00002 -0.00066 0.00087 0.00021 -0.03661 D90 3.10849 0.00001 -0.00115 0.00046 -0.00069 3.10779 Item Value Threshold Converged? Maximum Force 0.000275 0.000450 YES RMS Force 0.000042 0.000300 YES Maximum Displacement 0.008351 0.001800 NO RMS Displacement 0.001648 0.001200 NO Predicted change in Energy=-1.631154D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.724782 -4.988166 2.654170 2 6 0 6.406918 -5.317282 4.097356 3 8 0 7.158147 -6.132430 1.995852 4 8 0 3.313218 -2.364387 -0.720539 5 6 0 3.941163 -2.983596 0.078167 6 7 0 4.918604 -2.384618 0.840134 7 6 0 5.765605 -2.977173 1.731033 8 8 0 6.606134 -2.338465 2.296659 9 7 0 5.599427 -4.338426 1.912652 10 6 0 4.536044 -5.024390 1.312467 11 6 0 3.764748 -4.403734 0.405934 12 1 0 7.496081 -4.241408 2.640537 13 1 0 6.036437 -4.430281 4.596381 14 1 0 7.323081 -5.631398 4.583291 15 1 0 5.061647 -1.406171 0.700181 16 6 0 4.253196 -6.465065 1.722999 17 17 0 2.449610 -5.164720 -0.428011 18 1 0 5.682291 -6.108609 4.193454 19 1 0 7.680708 -5.895445 1.240883 20 1 0 3.736767 -6.950816 0.906748 21 1 0 5.187189 -6.972361 1.862010 22 7 0 3.486048 -6.541701 2.947130 23 6 0 2.158224 -5.940023 3.035379 24 6 0 1.727781 -6.287228 4.459139 25 6 0 2.359104 -7.663169 4.671166 26 6 0 3.575528 -7.659919 3.770032 27 1 0 2.205060 -4.874247 2.859605 28 1 0 1.481081 -6.370465 2.300693 29 1 0 2.145483 -5.566262 5.153453 30 1 0 0.651500 -6.283241 4.575975 31 1 0 2.639267 -7.880246 5.692269 32 1 0 1.697889 -8.456253 4.335520 33 7 0 4.456959 -8.553366 3.832766 34 1 0 5.195280 -8.452941 3.161514 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513983 0.000000 3 O 1.389434 2.375948 0.000000 4 O 5.469154 6.442258 6.029959 0.000000 5 C 4.289828 5.261171 4.893021 1.189818 0.000000 6 N 3.651229 4.628725 4.516341 2.239056 1.376502 7 C 2.411700 3.389230 3.459039 3.521352 2.461828 8 O 2.676343 3.486481 3.845696 4.466257 3.527033 9 N 1.496140 2.526486 2.378020 4.007153 2.819705 10 C 2.567499 3.367723 2.927489 3.564272 2.458093 11 C 3.762701 4.630575 4.126910 2.373133 1.468110 12 H 1.073656 2.113316 2.026273 5.684750 4.559086 13 H 2.134769 1.083075 3.304284 6.320876 5.186263 14 H 2.119721 1.083585 2.640658 7.408305 6.224497 15 H 4.406221 5.352321 5.330253 2.448188 2.032401 16 C 3.026061 3.404922 2.936637 4.865182 3.863090 17 Cl 5.273339 6.013527 5.383483 2.945040 2.690400 18 H 2.170616 1.077273 2.647295 6.616572 5.452780 19 H 1.932441 3.180606 0.948267 5.948992 4.880058 20 H 3.979159 4.469689 3.682628 4.884955 4.057975 21 H 2.632249 3.037070 2.146642 5.604887 4.543668 22 N 3.603983 3.369525 3.815330 5.561620 4.593276 23 C 4.680257 4.423460 5.110466 5.312825 4.545815 24 C 5.469506 4.792285 5.964949 6.688151 5.916583 25 C 5.503004 4.713517 5.703620 7.619575 6.745143 26 C 4.277991 3.689425 4.279731 6.948143 5.969217 27 H 4.525823 4.402717 5.182873 4.510526 3.784840 28 H 5.434344 5.347996 5.690225 5.341651 4.739463 29 H 5.248865 4.397403 5.951284 6.791126 5.971026 30 H 6.500409 5.855509 7.001160 7.106000 6.476096 31 H 5.855391 4.827807 6.094148 8.485460 7.562424 32 H 6.334368 5.664346 6.378763 8.079843 7.287476 33 N 4.386657 3.787425 4.065908 7.768153 6.736868 34 H 3.821183 3.489445 3.255209 7.462103 6.402622 6 7 8 9 10 6 N 0.000000 7 C 1.364637 0.000000 8 O 2.229653 1.197651 0.000000 9 N 2.330490 1.383333 2.271731 0.000000 10 C 2.708846 2.424483 3.531019 1.400554 0.000000 11 C 2.365744 2.791844 3.989191 2.374976 1.342354 12 H 3.651371 2.328096 2.128720 2.033844 3.337461 13 H 4.420824 3.224142 3.160533 2.720627 3.658993 14 H 5.507660 4.195952 4.072605 3.431483 4.339853 15 H 0.998702 2.006554 2.409015 3.218293 3.707110 16 C 4.227560 3.801688 4.784791 2.524064 1.524494 17 Cl 3.928497 4.521356 5.717362 4.010338 2.720692 18 H 5.069130 3.984513 4.320336 2.888333 3.284737 19 H 4.485056 3.524794 3.862833 2.684643 3.263858 20 H 4.717133 4.537122 5.607040 3.362429 2.124752 21 H 4.707840 4.038966 4.865729 2.666481 2.126165 22 N 4.875755 4.402401 5.274963 3.223498 2.465126 23 C 5.007964 4.846958 5.770687 3.958221 3.075848 24 C 6.205555 5.890929 6.638326 5.027133 4.402573 25 C 7.006494 6.496706 7.213045 5.400279 4.794068 26 C 6.181987 5.557163 6.298672 4.310261 3.729374 27 H 4.199981 4.189278 5.110435 3.564485 2.801726 28 H 5.462305 5.495097 6.520982 4.608745 3.481567 29 H 6.034715 5.614412 6.203011 4.892862 4.556488 30 H 6.882147 6.721448 7.497613 5.946224 5.227321 31 H 7.677273 7.036015 7.614298 5.965949 5.562045 32 H 7.710738 7.304108 8.104021 6.168370 5.382533 33 N 6.871857 6.101128 6.753042 4.770513 4.337261 34 H 6.503069 5.688197 6.334454 4.318823 3.950763 11 12 13 14 15 11 C 0.000000 12 H 4.352315 0.000000 13 H 4.766667 2.447766 0.000000 14 H 5.623095 2.395056 1.760201 0.000000 15 H 3.279316 4.210703 5.027507 6.168077 0.000000 16 C 2.494459 4.037676 3.946722 4.277904 5.224189 17 Cl 1.733249 5.977906 6.216851 7.005830 4.714048 18 H 4.574808 3.031142 1.761974 1.752683 5.890762 19 H 4.272830 2.174617 4.013689 3.371841 5.225459 20 H 2.596001 4.947662 5.025432 5.302781 5.704478 21 H 3.277398 3.659944 3.828860 3.710200 5.687537 22 N 3.332604 4.633110 3.699000 4.269485 5.822796 23 C 3.443121 5.615506 4.444838 5.400651 5.868461 24 C 4.911746 6.384824 4.693783 5.634972 7.004937 25 C 5.549050 6.497725 4.896931 5.364409 7.888123 26 C 4.685691 5.322848 4.143608 4.338254 7.123335 27 H 2.945252 5.333234 4.230005 5.453303 4.985053 28 H 3.559955 6.389726 5.457633 6.315492 6.326635 29 H 5.149021 6.057960 4.091492 5.209304 6.755886 30 H 5.533002 7.400223 5.694859 6.703354 7.632627 31 H 6.426366 6.792853 4.964271 5.312746 8.526577 32 H 6.011361 7.365930 5.924483 6.299523 8.615928 33 N 5.426028 5.408388 4.480813 4.161231 7.826949 34 H 5.102520 4.827227 4.352951 3.809212 7.465453 16 17 18 19 20 16 C 0.000000 17 Cl 3.093649 0.000000 18 H 2.876199 5.718311 0.000000 19 H 3.507811 5.539273 3.571664 0.000000 20 H 1.081166 2.574586 3.911114 4.096355 0.000000 21 H 1.071922 4.000763 2.535117 2.786249 1.736870 22 N 1.446681 3.789704 2.562103 4.574287 2.096043 23 C 2.527235 3.561049 3.713301 5.806895 2.836295 24 C 3.727708 5.066093 3.967447 6.778496 4.134714 25 C 3.703340 5.679089 3.699789 6.573520 4.071394 26 C 2.465209 5.011713 2.650339 5.134439 2.954187 27 H 2.831508 3.309471 3.923511 5.800503 3.236035 28 H 2.833249 3.136510 4.615330 6.307473 2.714408 29 H 4.125325 5.604147 3.704693 6.786404 4.741696 30 H 4.598342 5.433615 5.048334 7.789929 4.840224 31 H 4.512495 6.698349 3.826897 7.012161 4.996956 32 H 4.161693 5.838707 4.626778 7.206153 4.263783 33 N 2.975506 5.802292 2.758328 4.916804 3.412979 34 H 2.628402 5.588898 2.607293 4.050551 3.076948 21 22 23 24 25 21 H 0.000000 22 N 2.063210 0.000000 23 C 3.408393 1.460452 0.000000 24 C 4.379725 2.332901 1.527391 0.000000 25 C 4.045570 2.345207 2.384404 1.528639 0.000000 26 C 2.590509 1.391253 2.346594 2.402772 1.513849 27 H 3.780261 2.104518 1.081189 2.186966 3.329200 28 H 3.780206 2.113550 1.087918 2.174092 2.839216 29 H 4.697093 2.759792 2.150836 1.084591 2.162233 30 H 5.330382 3.279421 2.182076 1.082612 2.197539 31 H 4.689035 3.169311 3.324896 2.211136 1.080863 32 H 4.527185 2.964903 2.869440 2.172750 1.085747 33 N 2.629961 2.402877 3.570654 3.602240 2.428242 34 H 1.969998 2.572989 3.943903 4.289253 3.308577 26 27 28 29 30 26 C 0.000000 27 H 3.235279 0.000000 28 H 2.865022 1.753624 0.000000 29 H 2.888300 2.396700 3.037500 0.000000 30 H 3.330875 2.710118 2.423370 1.754857 0.000000 31 H 2.149448 4.153138 3.888910 2.426657 2.783479 32 H 2.116472 3.907213 2.921992 3.036676 2.423785 33 N 1.256624 4.421992 3.996016 4.001240 4.493033 34 H 1.903359 4.673288 4.344305 4.647795 5.230128 31 32 33 34 31 H 0.000000 32 H 1.748927 0.000000 33 N 2.686047 2.806182 0.000000 34 H 3.642239 3.689180 1.002887 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.350940 2.477125 -0.327455 2 6 0 0.854836 2.788977 0.533356 3 8 0 0.004269 2.528192 -1.669746 4 8 0 -3.550858 -1.907395 0.341982 5 6 0 -2.750900 -1.031653 0.248118 6 7 0 -2.977332 0.207060 0.804064 7 6 0 -2.194912 1.321308 0.711847 8 8 0 -2.537462 2.354674 1.211030 9 7 0 -1.017236 1.178269 0.000349 10 6 0 -0.605551 -0.073504 -0.474133 11 6 0 -1.437227 -1.124615 -0.400702 12 1 0 -1.111128 3.206378 -0.119993 13 1 0 0.581070 2.713383 1.578530 14 1 0 1.163523 3.807271 0.328544 15 1 0 -3.835341 0.327164 1.300856 16 6 0 0.800126 -0.228305 -1.043511 17 17 0 -1.049835 -2.707338 -0.991523 18 1 0 1.687468 2.134748 0.335301 19 1 0 -0.762623 2.690087 -2.203486 20 1 0 0.795200 -1.068082 -1.724445 21 1 0 1.038591 0.648028 -1.612889 22 7 0 1.792043 -0.402510 -0.004935 23 6 0 1.717416 -1.532551 0.917213 24 6 0 2.952557 -1.331572 1.792975 25 6 0 3.964537 -0.742347 0.810402 26 6 0 3.114827 -0.028459 -0.219208 27 1 0 0.795292 -1.510074 1.481263 28 1 0 1.759875 -2.479759 0.383771 29 1 0 2.729994 -0.620790 2.581386 30 1 0 3.284359 -2.253259 2.253898 31 1 0 4.682075 -0.064872 1.251347 32 1 0 4.519760 -1.523664 0.300387 33 7 0 3.610786 0.747863 -1.073873 34 1 0 2.945046 1.133219 -1.717359 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4510987 0.2981775 0.2181147 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.2808515538 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.53D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000220 0.000091 -0.000463 Ang= -0.06 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) = -1327.16363003 A.U. after 9 cycles NFock= 9 Conv=0.56D-08 -V/T= 2.0011 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 0.000116854 -0.000050240 0.000165990 2 6 -0.000070916 0.000054495 0.000021334 3 8 0.000048545 0.000004421 -0.000132876 4 8 -0.000028926 0.000031207 0.000012647 5 6 0.000030765 -0.000060304 -0.000012567 6 7 -0.000006686 -0.000005617 0.000061095 7 6 -0.000007591 0.000014309 0.000002743 8 8 0.000008843 0.000010785 -0.000030401 9 7 -0.000088341 -0.000035833 -0.000018255 10 6 0.000014820 0.000015723 -0.000070220 11 6 -0.000011985 0.000027903 -0.000006646 12 1 -0.000031337 0.000008599 -0.000018947 13 1 -0.000003093 0.000004477 0.000018790 14 1 -0.000003897 -0.000000590 -0.000018252 15 1 0.000022061 -0.000005100 -0.000021575 16 6 0.000047056 0.000026235 -0.000001452 17 17 0.000019801 -0.000018759 0.000028938 18 1 0.000013059 -0.000000516 -0.000007486 19 1 -0.000012578 -0.000036065 0.000013286 20 1 -0.000013739 0.000004804 0.000001395 21 1 0.000007976 0.000014789 -0.000021952 22 7 0.000009044 0.000021622 0.000026207 23 6 0.000005109 -0.000011154 0.000006519 24 6 -0.000058610 -0.000009508 0.000011573 25 6 0.000008984 0.000025951 -0.000006343 26 6 -0.000040428 -0.000088969 -0.000024455 27 1 -0.000001996 -0.000001764 0.000000431 28 1 0.000003169 -0.000009704 0.000015256 29 1 0.000012909 0.000002574 -0.000006784 30 1 -0.000005576 0.000014471 0.000016624 31 1 -0.000011002 0.000009621 0.000000935 32 1 0.000007720 0.000002497 -0.000002774 33 7 -0.000002805 0.000026135 -0.000017015 34 1 0.000022791 0.000013505 0.000014239 ------------------------------------------------------------------- Cartesian Forces: Max 0.000165990 RMS 0.000035652 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000093940 RMS 0.000020865 Search for a local minimum. Step number 27 out of a maximum of 197 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 20 21 22 23 24 25 26 27 DE= -1.93D-06 DEPred=-1.63D-06 R= 1.18D+00 TightC=F SS= 1.41D+00 RLast= 1.43D-02 DXNew= 2.6785D+00 4.2886D-02 Trust test= 1.18D+00 RLast= 1.43D-02 DXMaxT set to 1.59D+00 ITU= 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 1 ITU= 1 -1 0 1 0 1 0 Eigenvalues --- 0.00238 0.00343 0.00392 0.00451 0.00713 Eigenvalues --- 0.00865 0.01013 0.01140 0.01204 0.01349 Eigenvalues --- 0.01813 0.01884 0.02049 0.02249 0.02578 Eigenvalues --- 0.03152 0.03236 0.03697 0.03940 0.04592 Eigenvalues --- 0.05006 0.05363 0.05447 0.05556 0.05760 Eigenvalues --- 0.05838 0.05896 0.06239 0.06367 0.06607 Eigenvalues --- 0.06712 0.06927 0.07353 0.08291 0.08589 Eigenvalues --- 0.08857 0.09494 0.10196 0.10983 0.13914 Eigenvalues --- 0.15971 0.16005 0.16059 0.16429 0.16605 Eigenvalues --- 0.17738 0.19917 0.21217 0.21456 0.21805 Eigenvalues --- 0.22668 0.23238 0.24154 0.24852 0.24912 Eigenvalues --- 0.25267 0.25903 0.26243 0.27255 0.28022 Eigenvalues --- 0.28408 0.29111 0.30083 0.31739 0.32151 Eigenvalues --- 0.32397 0.33706 0.33777 0.33811 0.33848 Eigenvalues --- 0.33853 0.33880 0.33913 0.34087 0.34203 Eigenvalues --- 0.34495 0.35093 0.35565 0.36274 0.37152 Eigenvalues --- 0.38125 0.39157 0.39588 0.41380 0.45340 Eigenvalues --- 0.47474 0.48780 0.49452 0.51040 0.56085 Eigenvalues --- 0.56988 0.64519 0.76682 0.85406 0.89478 Eigenvalues --- 0.96495 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 RFO step: Lambda=-9.90240446D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.21658 -0.02723 -0.19274 -0.02212 0.00751 RFO-DIIS coefs: 0.04287 -0.02144 -0.00343 Iteration 1 RMS(Cart)= 0.00115985 RMS(Int)= 0.00000137 Iteration 2 RMS(Cart)= 0.00000110 RMS(Int)= 0.00000121 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000121 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86101 0.00001 0.00003 -0.00001 0.00002 2.86103 R2 2.62565 0.00009 -0.00057 0.00048 -0.00009 2.62556 R3 2.82729 0.00007 0.00056 -0.00001 0.00055 2.82784 R4 2.02892 -0.00002 0.00001 -0.00008 -0.00007 2.02885 R5 2.04672 0.00001 0.00001 -0.00001 -0.00000 2.04671 R6 2.04768 -0.00001 -0.00000 -0.00001 -0.00001 2.04767 R7 2.03575 -0.00001 0.00006 -0.00007 -0.00001 2.03574 R8 1.79197 -0.00003 -0.00002 -0.00003 -0.00004 1.79192 R9 2.24843 0.00002 -0.00004 0.00006 0.00002 2.24845 R10 2.60121 0.00001 0.00009 -0.00003 0.00006 2.60127 R11 2.77433 -0.00003 -0.00004 -0.00008 -0.00012 2.77420 R12 2.57879 -0.00003 -0.00002 -0.00004 -0.00006 2.57873 R13 1.88727 0.00000 -0.00001 0.00001 -0.00000 1.88727 R14 2.26323 -0.00000 0.00007 -0.00002 0.00005 2.26328 R15 2.61412 0.00001 -0.00014 0.00013 -0.00001 2.61411 R16 2.64666 -0.00003 -0.00019 0.00005 -0.00014 2.64653 R17 2.53668 -0.00004 0.00005 -0.00006 -0.00001 2.53667 R18 2.88088 -0.00003 0.00003 -0.00007 -0.00004 2.88083 R19 3.27537 -0.00002 0.00016 -0.00014 0.00002 3.27538 R20 2.04311 0.00000 -0.00001 0.00001 -0.00001 2.04310 R21 2.02564 -0.00000 -0.00003 -0.00001 -0.00004 2.02560 R22 2.73383 0.00006 0.00006 0.00013 0.00019 2.73402 R23 2.75985 0.00002 0.00009 0.00001 0.00010 2.75996 R24 2.62909 0.00000 0.00025 -0.00009 0.00016 2.62925 R25 2.88635 0.00000 -0.00007 0.00003 -0.00004 2.88631 R26 2.04315 -0.00000 -0.00002 0.00000 -0.00002 2.04313 R27 2.05587 -0.00001 0.00004 -0.00007 -0.00003 2.05584 R28 2.88871 0.00000 -0.00007 0.00002 -0.00005 2.88866 R29 2.04958 0.00000 0.00001 -0.00001 -0.00000 2.04958 R30 2.04584 0.00001 0.00000 0.00003 0.00003 2.04587 R31 2.86076 0.00002 -0.00009 0.00011 0.00002 2.86078 R32 2.04254 -0.00000 -0.00001 -0.00001 -0.00001 2.04252 R33 2.05176 -0.00001 0.00005 -0.00005 0.00000 2.05176 R34 2.37468 -0.00001 -0.00004 0.00001 -0.00003 2.37464 R35 1.89518 0.00001 -0.00003 0.00002 -0.00001 1.89518 A1 1.91570 0.00009 -0.00001 0.00042 0.00042 1.91611 A2 1.99208 -0.00006 -0.00041 -0.00013 -0.00054 1.99154 A3 1.89033 0.00001 0.00022 0.00001 0.00023 1.89057 A4 1.93631 -0.00003 0.00029 -0.00027 0.00003 1.93633 A5 1.92061 -0.00002 0.00019 -0.00001 0.00017 1.92078 A6 1.80493 0.00000 -0.00027 -0.00005 -0.00033 1.80461 A7 1.91027 0.00003 0.00013 0.00001 0.00014 1.91041 A8 1.88913 -0.00002 0.00006 -0.00011 -0.00006 1.88907 A9 1.96702 -0.00001 -0.00023 0.00010 -0.00013 1.96689 A10 1.89652 0.00000 0.00003 0.00001 0.00004 1.89656 A11 1.90752 -0.00000 -0.00010 0.00010 0.00001 1.90752 A12 1.89207 0.00001 0.00012 -0.00011 0.00001 1.89208 A13 1.92121 0.00005 0.00023 0.00006 0.00029 1.92150 A14 2.11752 -0.00001 -0.00003 -0.00004 -0.00007 2.11746 A15 2.20169 0.00002 0.00007 0.00003 0.00010 2.20179 A16 1.96348 -0.00001 -0.00005 0.00001 -0.00004 1.96344 A17 2.23087 0.00001 -0.00001 0.00009 0.00008 2.23095 A18 2.03807 -0.00000 0.00001 -0.00006 -0.00004 2.03803 A19 2.01308 -0.00001 -0.00005 -0.00004 -0.00008 2.01300 A20 2.10872 -0.00002 -0.00007 -0.00008 -0.00015 2.10857 A21 2.02466 -0.00001 0.00009 -0.00005 0.00004 2.02470 A22 2.14968 0.00003 -0.00001 0.00012 0.00011 2.14979 A23 1.98456 -0.00001 -0.00010 0.00005 -0.00004 1.98452 A24 2.17825 0.00003 -0.00001 0.00006 0.00005 2.17831 A25 2.11403 -0.00002 0.00006 -0.00008 -0.00003 2.11400 A26 2.09348 0.00004 0.00005 0.00013 0.00018 2.09366 A27 2.08096 -0.00001 0.00023 -0.00026 -0.00003 2.08094 A28 2.10854 -0.00002 -0.00030 0.00013 -0.00016 2.10837 A29 2.12820 -0.00001 0.00002 -0.00004 -0.00002 2.12818 A30 1.99157 0.00006 -0.00002 0.00017 0.00015 1.99171 A31 2.16266 -0.00005 -0.00002 -0.00012 -0.00014 2.16252 A32 1.88588 -0.00001 0.00008 -0.00010 -0.00002 1.88586 A33 1.89705 -0.00003 0.00026 -0.00033 -0.00006 1.89699 A34 1.95661 0.00003 -0.00057 0.00060 0.00002 1.95663 A35 1.87704 0.00001 0.00018 -0.00011 0.00007 1.87711 A36 1.94093 -0.00003 0.00019 -0.00031 -0.00012 1.94081 A37 1.90418 0.00003 -0.00010 0.00022 0.00012 1.90430 A38 2.10765 0.00000 -0.00007 0.00004 -0.00003 2.10762 A39 2.10478 0.00001 -0.00028 0.00008 -0.00020 2.10458 A40 1.93249 -0.00002 -0.00021 -0.00008 -0.00029 1.93221 A41 1.79148 0.00003 -0.00013 0.00016 0.00004 1.79152 A42 1.93574 -0.00001 0.00003 0.00001 0.00003 1.93577 A43 1.94130 -0.00001 0.00001 -0.00002 -0.00001 1.94129 A44 1.96907 -0.00001 0.00004 -0.00005 -0.00001 1.96906 A45 1.94351 -0.00001 0.00006 -0.00018 -0.00011 1.94340 A46 1.88304 0.00001 -0.00001 0.00008 0.00006 1.88310 A47 1.79006 -0.00003 -0.00005 -0.00016 -0.00020 1.78986 A48 1.91462 -0.00000 0.00006 -0.00020 -0.00015 1.91447 A49 1.96052 0.00002 -0.00006 0.00025 0.00019 1.96071 A50 1.92889 0.00001 0.00015 -0.00019 -0.00004 1.92885 A51 1.98114 0.00001 -0.00012 0.00030 0.00018 1.98132 A52 1.88740 -0.00001 0.00002 -0.00002 0.00000 1.88740 A53 1.82075 0.00002 -0.00005 0.00009 0.00004 1.82079 A54 2.00298 -0.00002 0.00020 -0.00022 -0.00001 2.00297 A55 1.94238 0.00000 -0.00012 0.00005 -0.00008 1.94230 A56 1.93318 -0.00000 0.00009 -0.00001 0.00008 1.93326 A57 1.88273 -0.00001 -0.00012 0.00007 -0.00005 1.88267 A58 1.87884 0.00001 -0.00002 0.00004 0.00001 1.87886 A59 1.87772 -0.00001 -0.00001 -0.00000 -0.00002 1.87771 A60 2.27326 -0.00003 -0.00001 -0.00009 -0.00010 2.27316 A61 2.13220 0.00004 0.00002 0.00010 0.00012 2.13232 A62 1.99520 0.00001 -0.00001 0.00004 0.00004 1.99524 D1 -3.10684 0.00001 0.00003 -0.00020 -0.00017 -3.10701 D2 1.11207 0.00001 -0.00011 -0.00015 -0.00026 1.11181 D3 -0.98032 0.00003 -0.00016 0.00000 -0.00016 -0.98048 D4 -0.92078 -0.00000 0.00011 -0.00032 -0.00021 -0.92100 D5 -2.98506 -0.00000 -0.00003 -0.00027 -0.00030 -2.98536 D6 1.20573 0.00001 -0.00008 -0.00011 -0.00019 1.20554 D7 1.07912 -0.00002 -0.00032 -0.00045 -0.00077 1.07834 D8 -0.98516 -0.00002 -0.00046 -0.00040 -0.00086 -0.98602 D9 -3.07755 -0.00001 -0.00051 -0.00024 -0.00075 -3.07831 D10 -2.73796 -0.00003 0.00083 -0.00025 0.00058 -2.73738 D11 1.32749 0.00000 0.00115 -0.00020 0.00095 1.32844 D12 -0.65924 0.00003 0.00120 0.00002 0.00123 -0.65801 D13 1.81235 -0.00001 0.00018 0.00042 0.00059 1.81294 D14 -1.44933 -0.00001 -0.00028 0.00071 0.00043 -1.44890 D15 -2.29573 0.00004 0.00009 0.00067 0.00076 -2.29497 D16 0.72578 0.00003 -0.00037 0.00096 0.00059 0.72637 D17 -0.23730 0.00000 0.00029 0.00050 0.00079 -0.23651 D18 2.78421 0.00000 -0.00017 0.00079 0.00063 2.78484 D19 -3.06884 -0.00002 -0.00066 -0.00014 -0.00080 -3.06965 D20 0.01798 -0.00003 -0.00131 -0.00036 -0.00167 0.01631 D21 0.10443 -0.00001 -0.00039 -0.00013 -0.00052 0.10391 D22 -3.09193 -0.00002 -0.00104 -0.00035 -0.00139 -3.09332 D23 3.12537 0.00002 0.00192 -0.00037 0.00154 3.12691 D24 -0.05657 0.00001 0.00151 -0.00014 0.00137 -0.05520 D25 -0.04974 0.00000 0.00163 -0.00039 0.00124 -0.04850 D26 3.05151 -0.00001 0.00123 -0.00016 0.00107 3.05257 D27 3.09604 -0.00001 -0.00102 0.00014 -0.00087 3.09517 D28 -0.02938 -0.00000 -0.00133 0.00027 -0.00106 -0.03044 D29 0.00855 0.00000 -0.00038 0.00036 -0.00001 0.00853 D30 -3.11687 0.00001 -0.00069 0.00049 -0.00020 -3.11708 D31 2.91956 0.00001 0.00149 0.00039 0.00189 2.92145 D32 -0.10687 0.00001 0.00194 0.00010 0.00204 -0.10483 D33 -0.20544 0.00002 0.00117 0.00053 0.00170 -0.20375 D34 3.05131 0.00002 0.00161 0.00023 0.00185 3.05316 D35 -2.85649 -0.00001 -0.00030 -0.00091 -0.00122 -2.85771 D36 0.30703 0.00000 0.00018 -0.00117 -0.00099 0.30605 D37 0.15661 -0.00001 -0.00080 -0.00059 -0.00139 0.15522 D38 -2.96305 -0.00000 -0.00032 -0.00084 -0.00116 -2.96421 D39 -0.07221 0.00000 -0.00109 0.00074 -0.00035 -0.07256 D40 3.11376 0.00001 -0.00064 0.00047 -0.00017 3.11359 D41 3.04710 -0.00001 -0.00157 0.00099 -0.00058 3.04651 D42 -0.05012 0.00000 -0.00113 0.00073 -0.00040 -0.05052 D43 -2.71376 0.00000 0.00015 0.00018 0.00034 -2.71342 D44 -0.68176 -0.00001 0.00055 -0.00017 0.00037 -0.68139 D45 1.42457 0.00002 0.00024 0.00025 0.00049 1.42506 D46 0.44996 0.00001 0.00064 -0.00007 0.00057 0.45052 D47 2.48196 -0.00000 0.00103 -0.00043 0.00060 2.48256 D48 -1.69490 0.00003 0.00072 -0.00000 0.00072 -1.69418 D49 1.04901 0.00001 0.00069 0.00006 0.00075 1.04976 D50 -2.68375 -0.00001 -0.00045 0.00012 -0.00034 -2.68408 D51 -1.06440 0.00001 0.00086 -0.00002 0.00085 -1.06356 D52 1.48602 0.00000 -0.00029 0.00005 -0.00024 1.48578 D53 -3.13197 0.00001 0.00059 0.00017 0.00076 -3.13121 D54 -0.58155 -0.00001 -0.00056 0.00023 -0.00032 -0.58187 D55 3.11988 -0.00000 -0.00045 0.00014 -0.00032 3.11956 D56 -1.05592 0.00000 -0.00046 0.00017 -0.00029 -1.05622 D57 1.03985 0.00000 -0.00046 0.00026 -0.00020 1.03965 D58 0.51688 0.00001 0.00062 0.00004 0.00066 0.51754 D59 2.62426 0.00001 0.00060 0.00007 0.00068 2.62494 D60 -1.56315 0.00001 0.00061 0.00016 0.00077 -1.56237 D61 -2.81099 0.00001 0.00059 -0.00011 0.00048 -2.81051 D62 0.33309 0.00002 0.00042 0.00074 0.00116 0.33426 D63 -0.20698 -0.00000 -0.00040 -0.00002 -0.00043 -0.20741 D64 2.93710 0.00002 -0.00058 0.00083 0.00025 2.93736 D65 -0.60091 0.00000 -0.00061 0.00002 -0.00059 -0.60150 D66 1.44923 -0.00001 -0.00044 -0.00037 -0.00081 1.44843 D67 -2.73429 -0.00000 -0.00041 -0.00037 -0.00078 -2.73507 D68 -2.68519 0.00000 -0.00059 -0.00006 -0.00065 -2.68584 D69 -0.63506 -0.00001 -0.00041 -0.00045 -0.00086 -0.63592 D70 1.46461 -0.00001 -0.00038 -0.00045 -0.00083 1.46377 D71 1.47758 0.00000 -0.00064 0.00000 -0.00064 1.47694 D72 -2.75547 -0.00000 -0.00047 -0.00039 -0.00085 -2.75632 D73 -0.65580 -0.00000 -0.00044 -0.00039 -0.00083 -0.65663 D74 0.48737 -0.00001 0.00037 -0.00007 0.00031 0.48768 D75 2.60581 -0.00000 0.00057 -0.00014 0.00043 2.60625 D76 -1.53838 -0.00001 0.00060 -0.00022 0.00038 -1.53800 D77 -1.55259 0.00001 0.00027 0.00033 0.00060 -1.55199 D78 0.56585 0.00001 0.00046 0.00026 0.00073 0.56658 D79 2.70484 0.00001 0.00049 0.00019 0.00068 2.70552 D80 2.60670 0.00000 0.00021 0.00029 0.00050 2.60720 D81 -1.55804 0.00001 0.00041 0.00022 0.00063 -1.55741 D82 0.58095 0.00000 0.00043 0.00014 0.00058 0.58152 D83 -0.19127 0.00000 0.00003 0.00003 0.00006 -0.19121 D84 2.94807 -0.00001 0.00018 -0.00074 -0.00056 2.94752 D85 -2.35537 0.00001 -0.00024 0.00024 -0.00000 -2.35537 D86 0.78397 -0.00001 -0.00009 -0.00053 -0.00062 0.78336 D87 1.87569 0.00001 -0.00019 0.00016 -0.00003 1.87566 D88 -1.26815 -0.00001 -0.00004 -0.00061 -0.00065 -1.26879 D89 -0.03661 0.00001 -0.00009 0.00006 -0.00002 -0.03663 D90 3.10779 0.00003 -0.00028 0.00102 0.00074 3.10854 Item Value Threshold Converged? Maximum Force 0.000094 0.000450 YES RMS Force 0.000021 0.000300 YES Maximum Displacement 0.006454 0.001800 NO RMS Displacement 0.001160 0.001200 YES Predicted change in Energy=-4.659252D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.725213 -4.988461 2.654311 2 6 0 6.406222 -5.316632 4.097473 3 8 0 7.158437 -6.132967 1.996427 4 8 0 3.310796 -2.363323 -0.717828 5 6 0 3.940214 -2.983129 0.079272 6 7 0 4.918980 -2.384595 0.839944 7 6 0 5.767102 -2.977475 1.729508 8 8 0 6.609170 -2.339075 2.293244 9 7 0 5.600006 -4.338464 1.912214 10 6 0 4.536253 -5.024133 1.312515 11 6 0 3.764341 -4.403371 0.406588 12 1 0 7.496473 -4.241715 2.640541 13 1 0 6.036046 -4.429199 4.595951 14 1 0 7.321871 -5.631228 4.584051 15 1 0 5.062639 -1.406328 0.699380 16 6 0 4.253360 -6.464767 1.723073 17 17 0 2.448874 -5.164555 -0.426676 18 1 0 5.680983 -6.107417 4.193377 19 1 0 7.681977 -5.896600 1.241973 20 1 0 3.736750 -6.950445 0.906898 21 1 0 5.187351 -6.972065 1.861928 22 7 0 3.486194 -6.541389 2.947315 23 6 0 2.157960 -5.940444 3.035278 24 6 0 1.727442 -6.287697 4.458978 25 6 0 2.358873 -7.663605 4.670703 26 6 0 3.575545 -7.659966 3.769885 27 1 0 2.204174 -4.874672 2.859369 28 1 0 1.481172 -6.371447 2.300616 29 1 0 2.145341 -5.566801 5.153245 30 1 0 0.651166 -6.283594 4.575996 31 1 0 2.638691 -7.881020 5.691822 32 1 0 1.697815 -8.456601 4.334539 33 7 0 4.457399 -8.552952 3.832871 34 1 0 5.196171 -8.451866 3.162218 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513991 0.000000 3 O 1.389384 2.376262 0.000000 4 O 5.470001 6.441337 6.031728 0.000000 5 C 4.290502 5.260454 4.894275 1.189829 0.000000 6 N 3.651647 4.628199 4.516959 2.239053 1.376534 7 C 2.411908 3.389305 3.458929 3.521374 2.461875 8 O 2.676393 3.487446 3.844920 4.466140 3.527011 9 N 1.496428 2.526293 2.378244 4.007341 2.819844 10 C 2.567730 3.367244 2.927985 3.564260 2.458017 11 C 3.763157 4.629926 4.127830 2.373144 1.468045 12 H 1.073620 2.113467 2.026323 5.685675 4.559729 13 H 2.134875 1.083074 3.304559 6.319104 5.184981 14 H 2.119681 1.083578 2.640880 7.407958 6.224233 15 H 4.406539 5.351891 5.330649 2.448116 2.032406 16 C 3.026011 3.404527 2.936713 4.865004 3.862894 17 Cl 5.273573 6.012625 5.384165 2.945264 2.690483 18 H 2.170531 1.077270 2.647661 6.614829 5.451360 19 H 1.932566 3.180848 0.948244 5.952486 4.882722 20 H 3.979164 4.469362 3.682837 4.884963 4.057827 21 H 2.632029 3.037065 2.146475 5.605096 4.543658 22 N 3.603982 3.368896 3.815280 5.560600 4.592714 23 C 4.680941 4.423249 5.110875 5.311368 4.545340 24 C 5.470152 4.792143 5.965216 6.686333 5.915941 25 C 5.503377 4.713588 5.703544 7.618098 6.744534 26 C 4.278067 3.689344 4.279485 6.947236 5.968787 27 H 4.527118 4.402890 5.183888 4.508639 3.784272 28 H 5.434861 5.347658 5.690407 5.340747 4.739404 29 H 5.249227 4.396857 5.951233 6.788966 5.970104 30 H 6.501099 5.855311 7.001531 7.103994 6.475449 31 H 5.856026 4.828284 6.094237 8.484122 7.562012 32 H 6.334501 5.664336 6.378435 8.078128 7.286601 33 N 4.386067 3.787043 4.065028 7.767565 6.736462 34 H 3.819832 3.488354 3.253743 7.461887 6.402271 6 7 8 9 10 6 N 0.000000 7 C 1.364603 0.000000 8 O 2.229551 1.197678 0.000000 9 N 2.330485 1.383326 2.271817 0.000000 10 C 2.708683 2.424393 3.531055 1.400482 0.000000 11 C 2.365680 2.791836 3.989215 2.375034 1.342347 12 H 3.651646 2.327877 2.127901 2.033817 3.337474 13 H 4.419936 3.224334 3.162207 2.720443 3.658453 14 H 5.507527 4.196204 4.073575 3.431439 4.339491 15 H 0.998701 2.006473 2.408771 3.218253 3.706957 16 C 4.227383 3.801665 4.785004 2.523964 1.524471 17 Cl 3.928603 4.521403 5.717461 4.010295 2.720598 18 H 5.068093 3.984295 4.321162 2.887812 3.283790 19 H 4.486642 3.525014 3.861615 2.685445 3.265234 20 H 4.716899 4.536905 5.606914 3.362266 2.124714 21 H 4.707584 4.038613 4.865408 2.666209 2.126081 22 N 4.875738 4.403076 5.276384 3.223742 2.465210 23 C 5.008671 4.848724 5.773538 3.959204 3.076332 24 C 6.206249 5.892913 6.641784 5.028148 4.402981 25 C 7.006911 6.498189 7.215813 5.400997 4.794291 26 C 6.182144 5.558037 6.300415 4.310657 3.729510 27 H 4.201039 4.191706 5.114073 3.565992 2.802443 28 H 5.463247 5.496763 6.523529 4.609628 3.482114 29 H 6.035236 5.616381 6.206737 4.893649 4.556551 30 H 6.882914 6.723520 7.501200 5.947292 5.227853 31 H 7.677963 7.037872 7.617623 5.966953 5.562452 32 H 7.710859 7.305211 8.106320 6.168777 5.382490 33 N 6.871630 6.101262 6.753728 4.770366 4.337162 34 H 6.502428 5.687493 6.333869 4.318064 3.950475 11 12 13 14 15 11 C 0.000000 12 H 4.352642 0.000000 13 H 4.765719 2.447780 0.000000 14 H 5.622708 2.395509 1.760216 0.000000 15 H 3.279264 4.210829 5.026783 6.168029 0.000000 16 C 2.494318 4.037510 3.946509 4.277352 5.224049 17 Cl 1.733258 5.978103 6.215733 7.005089 4.714238 18 H 4.573517 3.031196 1.761974 1.752682 5.889874 19 H 4.274982 2.174638 4.013916 3.371882 5.226651 20 H 2.595892 4.947551 5.025193 5.302347 5.704234 21 H 3.277370 3.659658 3.829012 3.709983 5.687222 22 N 3.332233 4.633028 3.698797 4.268456 5.822993 23 C 3.442827 5.616157 4.445123 5.400027 5.869565 24 C 4.911365 6.385489 4.694342 5.634202 7.006132 25 C 5.548616 6.498140 4.897813 5.363712 7.888934 26 C 4.685383 5.322925 4.144189 4.337465 7.123724 27 H 2.944890 5.334506 4.230533 5.453231 4.986561 28 H 3.559989 6.390239 5.457817 6.314726 6.327975 29 H 5.148347 6.058395 4.091735 5.208127 6.757002 30 H 5.532726 7.400911 5.695271 6.702533 7.633936 31 H 6.426105 6.793592 4.965684 5.312334 8.527698 32 H 6.010657 7.366093 5.925247 6.298809 8.616425 33 N 5.425750 5.407808 4.481044 4.160041 7.826834 34 H 5.102347 4.825858 4.352336 3.807388 7.464785 16 17 18 19 20 16 C 0.000000 17 Cl 3.093241 0.000000 18 H 2.875450 5.716678 0.000000 19 H 3.508516 5.541267 3.572004 0.000000 20 H 1.081162 2.574189 3.910459 4.097278 0.000000 21 H 1.071900 4.000507 2.535142 2.786419 1.736892 22 N 1.446784 3.788868 2.560880 4.574772 2.096045 23 C 2.527350 3.559742 3.712246 5.807980 2.835962 24 C 3.727841 5.064734 3.966552 6.779275 4.134468 25 C 3.703352 5.677731 3.699456 6.573731 4.071040 26 C 2.465233 5.010747 2.650023 5.134451 2.953998 27 H 2.831737 3.307870 3.922683 5.802296 3.235702 28 H 2.833247 3.135467 4.614181 6.308422 2.713912 29 H 4.125066 5.602630 3.703293 6.786837 4.741152 30 H 4.598673 5.432378 5.047425 7.790878 4.840227 31 H 4.512638 6.697106 3.827080 7.012404 4.996719 32 H 4.161487 5.837022 4.626470 7.206093 4.263154 33 N 2.975466 5.801651 2.758218 4.915980 3.413017 34 H 2.628421 5.588758 2.606679 4.049193 3.077441 21 22 23 24 25 21 H 0.000000 22 N 2.063366 0.000000 23 C 3.408548 1.460506 0.000000 24 C 4.379954 2.332959 1.527368 0.000000 25 C 4.045705 2.345269 2.384170 1.528613 0.000000 26 C 2.590642 1.391337 2.346476 2.402802 1.513861 27 H 3.780647 2.104580 1.081180 2.186930 3.329116 28 H 3.780072 2.113578 1.087903 2.173981 2.838546 29 H 4.696952 2.759319 2.150710 1.084591 2.162182 30 H 5.330772 3.279702 2.182199 1.082626 2.197650 31 H 4.689345 3.169415 3.324780 2.211099 1.080857 32 H 4.527087 2.964916 2.868947 2.172673 1.085747 33 N 2.629952 2.402881 3.570543 3.602230 2.428315 34 H 1.969935 2.572961 3.943867 4.289207 3.308646 26 27 28 29 30 26 C 0.000000 27 H 3.235361 0.000000 28 H 2.864512 1.753645 0.000000 29 H 2.887994 2.396742 3.037445 0.000000 30 H 3.331097 2.709927 2.423630 1.754870 0.000000 31 H 2.149512 4.153278 3.888308 2.426740 2.783360 32 H 2.116443 3.906755 2.920898 3.036693 2.423991 33 N 1.256606 4.422044 3.995585 4.000763 4.493288 34 H 1.903364 4.673338 4.344159 4.647080 5.230415 31 32 33 34 31 H 0.000000 32 H 1.748931 0.000000 33 N 2.686055 2.806468 0.000000 34 H 3.642179 3.689561 1.002884 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.351920 2.477543 -0.326275 2 6 0 0.853137 2.788446 0.535901 3 8 0 0.003932 2.529682 -1.668303 4 8 0 -3.548577 -1.910355 0.343532 5 6 0 -2.749918 -1.033555 0.248354 6 7 0 -2.977802 0.205316 0.803436 7 6 0 -2.196750 1.320425 0.710538 8 8 0 -2.541163 2.353875 1.208326 9 7 0 -1.018218 1.178056 0.000336 10 6 0 -0.605700 -0.073327 -0.474240 11 6 0 -1.436440 -1.125178 -0.400904 12 1 0 -1.112552 3.206203 -0.118539 13 1 0 0.578529 2.712116 1.580799 14 1 0 1.162242 3.806803 0.332079 15 1 0 -3.836326 0.324976 1.299442 16 6 0 0.800126 -0.227115 -1.043462 17 17 0 -1.047559 -2.707353 -0.992240 18 1 0 1.685735 2.134136 0.337985 19 1 0 -0.762424 2.692622 -2.202452 20 1 0 0.795734 -1.066586 -1.724770 21 1 0 1.038154 0.649627 -1.612352 22 7 0 1.792044 -0.401474 -0.004771 23 6 0 1.718313 -1.532670 0.916119 24 6 0 2.953254 -1.331751 1.792135 25 6 0 3.964850 -0.741441 0.809860 26 6 0 3.114778 -0.026926 -0.219033 27 1 0 0.796174 -1.511616 1.480181 28 1 0 1.761652 -2.479214 0.381602 29 1 0 2.730216 -0.621425 2.580822 30 1 0 3.285458 -2.253484 2.252710 31 1 0 4.682350 -0.064224 1.251248 32 1 0 4.520100 -1.522240 0.299079 33 7 0 3.610183 0.750694 -1.072813 34 1 0 2.944103 1.136837 -1.715470 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4510822 0.2982226 0.2180886 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.2837998993 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.53D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000178 0.000064 -0.000278 Ang= -0.04 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) = -1327.16363046 A.U. after 8 cycles NFock= 8 Conv=0.77D-08 -V/T= 2.0011 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 -0.000036041 0.000081447 0.000070946 2 6 -0.000018966 -0.000014685 -0.000008186 3 8 0.000024797 -0.000043042 -0.000055471 4 8 0.000000749 0.000004231 -0.000014464 5 6 0.000000202 -0.000006803 0.000036242 6 7 -0.000012173 -0.000020349 0.000001047 7 6 0.000018378 0.000026284 -0.000004346 8 8 -0.000007832 -0.000003717 -0.000007631 9 7 0.000028033 -0.000057640 0.000001484 10 6 -0.000023184 -0.000003849 -0.000012214 11 6 -0.000018202 0.000022978 -0.000021932 12 1 0.000002587 -0.000011347 -0.000002682 13 1 0.000000212 0.000009675 0.000001227 14 1 0.000000562 -0.000001072 -0.000002065 15 1 0.000008084 -0.000001027 -0.000010672 16 6 0.000003772 0.000023791 0.000017811 17 17 0.000012956 0.000009535 0.000010325 18 1 0.000018065 0.000008343 0.000006579 19 1 -0.000009657 0.000004336 0.000003956 20 1 0.000001951 -0.000003358 0.000001516 21 1 0.000006319 -0.000005728 -0.000006909 22 7 -0.000010093 -0.000019366 0.000006240 23 6 0.000000511 0.000014244 -0.000012194 24 6 -0.000005133 0.000001734 -0.000002421 25 6 -0.000016557 -0.000019529 -0.000009625 26 6 0.000020050 -0.000002367 0.000015622 27 1 0.000003069 0.000000132 -0.000008500 28 1 -0.000000862 -0.000005034 0.000002707 29 1 0.000006447 0.000001592 0.000005127 30 1 0.000006579 0.000001324 -0.000000062 31 1 0.000001588 0.000001996 -0.000000777 32 1 -0.000000941 -0.000003044 0.000004072 33 7 -0.000016310 0.000004139 -0.000005343 34 1 0.000011039 0.000006175 0.000000597 ------------------------------------------------------------------- Cartesian Forces: Max 0.000081447 RMS 0.000018275 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000061002 RMS 0.000009797 Search for a local minimum. Step number 28 out of a maximum of 197 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 20 21 22 23 24 25 26 27 28 DE= -4.26D-07 DEPred=-4.66D-07 R= 9.15D-01 Trust test= 9.15D-01 RLast= 7.82D-03 DXMaxT set to 1.59D+00 ITU= 0 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 -1 ITU= 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00242 0.00351 0.00403 0.00455 0.00633 Eigenvalues --- 0.00864 0.00938 0.01185 0.01275 0.01401 Eigenvalues --- 0.01771 0.01898 0.02073 0.02226 0.02559 Eigenvalues --- 0.03199 0.03266 0.03694 0.04041 0.04674 Eigenvalues --- 0.05053 0.05370 0.05432 0.05578 0.05797 Eigenvalues --- 0.05889 0.05890 0.06246 0.06392 0.06604 Eigenvalues --- 0.06701 0.06934 0.07328 0.08291 0.08587 Eigenvalues --- 0.08823 0.09511 0.10190 0.10969 0.13760 Eigenvalues --- 0.15977 0.16000 0.16035 0.16475 0.16654 Eigenvalues --- 0.17848 0.19790 0.21383 0.21519 0.22050 Eigenvalues --- 0.22838 0.23063 0.24149 0.24837 0.24891 Eigenvalues --- 0.25280 0.25901 0.26504 0.27219 0.28031 Eigenvalues --- 0.28461 0.29170 0.30133 0.31786 0.32162 Eigenvalues --- 0.32413 0.33758 0.33809 0.33830 0.33853 Eigenvalues --- 0.33871 0.33914 0.33978 0.34074 0.34268 Eigenvalues --- 0.34520 0.35086 0.35973 0.36309 0.37334 Eigenvalues --- 0.38094 0.39266 0.39584 0.41516 0.43915 Eigenvalues --- 0.47531 0.48780 0.49400 0.50996 0.56522 Eigenvalues --- 0.57243 0.65019 0.76688 0.84958 0.89220 Eigenvalues --- 0.96239 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-1.84505796D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.21274 -0.18034 0.01150 -0.05279 -0.00354 RFO-DIIS coefs: -0.00013 0.03944 -0.01325 -0.01364 Iteration 1 RMS(Cart)= 0.00079150 RMS(Int)= 0.00000098 Iteration 2 RMS(Cart)= 0.00000036 RMS(Int)= 0.00000096 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86103 -0.00000 0.00004 -0.00007 -0.00003 2.86100 R2 2.62556 0.00006 -0.00004 0.00013 0.00009 2.62564 R3 2.82784 -0.00002 0.00019 -0.00011 0.00008 2.82792 R4 2.02885 -0.00001 -0.00001 -0.00003 -0.00003 2.02882 R5 2.04671 0.00001 0.00004 -0.00003 0.00001 2.04672 R6 2.04767 -0.00000 -0.00001 0.00002 0.00000 2.04767 R7 2.03574 -0.00002 0.00001 -0.00004 -0.00003 2.03571 R8 1.79192 -0.00001 -0.00006 0.00003 -0.00003 1.79189 R9 2.24845 0.00001 -0.00001 0.00002 0.00001 2.24846 R10 2.60127 -0.00002 0.00004 -0.00006 -0.00001 2.60126 R11 2.77420 -0.00002 -0.00001 -0.00005 -0.00007 2.77414 R12 2.57873 -0.00001 -0.00001 -0.00001 -0.00003 2.57870 R13 1.88727 0.00000 -0.00000 0.00000 0.00000 1.88727 R14 2.26328 -0.00001 0.00000 -0.00001 -0.00000 2.26328 R15 2.61411 0.00002 -0.00002 0.00007 0.00004 2.61415 R16 2.64653 0.00002 -0.00011 0.00012 0.00001 2.64654 R17 2.53667 0.00002 -0.00003 0.00005 0.00003 2.53669 R18 2.88083 0.00000 -0.00002 0.00003 0.00001 2.88085 R19 3.27538 -0.00002 0.00003 -0.00007 -0.00004 3.27534 R20 2.04310 -0.00000 0.00001 -0.00001 0.00000 2.04310 R21 2.02560 0.00001 0.00001 -0.00001 0.00000 2.02560 R22 2.73402 -0.00000 0.00011 -0.00009 0.00003 2.73405 R23 2.75996 -0.00001 0.00004 -0.00005 -0.00000 2.75995 R24 2.62925 0.00000 0.00006 -0.00004 0.00002 2.62927 R25 2.88631 0.00000 0.00000 0.00000 0.00000 2.88631 R26 2.04313 0.00000 -0.00001 0.00001 0.00000 2.04313 R27 2.05584 0.00000 -0.00002 0.00000 -0.00001 2.05583 R28 2.88866 0.00001 -0.00002 0.00003 0.00001 2.88867 R29 2.04958 0.00001 0.00001 0.00001 0.00002 2.04960 R30 2.04587 -0.00001 0.00001 -0.00002 -0.00001 2.04585 R31 2.86078 0.00001 -0.00001 0.00001 0.00001 2.86079 R32 2.04252 -0.00000 -0.00001 0.00000 -0.00000 2.04252 R33 2.05176 0.00000 0.00001 -0.00000 0.00001 2.05177 R34 2.37464 -0.00001 0.00001 -0.00001 -0.00001 2.37464 R35 1.89518 0.00001 0.00001 0.00001 0.00001 1.89519 A1 1.91611 0.00002 0.00026 -0.00013 0.00013 1.91624 A2 1.99154 0.00002 -0.00021 0.00020 -0.00001 1.99153 A3 1.89057 -0.00001 0.00014 -0.00008 0.00006 1.89062 A4 1.93633 -0.00003 -0.00005 -0.00004 -0.00009 1.93625 A5 1.92078 -0.00001 0.00005 -0.00014 -0.00009 1.92069 A6 1.80461 0.00000 -0.00020 0.00019 -0.00001 1.80459 A7 1.91041 -0.00001 0.00020 -0.00024 -0.00004 1.91037 A8 1.88907 -0.00001 -0.00010 0.00007 -0.00003 1.88904 A9 1.96689 0.00001 -0.00015 0.00021 0.00007 1.96696 A10 1.89656 0.00000 0.00002 -0.00002 0.00000 1.89656 A11 1.90752 0.00000 0.00002 0.00002 0.00004 1.90756 A12 1.89208 -0.00001 0.00001 -0.00005 -0.00004 1.89204 A13 1.92150 -0.00001 0.00025 -0.00029 -0.00004 1.92146 A14 2.11746 -0.00000 -0.00001 -0.00000 -0.00001 2.11745 A15 2.20179 -0.00000 0.00004 -0.00002 0.00003 2.20182 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1.88741 A53 1.82079 -0.00001 -0.00001 -0.00008 -0.00009 1.82070 A54 2.00297 -0.00000 -0.00007 0.00003 -0.00003 2.00294 A55 1.94230 0.00001 0.00008 -0.00001 0.00007 1.94237 A56 1.93326 -0.00000 -0.00003 -0.00003 -0.00005 1.93321 A57 1.88267 0.00001 0.00003 0.00007 0.00010 1.88278 A58 1.87886 -0.00000 0.00000 0.00001 0.00002 1.87888 A59 1.87771 -0.00000 0.00002 -0.00003 -0.00001 1.87770 A60 2.27316 -0.00001 -0.00008 0.00005 -0.00003 2.27312 A61 2.13232 0.00001 0.00006 -0.00002 0.00004 2.13236 A62 1.99524 -0.00000 0.00002 -0.00002 -0.00001 1.99523 D1 -3.10701 0.00000 0.00022 -0.00011 0.00011 -3.10690 D2 1.11181 0.00001 0.00015 0.00000 0.00015 1.11196 D3 -0.98048 0.00001 0.00029 -0.00011 0.00018 -0.98029 D4 -0.92100 -0.00001 0.00021 -0.00011 0.00009 -0.92090 D5 -2.98536 -0.00001 0.00013 0.00000 0.00013 -2.98522 D6 1.20554 -0.00000 0.00027 -0.00011 0.00017 1.20570 D7 1.07834 -0.00000 -0.00008 0.00019 0.00011 1.07845 D8 -0.98602 0.00000 -0.00015 0.00030 0.00015 -0.98587 D9 -3.07831 0.00001 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0.00041 -0.00003 3.09514 D28 -0.03044 0.00000 -0.00040 0.00028 -0.00012 -0.03056 D29 0.00853 0.00001 -0.00007 0.00036 0.00029 0.00882 D30 -3.11708 0.00001 -0.00002 0.00023 0.00020 -3.11687 D31 2.92145 0.00000 0.00050 0.00004 0.00054 2.92199 D32 -0.10483 0.00000 0.00064 -0.00007 0.00057 -0.10427 D33 -0.20375 0.00000 0.00054 -0.00009 0.00045 -0.20329 D34 3.05316 0.00001 0.00068 -0.00020 0.00048 3.05364 D35 -2.85771 -0.00000 -0.00027 -0.00027 -0.00054 -2.85825 D36 0.30605 -0.00001 -0.00020 -0.00070 -0.00090 0.30515 D37 0.15522 -0.00001 -0.00043 -0.00015 -0.00058 0.15464 D38 -2.96421 -0.00001 -0.00036 -0.00058 -0.00094 -2.96515 D39 -0.07256 0.00000 -0.00006 0.00018 0.00012 -0.07244 D40 3.11359 -0.00000 -0.00011 -0.00003 -0.00014 3.11345 D41 3.04651 0.00001 -0.00014 0.00062 0.00048 3.04700 D42 -0.05052 0.00001 -0.00018 0.00041 0.00022 -0.05030 D43 -2.71342 0.00001 0.00040 0.00044 0.00085 -2.71258 D44 -0.68139 0.00000 0.00045 0.00030 0.00075 -0.68063 D45 1.42506 0.00002 0.00041 0.00042 0.00083 1.42589 D46 0.45052 0.00000 0.00047 0.00001 0.00048 0.45101 D47 2.48256 -0.00001 0.00052 -0.00013 0.00039 2.48295 D48 -1.69418 0.00001 0.00048 -0.00001 0.00047 -1.69371 D49 1.04976 -0.00000 0.00044 -0.00012 0.00032 1.05008 D50 -2.68408 -0.00000 -0.00020 0.00034 0.00014 -2.68394 D51 -1.06356 -0.00000 0.00042 -0.00017 0.00026 -1.06330 D52 1.48578 -0.00000 -0.00021 0.00030 0.00008 1.48586 D53 -3.13121 0.00001 0.00033 0.00003 0.00036 -3.13085 D54 -0.58187 0.00001 -0.00031 0.00049 0.00018 -0.58169 D55 3.11956 -0.00000 -0.00039 0.00021 -0.00017 3.11939 D56 -1.05622 0.00000 -0.00045 0.00034 -0.00012 -1.05634 D57 1.03965 0.00000 -0.00040 0.00033 -0.00008 1.03957 D58 0.51754 -0.00000 0.00018 -0.00019 -0.00001 0.51753 D59 2.62494 0.00000 0.00011 -0.00007 0.00005 2.62499 D60 -1.56237 0.00000 0.00016 -0.00008 0.00009 -1.56229 D61 -2.81051 0.00001 0.00050 -0.00003 0.00047 -2.81004 D62 0.33426 0.00001 0.00054 -0.00026 0.00028 0.33453 D63 -0.20741 0.00000 -0.00008 0.00036 0.00028 -0.20713 D64 2.93736 0.00000 -0.00004 0.00014 0.00009 2.93745 D65 -0.60150 -0.00000 -0.00021 -0.00006 -0.00027 -0.60177 D66 1.44843 -0.00000 -0.00022 -0.00012 -0.00034 1.44809 D67 -2.73507 -0.00000 -0.00023 -0.00009 -0.00031 -2.73538 D68 -2.68584 0.00000 -0.00025 -0.00004 -0.00028 -2.68613 D69 -0.63592 0.00000 -0.00025 -0.00010 -0.00035 -0.63627 D70 1.46377 0.00000 -0.00026 -0.00006 -0.00032 1.46345 D71 1.47694 -0.00000 -0.00020 -0.00014 -0.00034 1.47660 D72 -2.75632 -0.00000 -0.00020 -0.00020 -0.00040 -2.75672 D73 -0.65663 -0.00000 -0.00021 -0.00017 -0.00037 -0.65701 D74 0.48768 0.00001 0.00015 0.00028 0.00043 0.48811 D75 2.60625 -0.00000 0.00007 0.00021 0.00028 2.60653 D76 -1.53800 0.00000 0.00008 0.00025 0.00033 -1.53767 D77 -1.55199 0.00000 0.00018 0.00028 0.00047 -1.55152 D78 0.56658 -0.00000 0.00011 0.00021 0.00032 0.56689 D79 2.70552 -0.00000 0.00012 0.00024 0.00037 2.70588 D80 2.60720 0.00001 0.00015 0.00030 0.00045 2.60765 D81 -1.55741 -0.00000 0.00007 0.00023 0.00029 -1.55712 D82 0.58152 -0.00000 0.00008 0.00026 0.00035 0.58187 D83 -0.19121 -0.00001 -0.00004 -0.00040 -0.00044 -0.19165 D84 2.94752 -0.00000 -0.00008 -0.00019 -0.00027 2.94725 D85 -2.35537 -0.00000 0.00006 -0.00037 -0.00031 -2.35568 D86 0.78336 0.00000 0.00002 -0.00016 -0.00014 0.78322 D87 1.87566 -0.00000 0.00005 -0.00041 -0.00036 1.87530 D88 -1.26879 0.00000 0.00002 -0.00021 -0.00019 -1.26898 D89 -0.03663 0.00001 0.00020 0.00008 0.00028 -0.03635 D90 3.10854 0.00001 0.00025 -0.00018 0.00007 3.10861 Item Value Threshold Converged? Maximum Force 0.000061 0.000450 YES RMS Force 0.000010 0.000300 YES Maximum Displacement 0.003430 0.001800 NO RMS Displacement 0.000791 0.001200 YES Predicted change in Energy=-8.964789D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.725395 -4.988473 2.654297 2 6 0 6.406293 -5.316387 4.097479 3 8 0 7.158416 -6.133103 1.996398 4 8 0 3.310505 -2.362854 -0.717313 5 6 0 3.940066 -2.982742 0.079617 6 7 0 4.919707 -2.384514 0.839389 7 6 0 5.768116 -2.977502 1.728586 8 8 0 6.610935 -2.339307 2.291429 9 7 0 5.600307 -4.338322 1.912068 10 6 0 4.536046 -5.023703 1.312931 11 6 0 3.763862 -4.402824 0.407297 12 1 0 7.496807 -4.241912 2.640395 13 1 0 6.036199 -4.428810 4.595774 14 1 0 7.321907 -5.630976 4.584131 15 1 0 5.064015 -1.406440 0.698140 16 6 0 4.253270 -6.464368 1.723487 17 17 0 2.447920 -5.163794 -0.425362 18 1 0 5.681024 -6.107103 4.193535 19 1 0 7.681840 -5.896799 1.241861 20 1 0 3.736818 -6.950131 0.907260 21 1 0 5.187328 -6.971536 1.862367 22 7 0 3.485974 -6.541253 2.947647 23 6 0 2.157465 -5.940872 3.035291 24 6 0 1.726801 -6.288433 4.458874 25 6 0 2.358483 -7.664261 4.670417 26 6 0 3.575593 -7.659843 3.770190 27 1 0 2.203258 -4.875078 2.859403 28 1 0 1.481033 -6.372184 2.300493 29 1 0 2.144520 -5.567601 5.153331 30 1 0 0.650517 -6.284516 4.575755 31 1 0 2.637949 -7.881888 5.691585 32 1 0 1.697813 -8.457361 4.333729 33 7 0 4.457877 -8.552385 3.833386 34 1 0 5.196943 -8.450725 3.163133 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513978 0.000000 3 O 1.389430 2.376396 0.000000 4 O 5.470202 6.441234 6.032033 0.000000 5 C 4.290686 5.260360 4.894547 1.189835 0.000000 6 N 3.651712 4.628279 4.516901 2.239045 1.376526 7 C 2.411914 3.389589 3.458681 3.521372 2.461887 8 O 2.676351 3.488080 3.844433 4.466085 3.526990 9 N 1.496470 2.526311 2.378245 4.007407 2.819907 10 C 2.567830 3.367075 2.928261 3.564262 2.458003 11 C 3.763333 4.629739 4.128208 2.373133 1.468011 12 H 1.073603 2.113483 2.026288 5.685964 4.559989 13 H 2.134841 1.083079 3.304654 6.318740 5.184646 14 H 2.119645 1.083580 2.641066 7.407920 6.224198 15 H 4.406552 5.352094 5.330416 2.448066 2.032377 16 C 3.025901 3.404293 2.936680 4.865052 3.862916 17 Cl 5.273693 6.012329 5.384538 2.945260 2.690445 18 H 2.170552 1.077253 2.647786 6.614770 5.451319 19 H 1.932568 3.180952 0.948229 5.952789 4.882971 20 H 3.978923 4.469084 3.682538 4.885089 4.057891 21 H 2.631605 3.036630 2.146188 5.605101 4.543604 22 N 3.604307 3.369076 3.815533 5.560732 4.592907 23 C 4.681688 4.423885 5.111336 5.311662 4.545790 24 C 5.471045 4.793028 5.965765 6.686643 5.916420 25 C 5.504044 4.714396 5.703874 7.618326 6.744885 26 C 4.278164 3.689413 4.279473 6.947377 5.968956 27 H 4.528206 4.403759 5.184688 4.508898 3.784792 28 H 5.435363 5.348089 5.690545 5.341241 4.739984 29 H 5.250236 4.397800 5.951905 6.789285 5.970600 30 H 6.501990 5.856192 7.002054 7.104333 6.475964 31 H 5.856977 4.829429 6.094856 8.484459 7.562495 32 H 6.334845 5.664920 6.378360 8.078169 7.286743 33 N 4.385585 3.786522 4.064524 7.767600 6.736455 34 H 3.818673 3.487062 3.252694 7.461815 6.402081 6 7 8 9 10 6 N 0.000000 7 C 1.364589 0.000000 8 O 2.229510 1.197676 0.000000 9 N 2.330498 1.383350 2.271859 0.000000 10 C 2.708645 2.424398 3.531091 1.400487 0.000000 11 C 2.365640 2.791842 3.989220 2.375085 1.342361 12 H 3.651711 2.327768 2.127546 2.033831 3.337583 13 H 4.419969 3.224738 3.163282 2.720380 3.658061 14 H 5.507556 4.196347 4.073948 3.431440 4.339418 15 H 0.998702 2.006443 2.408687 3.218255 3.706928 16 C 4.227407 3.801713 4.785109 2.523914 1.524478 17 Cl 3.928578 4.521401 5.717462 4.010303 2.720581 18 H 5.068290 3.984716 4.321924 2.887939 3.283688 19 H 4.486369 3.524420 3.860593 2.685294 3.265481 20 H 4.716851 4.536797 5.606796 3.362109 2.124725 21 H 4.707321 4.038257 4.865007 2.665865 2.126052 22 N 4.876352 4.403930 5.277533 3.224241 2.465340 23 C 5.009954 4.850344 5.775638 3.960171 3.076584 24 C 6.207729 5.894825 6.644409 5.029235 4.403221 25 C 7.008021 6.499667 7.217899 5.401831 4.794480 26 C 6.182663 5.558743 6.301439 4.310984 3.729587 27 H 4.202672 4.193776 5.116673 3.567281 2.802779 28 H 5.464505 5.498184 6.525341 4.610411 3.482353 29 H 6.036870 5.618536 6.209769 4.894832 4.556742 30 H 6.884506 6.725514 7.503960 5.948389 5.228098 31 H 7.679280 7.039624 7.620097 5.968012 5.562787 32 H 7.711710 7.306367 8.108042 6.169310 5.382452 33 N 6.871676 6.101330 6.753934 4.770213 4.337095 34 H 6.501965 5.686856 6.333140 4.317374 3.950254 11 12 13 14 15 11 C 0.000000 12 H 4.352873 0.000000 13 H 4.765242 2.447818 0.000000 14 H 5.622632 2.395454 1.760222 0.000000 15 H 3.279223 4.210788 5.027069 6.168121 0.000000 16 C 2.494362 4.037396 3.946184 4.277192 5.224106 17 Cl 1.733234 5.978294 6.215123 7.004930 4.714225 18 H 4.573366 3.031212 1.761991 1.752644 5.890222 19 H 4.275396 2.174577 4.013958 3.372089 5.226085 20 H 2.596049 4.947295 5.024873 5.302115 5.704182 21 H 3.277463 3.659217 3.828518 3.709654 5.686908 22 N 3.332188 4.633374 3.698971 4.268615 5.823813 23 C 3.442740 5.617025 4.445898 5.400593 5.871233 24 C 4.911254 6.386555 4.695513 5.634994 7.008136 25 C 5.548536 6.498910 4.898908 5.364445 7.890450 26 C 4.685367 5.323026 4.144362 4.337473 7.124460 27 H 2.944713 5.335778 4.231498 5.454048 4.988631 28 H 3.560039 6.390863 5.458439 6.315078 6.329606 29 H 5.148186 6.059643 4.093028 5.208968 6.759249 30 H 5.532606 7.401996 5.696457 6.703331 7.636131 31 H 6.426139 6.794681 4.967157 5.313429 8.529462 32 H 6.010382 7.366527 5.926169 6.299333 8.617674 33 N 5.425735 5.407263 4.480647 4.159438 7.826985 34 H 5.102338 4.824597 4.351161 3.806007 7.464302 16 17 18 19 20 16 C 0.000000 17 Cl 3.093272 0.000000 18 H 2.875284 5.716380 0.000000 19 H 3.508446 5.541737 3.572096 0.000000 20 H 1.081163 2.574517 3.910273 4.096909 0.000000 21 H 1.071901 4.000748 2.534822 2.786158 1.736855 22 N 1.446797 3.788421 2.561048 4.574966 2.096016 23 C 2.527306 3.558699 3.712765 5.808360 2.835750 24 C 3.727779 5.063653 3.967261 6.779752 4.134244 25 C 3.703290 5.676909 3.700194 6.573967 4.070767 26 C 2.465238 5.010445 2.650106 5.134397 2.953989 27 H 2.831731 3.306494 3.923347 5.803035 3.235509 28 H 2.833148 3.134543 4.614521 6.308462 2.713611 29 H 4.124906 5.601512 3.703935 6.787480 4.740878 30 H 4.598653 5.431192 5.048126 7.791321 4.840057 31 H 4.512696 6.696356 3.828096 7.012949 4.996544 32 H 4.161219 5.836025 4.627023 7.205880 4.262625 33 N 2.975458 5.801673 2.757753 4.915493 3.413115 34 H 2.628443 5.589127 2.605499 4.048276 3.077777 21 22 23 24 25 21 H 0.000000 22 N 2.063390 0.000000 23 C 3.408531 1.460505 0.000000 24 C 4.379922 2.332898 1.527369 0.000000 25 C 4.045661 2.345276 2.384138 1.528618 0.000000 26 C 2.590607 1.391349 2.346491 2.402723 1.513864 27 H 3.780726 2.104587 1.081180 2.186982 3.329175 28 H 3.779920 2.113571 1.087897 2.173942 2.838296 29 H 4.696824 2.759083 2.150719 1.084600 2.162167 30 H 5.330771 3.279705 2.182204 1.082620 2.197682 31 H 4.689454 3.169487 3.324802 2.211078 1.080855 32 H 4.526811 2.964829 2.868787 2.172729 1.085750 33 N 2.629847 2.402869 3.570553 3.602151 2.428341 34 H 1.969793 2.572923 3.943873 4.289095 3.308668 26 27 28 29 30 26 C 0.000000 27 H 3.235390 0.000000 28 H 2.864482 1.753659 0.000000 29 H 2.887650 2.396903 3.037475 0.000000 30 H 3.331145 2.709868 2.423688 1.754881 0.000000 31 H 2.149474 4.153447 3.888080 2.426750 2.783265 32 H 2.116523 3.906644 2.920446 3.036776 2.424182 33 N 1.256603 4.422051 3.995577 4.000352 4.493366 34 H 1.903363 4.673292 4.344245 4.646566 5.230483 31 32 33 34 31 H 0.000000 32 H 1.748942 0.000000 33 N 2.686002 2.806658 0.000000 34 H 3.642127 3.689750 1.002892 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.352948 2.477666 -0.325418 2 6 0 0.851816 2.788596 0.537132 3 8 0 0.003030 2.530357 -1.667439 4 8 0 -3.547742 -1.912018 0.343218 5 6 0 -2.749517 -1.034795 0.248225 6 7 0 -2.978447 0.204123 0.802750 7 6 0 -2.198063 1.319691 0.709944 8 8 0 -2.543479 2.353063 1.207195 9 7 0 -1.018945 1.177819 0.000572 10 6 0 -0.605659 -0.073386 -0.473817 11 6 0 -1.435812 -1.125725 -0.400594 12 1 0 -1.113860 3.205992 -0.117627 13 1 0 0.576987 2.711689 1.581935 14 1 0 1.160554 3.807173 0.333838 15 1 0 -3.837456 0.323493 1.297986 16 6 0 0.800230 -0.226241 -1.043154 17 17 0 -1.045952 -2.707636 -0.991923 18 1 0 1.684731 2.134758 0.339090 19 1 0 -0.763360 2.693080 -2.201579 20 1 0 0.796183 -1.065291 -1.724985 21 1 0 1.037807 0.650932 -1.611570 22 7 0 1.792387 -0.400825 -0.004711 23 6 0 1.719407 -1.532876 0.915185 24 6 0 2.954453 -1.332042 1.791076 25 6 0 3.965586 -0.740724 0.808922 26 6 0 3.114898 -0.025409 -0.218910 27 1 0 0.797353 -1.512823 1.479423 28 1 0 1.763203 -2.478916 0.379824 29 1 0 2.731324 -0.622247 2.580229 30 1 0 3.287088 -2.253921 2.251031 31 1 0 4.683080 -0.063720 1.250638 32 1 0 4.520825 -1.520945 0.297240 33 7 0 3.609682 0.753297 -1.072056 34 1 0 2.943189 1.139920 -1.714007 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4511032 0.2982249 0.2180420 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.2633053907 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.52D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000117 0.000015 -0.000218 Ang= -0.03 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) = -1327.16363056 A.U. after 8 cycles NFock= 8 Conv=0.78D-08 -V/T= 2.0011 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 -0.000053112 0.000061374 0.000003012 2 6 0.000001477 -0.000014572 -0.000009936 3 8 0.000010206 -0.000036507 -0.000005893 4 8 -0.000007261 0.000003504 -0.000001008 5 6 0.000024624 -0.000004562 0.000005237 6 7 -0.000013582 -0.000007497 -0.000006655 7 6 0.000002689 0.000016739 0.000003145 8 8 -0.000001501 -0.000000378 -0.000003818 9 7 0.000044803 -0.000028626 0.000009266 10 6 -0.000003074 -0.000015449 -0.000006618 11 6 -0.000015532 0.000012877 0.000000738 12 1 -0.000000167 -0.000004204 0.000005984 13 1 -0.000000297 0.000003776 0.000002141 14 1 -0.000000622 0.000000443 0.000000280 15 1 0.000002408 0.000000406 -0.000002619 16 6 -0.000003397 0.000010761 0.000022369 17 17 0.000006675 0.000002089 0.000004703 18 1 0.000003987 0.000005247 0.000007020 19 1 0.000002104 0.000007744 -0.000007490 20 1 -0.000002575 0.000000849 -0.000006464 21 1 -0.000001809 -0.000002753 -0.000007869 22 7 0.000006193 -0.000000950 -0.000006062 23 6 0.000001734 0.000002974 0.000010310 24 6 -0.000009411 0.000003038 -0.000006302 25 6 0.000004979 0.000004590 0.000010449 26 6 -0.000003024 -0.000022336 -0.000018377 27 1 0.000002417 -0.000001741 -0.000004621 28 1 -0.000002007 -0.000003141 0.000000035 29 1 0.000002434 -0.000001250 0.000001548 30 1 0.000001249 -0.000001234 0.000000863 31 1 -0.000002853 -0.000001888 0.000002631 32 1 0.000002048 0.000002384 -0.000003268 33 7 -0.000002927 0.000008547 0.000005697 34 1 0.000003123 -0.000000252 0.000001573 ------------------------------------------------------------------- Cartesian Forces: Max 0.000061374 RMS 0.000012520 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000039927 RMS 0.000005913 Search for a local minimum. Step number 29 out of a maximum of 197 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 20 21 22 23 24 25 26 27 28 29 DE= -9.57D-08 DEPred=-8.96D-08 R= 1.07D+00 Trust test= 1.07D+00 RLast= 3.68D-03 DXMaxT set to 1.59D+00 ITU= 0 0 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 ITU= -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00238 0.00340 0.00373 0.00448 0.00587 Eigenvalues --- 0.00860 0.00918 0.01177 0.01260 0.01507 Eigenvalues --- 0.01761 0.01898 0.02074 0.02224 0.02618 Eigenvalues --- 0.03195 0.03367 0.03698 0.04246 0.04827 Eigenvalues --- 0.05114 0.05398 0.05432 0.05638 0.05815 Eigenvalues --- 0.05892 0.05918 0.06301 0.06443 0.06512 Eigenvalues --- 0.06716 0.06948 0.07338 0.08302 0.08590 Eigenvalues --- 0.09007 0.09527 0.10187 0.10951 0.13868 Eigenvalues --- 0.15976 0.16003 0.16062 0.16518 0.16668 Eigenvalues --- 0.17815 0.20555 0.21398 0.21907 0.22090 Eigenvalues --- 0.22562 0.23102 0.24273 0.24852 0.24972 Eigenvalues --- 0.25293 0.25980 0.26632 0.27193 0.28074 Eigenvalues --- 0.28447 0.29278 0.30245 0.31879 0.32077 Eigenvalues --- 0.32741 0.33766 0.33813 0.33843 0.33868 Eigenvalues --- 0.33904 0.33915 0.34011 0.34067 0.34416 Eigenvalues --- 0.34529 0.35101 0.35732 0.36272 0.37321 Eigenvalues --- 0.37894 0.39428 0.39682 0.41484 0.43978 Eigenvalues --- 0.47498 0.48779 0.49437 0.51097 0.56454 Eigenvalues --- 0.57175 0.65380 0.76669 0.85722 0.89526 Eigenvalues --- 0.96513 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-6.46350157D-08. DidBck=F Rises=F RFO-DIIS coefs: 1.31885 0.01952 -0.43954 0.04876 0.06741 RFO-DIIS coefs: -0.00408 -0.01621 0.00369 0.00140 0.00021 Iteration 1 RMS(Cart)= 0.00054806 RMS(Int)= 0.00000019 Iteration 2 RMS(Cart)= 0.00000021 RMS(Int)= 0.00000018 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86100 -0.00000 0.00000 -0.00001 -0.00001 2.86100 R2 2.62564 0.00003 0.00015 -0.00005 0.00010 2.62574 R3 2.82792 -0.00004 0.00003 -0.00011 -0.00009 2.82783 R4 2.02882 -0.00000 -0.00003 0.00001 -0.00002 2.02880 R5 2.04672 0.00000 0.00001 0.00001 0.00002 2.04674 R6 2.04767 -0.00000 -0.00001 0.00001 0.00000 2.04767 R7 2.03571 -0.00001 -0.00002 -0.00001 -0.00003 2.03568 R8 1.79189 0.00001 -0.00001 0.00002 0.00001 1.79190 R9 2.24846 0.00001 0.00002 -0.00001 0.00001 2.24847 R10 2.60126 -0.00002 -0.00001 -0.00002 -0.00004 2.60122 R11 2.77414 -0.00001 -0.00004 0.00000 -0.00004 2.77410 R12 2.57870 -0.00000 -0.00002 0.00001 -0.00001 2.57869 R13 1.88727 0.00000 0.00000 -0.00000 0.00000 1.88728 R14 2.26328 -0.00000 -0.00000 0.00000 -0.00000 2.26328 R15 2.61415 0.00002 0.00005 -0.00000 0.00004 2.61420 R16 2.64654 0.00001 0.00001 0.00002 0.00003 2.64657 R17 2.53669 0.00000 -0.00001 0.00003 0.00002 2.53671 R18 2.88085 0.00000 -0.00002 0.00003 0.00001 2.88085 R19 3.27534 -0.00001 -0.00005 0.00002 -0.00003 3.27530 R20 2.04310 0.00001 0.00001 0.00001 0.00001 2.04312 R21 2.02560 -0.00000 0.00000 -0.00000 -0.00000 2.02560 R22 2.73405 -0.00001 0.00005 -0.00007 -0.00002 2.73403 R23 2.75995 -0.00000 0.00001 -0.00001 -0.00001 2.75995 R24 2.62927 0.00001 -0.00002 0.00003 0.00001 2.62928 R25 2.88631 -0.00000 0.00001 -0.00002 -0.00001 2.88630 R26 2.04313 -0.00000 -0.00000 0.00000 0.00000 2.04313 R27 2.05583 0.00000 -0.00001 0.00002 0.00000 2.05583 R28 2.88867 0.00000 0.00000 0.00001 0.00001 2.88868 R29 2.04960 0.00000 0.00001 0.00000 0.00001 2.04961 R30 2.04585 -0.00000 0.00000 -0.00001 -0.00001 2.04585 R31 2.86079 0.00000 0.00004 -0.00003 0.00001 2.86080 R32 2.04252 0.00000 -0.00001 0.00001 0.00000 2.04252 R33 2.05177 -0.00000 -0.00000 0.00000 -0.00000 2.05177 R34 2.37464 -0.00001 0.00000 -0.00001 -0.00001 2.37463 R35 1.89519 0.00000 0.00001 -0.00001 0.00000 1.89519 A1 1.91624 -0.00000 0.00017 -0.00013 0.00004 1.91628 A2 1.99153 0.00001 -0.00009 0.00017 0.00008 1.99161 A3 1.89062 -0.00001 0.00004 -0.00008 -0.00004 1.89058 A4 1.93625 -0.00000 -0.00009 0.00005 -0.00003 1.93621 A5 1.92069 0.00000 0.00001 -0.00005 -0.00005 1.92064 A6 1.80459 0.00000 -0.00004 0.00004 -0.00000 1.80459 A7 1.91037 -0.00000 0.00001 -0.00002 -0.00002 1.91035 A8 1.88904 -0.00000 -0.00007 0.00005 -0.00002 1.88901 A9 1.96696 0.00001 0.00007 0.00001 0.00008 1.96704 A10 1.89656 -0.00000 0.00001 -0.00003 -0.00002 1.89654 A11 1.90756 -0.00000 0.00002 -0.00002 0.00001 1.90757 A12 1.89204 -0.00000 -0.00004 0.00001 -0.00002 1.89202 A13 1.92146 -0.00001 0.00009 -0.00017 -0.00008 1.92138 A14 2.11745 -0.00000 -0.00002 0.00002 -0.00000 2.11744 A15 2.20182 -0.00000 0.00002 -0.00003 -0.00001 2.20181 A16 1.96343 0.00000 0.00000 0.00001 0.00001 1.96344 A17 2.23100 0.00000 0.00003 -0.00001 0.00002 2.23102 A18 2.03799 -0.00000 -0.00002 0.00001 -0.00001 2.03798 A19 2.01297 -0.00000 -0.00001 0.00000 -0.00001 2.01295 A20 2.10853 -0.00000 -0.00003 0.00001 -0.00002 2.10851 A21 2.02471 0.00000 -0.00000 0.00001 0.00000 2.02471 A22 2.14983 0.00000 0.00004 -0.00002 0.00002 2.14985 A23 1.98446 -0.00001 0.00001 -0.00003 -0.00002 1.98444 A24 2.17840 0.00001 0.00003 0.00002 0.00005 2.17845 A25 2.11397 -0.00000 -0.00002 0.00002 -0.00000 2.11397 A26 2.09371 -0.00001 0.00005 -0.00005 0.00000 2.09371 A27 2.08086 0.00001 -0.00007 0.00008 0.00001 2.08087 A28 2.10841 -0.00001 0.00002 -0.00003 -0.00001 2.10840 A29 2.12819 0.00001 -0.00000 0.00003 0.00002 2.12821 A30 1.99173 0.00000 0.00007 -0.00006 0.00001 1.99173 A31 2.16251 -0.00001 -0.00006 0.00004 -0.00002 2.16250 A32 1.88587 -0.00001 -0.00007 0.00000 -0.00007 1.88580 A33 1.89694 -0.00001 -0.00009 0.00006 -0.00003 1.89691 A34 1.95677 0.00002 0.00020 -0.00006 0.00014 1.95691 A35 1.87705 0.00000 -0.00006 0.00000 -0.00005 1.87699 A36 1.94075 -0.00000 -0.00010 0.00006 -0.00004 1.94071 A37 1.90432 -0.00000 0.00011 -0.00008 0.00003 1.90435 A38 2.10754 -0.00000 0.00002 -0.00005 -0.00004 2.10750 A39 2.10456 0.00000 0.00002 0.00000 0.00002 2.10458 A40 1.93222 -0.00000 -0.00003 0.00004 0.00001 1.93223 A41 1.79145 0.00000 0.00005 -0.00007 -0.00002 1.79144 A42 1.93579 -0.00000 -0.00001 0.00000 -0.00001 1.93578 A43 1.94129 -0.00000 -0.00000 -0.00001 -0.00001 1.94128 A44 1.96913 0.00000 0.00001 0.00006 0.00007 1.96920 A45 1.94335 -0.00000 -0.00006 0.00002 -0.00004 1.94331 A46 1.88313 0.00000 0.00002 -0.00001 0.00001 1.88314 A47 1.78982 -0.00000 -0.00008 0.00006 -0.00002 1.78980 A48 1.91447 0.00000 -0.00005 0.00006 0.00001 1.91448 A49 1.96072 0.00000 0.00008 -0.00007 0.00001 1.96073 A50 1.92881 -0.00000 -0.00004 0.00001 -0.00003 1.92878 A51 1.98137 0.00000 0.00008 -0.00007 0.00001 1.98138 A52 1.88741 0.00000 0.00000 0.00001 0.00002 1.88743 A53 1.82070 0.00000 0.00001 -0.00003 -0.00002 1.82069 A54 2.00294 -0.00000 -0.00007 0.00007 0.00000 2.00294 A55 1.94237 -0.00000 0.00002 -0.00002 -0.00000 1.94237 A56 1.93321 0.00000 -0.00000 0.00003 0.00002 1.93323 A57 1.88278 -0.00000 0.00003 -0.00004 -0.00001 1.88276 A58 1.87888 0.00000 0.00001 -0.00000 0.00001 1.87888 A59 1.87770 -0.00000 -0.00000 -0.00002 -0.00002 1.87768 A60 2.27312 0.00001 -0.00004 0.00006 0.00002 2.27314 A61 2.13236 -0.00000 0.00004 -0.00004 0.00000 2.13236 A62 1.99523 0.00000 0.00003 -0.00002 0.00002 1.99525 D1 -3.10690 -0.00000 0.00001 -0.00009 -0.00007 -3.10697 D2 1.11196 -0.00000 0.00004 -0.00007 -0.00002 1.11194 D3 -0.98029 -0.00000 0.00009 -0.00012 -0.00002 -0.98032 D4 -0.92090 -0.00000 -0.00004 0.00001 -0.00003 -0.92093 D5 -2.98522 0.00000 -0.00001 0.00003 0.00002 -2.98520 D6 1.20570 -0.00000 0.00004 -0.00002 0.00002 1.20572 D7 1.07845 0.00000 -0.00011 0.00010 -0.00001 1.07844 D8 -0.98587 0.00000 -0.00008 0.00012 0.00004 -0.98583 D9 -3.07813 0.00000 -0.00003 0.00007 0.00004 -3.07809 D10 -2.73758 0.00000 -0.00015 0.00010 -0.00005 -2.73763 D11 1.32822 -0.00001 -0.00010 -0.00006 -0.00016 1.32806 D12 -0.65812 -0.00000 -0.00000 -0.00011 -0.00011 -0.65823 D13 1.81353 -0.00000 0.00031 -0.00012 0.00019 1.81372 D14 -1.44835 0.00000 0.00044 0.00001 0.00045 -1.44790 D15 -2.29428 0.00000 0.00040 -0.00012 0.00028 -2.29401 D16 0.72703 0.00000 0.00052 0.00002 0.00054 0.72756 D17 -0.23598 0.00000 0.00034 -0.00013 0.00020 -0.23577 D18 2.78533 0.00000 0.00046 0.00000 0.00046 2.78580 D19 -3.06959 -0.00000 -0.00009 -0.00007 -0.00017 -3.06976 D20 0.01604 -0.00000 -0.00024 0.00003 -0.00021 0.01583 D21 0.10362 0.00000 -0.00017 -0.00000 -0.00017 0.10345 D22 -3.09393 0.00000 -0.00032 0.00010 -0.00021 -3.09415 D23 3.12683 -0.00000 -0.00006 0.00003 -0.00002 3.12680 D24 -0.05505 0.00000 0.00010 0.00014 0.00024 -0.05481 D25 -0.04822 -0.00000 0.00002 -0.00004 -0.00002 -0.04824 D26 3.05310 0.00000 0.00017 0.00007 0.00024 3.05334 D27 3.09514 0.00000 0.00002 0.00005 0.00007 3.09521 D28 -0.03056 0.00000 0.00002 0.00005 0.00006 -0.03049 D29 0.00882 0.00000 0.00017 -0.00005 0.00012 0.00894 D30 -3.11687 0.00000 0.00016 -0.00006 0.00011 -3.11676 D31 2.92199 0.00000 0.00041 0.00008 0.00049 2.92248 D32 -0.10427 -0.00000 0.00029 -0.00005 0.00024 -0.10403 D33 -0.20329 0.00000 0.00041 0.00007 0.00048 -0.20281 D34 3.05364 0.00000 0.00029 -0.00006 0.00023 3.05387 D35 -2.85825 -0.00001 -0.00056 -0.00013 -0.00070 -2.85894 D36 0.30515 -0.00001 -0.00068 -0.00022 -0.00089 0.30425 D37 0.15464 -0.00000 -0.00043 0.00001 -0.00042 0.15422 D38 -2.96515 -0.00000 -0.00054 -0.00007 -0.00062 -2.96577 D39 -0.07244 0.00001 0.00026 0.00004 0.00030 -0.07214 D40 3.11345 0.00000 0.00009 -0.00008 0.00001 3.11346 D41 3.04700 0.00001 0.00038 0.00013 0.00050 3.04750 D42 -0.05030 0.00000 0.00021 0.00001 0.00021 -0.05009 D43 -2.71258 0.00000 0.00024 0.00002 0.00027 -2.71231 D44 -0.68063 -0.00001 0.00009 0.00006 0.00015 -0.68048 D45 1.42589 0.00000 0.00029 -0.00002 0.00027 1.42616 D46 0.45101 0.00000 0.00013 -0.00006 0.00007 0.45107 D47 2.48295 -0.00001 -0.00003 -0.00002 -0.00005 2.48290 D48 -1.69371 -0.00000 0.00017 -0.00011 0.00007 -1.69364 D49 1.05008 -0.00000 0.00009 0.00003 0.00013 1.05021 D50 -2.68394 -0.00000 0.00009 0.00002 0.00012 -2.68382 D51 -1.06330 0.00000 0.00011 0.00003 0.00014 -1.06316 D52 1.48586 -0.00000 0.00012 0.00002 0.00013 1.48600 D53 -3.13085 0.00000 0.00018 0.00003 0.00021 -3.13065 D54 -0.58169 0.00000 0.00018 0.00002 0.00020 -0.58149 D55 3.11939 0.00000 0.00000 0.00002 0.00002 3.11941 D56 -1.05634 0.00000 0.00003 0.00005 0.00008 -1.05626 D57 1.03957 0.00000 0.00005 0.00003 0.00008 1.03965 D58 0.51753 0.00000 -0.00001 0.00003 0.00002 0.51755 D59 2.62499 0.00000 0.00002 0.00007 0.00008 2.62507 D60 -1.56229 0.00000 0.00003 0.00005 0.00008 -1.56221 D61 -2.81004 0.00000 0.00010 -0.00001 0.00008 -2.80996 D62 0.33453 0.00001 0.00028 0.00005 0.00033 0.33486 D63 -0.20713 -0.00000 0.00011 -0.00005 0.00006 -0.20706 D64 2.93745 0.00000 0.00030 0.00001 0.00031 2.93776 D65 -0.60177 0.00000 -0.00007 -0.00002 -0.00009 -0.60186 D66 1.44809 -0.00000 -0.00017 0.00005 -0.00013 1.44796 D67 -2.73538 0.00000 -0.00015 0.00006 -0.00009 -2.73547 D68 -2.68613 0.00000 -0.00009 -0.00001 -0.00010 -2.68622 D69 -0.63627 -0.00000 -0.00019 0.00005 -0.00014 -0.63641 D70 1.46345 0.00000 -0.00017 0.00007 -0.00010 1.46335 D71 1.47660 0.00000 -0.00007 -0.00006 -0.00013 1.47648 D72 -2.75672 -0.00000 -0.00018 0.00001 -0.00017 -2.75689 D73 -0.65701 0.00000 -0.00016 0.00002 -0.00013 -0.65714 D74 0.48811 -0.00000 0.00011 0.00001 0.00012 0.48823 D75 2.60653 0.00000 0.00008 0.00006 0.00014 2.60667 D76 -1.53767 0.00000 0.00006 0.00009 0.00015 -1.53752 D77 -1.55152 -0.00000 0.00023 -0.00010 0.00013 -1.55139 D78 0.56689 0.00000 0.00020 -0.00004 0.00015 0.56705 D79 2.70588 0.00000 0.00018 -0.00002 0.00016 2.70605 D80 2.60765 -0.00000 0.00020 -0.00007 0.00013 2.60778 D81 -1.55712 0.00000 0.00017 -0.00002 0.00015 -1.55697 D82 0.58187 0.00000 0.00015 0.00001 0.00016 0.58203 D83 -0.19165 0.00000 -0.00015 0.00003 -0.00011 -0.19177 D84 2.94725 -0.00000 -0.00032 -0.00002 -0.00034 2.94691 D85 -2.35568 0.00000 -0.00007 -0.00004 -0.00012 -2.35580 D86 0.78322 -0.00000 -0.00024 -0.00010 -0.00034 0.78287 D87 1.87530 0.00000 -0.00010 -0.00003 -0.00013 1.87517 D88 -1.26898 -0.00000 -0.00027 -0.00008 -0.00036 -1.26934 D89 -0.03635 -0.00000 0.00008 -0.00007 0.00001 -0.03634 D90 3.10861 0.00000 0.00029 -0.00000 0.00029 3.10889 Item Value Threshold Converged? Maximum Force 0.000040 0.000450 YES RMS Force 0.000006 0.000300 YES Maximum Displacement 0.002134 0.001800 NO RMS Displacement 0.000548 0.001200 YES Predicted change in Energy=-3.145933D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.725166 -4.988475 2.654510 2 6 0 6.405722 -5.316030 4.097694 3 8 0 7.158153 -6.133330 1.996873 4 8 0 3.310552 -2.362515 -0.717280 5 6 0 3.940195 -2.982481 0.079536 6 7 0 4.920347 -2.384472 0.838786 7 6 0 5.768772 -2.977537 1.727907 8 8 0 6.612008 -2.339498 2.290300 9 7 0 5.600458 -4.338256 1.911858 10 6 0 4.535884 -5.023438 1.313008 11 6 0 3.763575 -4.402409 0.407568 12 1 0 7.496739 -4.242094 2.640648 13 1 0 6.035740 -4.428253 4.595735 14 1 0 7.321196 -5.630684 4.584569 15 1 0 5.065089 -1.406519 0.697132 16 6 0 4.253070 -6.464131 1.723453 17 17 0 2.447265 -5.163138 -0.424694 18 1 0 5.680301 -6.106574 4.193852 19 1 0 7.681713 -5.897166 1.242384 20 1 0 3.736500 -6.949727 0.907192 21 1 0 5.187129 -6.971370 1.862062 22 7 0 3.485912 -6.541302 2.947670 23 6 0 2.157343 -5.941089 3.035490 24 6 0 1.726853 -6.288887 4.459061 25 6 0 2.358631 -7.664725 4.670297 26 6 0 3.575732 -7.660005 3.770050 27 1 0 2.202998 -4.875279 2.859665 28 1 0 1.480895 -6.372442 2.300726 29 1 0 2.144649 -5.568171 5.153599 30 1 0 0.650586 -6.285032 4.576078 31 1 0 2.638106 -7.882568 5.691419 32 1 0 1.698021 -8.457791 4.333414 33 7 0 4.458265 -8.552292 3.833267 34 1 0 5.197436 -8.450320 3.163174 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513974 0.000000 3 O 1.389481 2.376463 0.000000 4 O 5.470303 6.441063 6.032387 0.000000 5 C 4.290753 5.260216 4.894822 1.189841 0.000000 6 N 3.651719 4.628266 4.516954 2.239032 1.376508 7 C 2.411877 3.389711 3.458576 3.521368 2.461879 8 O 2.676290 3.488405 3.844156 4.466058 3.526966 9 N 1.496424 2.526336 2.378220 4.007441 2.819929 10 C 2.567841 3.366954 2.928451 3.564269 2.458008 11 C 3.763408 4.629543 4.128575 2.373116 1.467991 12 H 1.073593 2.113443 2.026292 5.686181 4.560146 13 H 2.134833 1.083088 3.304721 6.318390 5.184363 14 H 2.119626 1.083581 2.641099 7.407820 6.224104 15 H 4.406539 5.352139 5.330383 2.448038 2.032355 16 C 3.025836 3.404271 2.936612 4.865056 3.862932 17 Cl 5.273749 6.012050 5.384953 2.945226 2.690419 18 H 2.170591 1.077238 2.647919 6.614598 5.451195 19 H 1.932564 3.180986 0.948232 5.953242 4.883295 20 H 3.978913 4.469117 3.682610 4.884962 4.057777 21 H 2.631616 3.036967 2.146024 5.605006 4.543510 22 N 3.604161 3.368848 3.815207 5.561013 4.593231 23 C 4.681627 4.423539 5.111143 5.312191 4.546382 24 C 5.470888 4.792583 5.965366 6.687227 5.917047 25 C 5.503848 4.714147 5.703312 7.618765 6.745358 26 C 4.277901 3.689229 4.278858 6.947650 5.969251 27 H 4.528234 4.403393 5.184656 4.509456 3.785453 28 H 5.435339 5.347805 5.690409 5.341865 4.740641 29 H 5.250013 4.397187 5.951432 6.789903 5.971256 30 H 6.501846 5.855715 7.001695 7.105012 6.476671 31 H 5.856847 4.829286 6.094286 8.484963 7.563037 32 H 6.334592 5.664686 6.377741 8.078499 7.287101 33 N 4.385100 3.786278 4.063633 7.767758 6.736594 34 H 3.817994 3.486697 3.251632 7.461878 6.402090 6 7 8 9 10 6 N 0.000000 7 C 1.364583 0.000000 8 O 2.229491 1.197675 0.000000 9 N 2.330516 1.383373 2.271890 0.000000 10 C 2.708660 2.424431 3.531136 1.400505 0.000000 11 C 2.365616 2.791840 3.989217 2.375109 1.342370 12 H 3.651748 2.327675 2.127291 2.033781 3.337633 13 H 4.419933 3.224948 3.163861 2.720435 3.657884 14 H 5.507527 4.196394 4.074128 3.431428 4.339335 15 H 0.998703 2.006431 2.408650 3.218269 3.706947 16 C 4.227471 3.801803 4.785238 2.523944 1.524482 17 Cl 3.928549 4.521388 5.717448 4.010303 2.720561 18 H 5.068337 3.984920 4.322320 2.888048 3.283617 19 H 4.486319 3.524104 3.859974 2.685149 3.265675 20 H 4.716749 4.536738 5.606759 3.362064 2.124686 21 H 4.707218 4.038193 4.864967 2.665823 2.126034 22 N 4.876908 4.404508 5.278235 3.224535 2.465456 23 C 5.010911 4.851272 5.776748 3.960640 3.076766 24 C 6.208805 5.895876 6.645746 5.029714 4.403370 25 C 7.008847 6.500496 7.218978 5.402206 4.794603 26 C 6.183166 5.559251 6.302097 4.311196 3.729669 27 H 4.203815 4.194884 5.117981 3.567838 2.802937 28 H 5.465437 5.499036 6.526336 4.610849 3.482579 29 H 6.038051 5.619700 6.211289 4.895324 4.556850 30 H 6.885680 6.726621 7.505370 5.948886 5.228268 31 H 7.680217 7.040584 7.621360 5.968481 5.562973 32 H 7.712393 7.307042 8.108951 6.169564 5.382481 33 N 6.871859 6.101464 6.754122 4.770170 4.337113 34 H 6.501851 5.686631 6.332857 4.317093 3.950227 11 12 13 14 15 11 C 0.000000 12 H 4.353029 0.000000 13 H 4.764887 2.447762 0.000000 14 H 5.622514 2.395376 1.760216 0.000000 15 H 3.279198 4.210780 5.027141 6.168124 0.000000 16 C 2.494365 4.037336 3.946228 4.277150 5.224189 17 Cl 1.733216 5.978447 6.214653 7.004749 4.714199 18 H 4.573179 3.031200 1.761990 1.752617 5.890336 19 H 4.275865 2.174539 4.013963 3.372119 5.225891 20 H 2.595994 4.947276 5.024906 5.302171 5.704071 21 H 3.277441 3.659158 3.828910 3.709949 5.686785 22 N 3.332278 4.633287 3.699016 4.268263 5.824493 23 C 3.442890 5.617085 4.445785 5.400128 5.872413 24 C 4.911378 6.386515 4.695439 5.634329 7.009526 25 C 5.548643 6.498771 4.899126 5.363928 7.891521 26 C 4.685456 5.322777 4.144589 4.337060 7.125103 27 H 2.944790 5.335971 4.231275 5.453612 4.990031 28 H 3.560296 6.390955 5.458347 6.314686 6.330746 29 H 5.148275 6.059561 4.092825 5.208104 6.760800 30 H 5.532761 7.401979 5.696305 6.702632 7.637667 31 H 6.426295 6.794598 4.967568 5.312949 8.530672 32 H 6.010399 7.366321 5.926364 6.298866 8.618592 33 N 5.425821 5.406706 4.480791 4.158921 7.827238 34 H 5.102441 4.823795 4.351093 3.805400 7.464182 16 17 18 19 20 16 C 0.000000 17 Cl 3.093227 0.000000 18 H 2.875362 5.716079 0.000000 19 H 3.508343 5.542327 3.572208 0.000000 20 H 1.081171 2.574480 3.910422 4.096943 0.000000 21 H 1.071900 4.000726 2.535416 2.785833 1.736828 22 N 1.446787 3.788266 2.560723 4.574675 2.095985 23 C 2.527268 3.558390 3.712199 5.808255 2.835620 24 C 3.727739 5.063336 3.966526 6.779441 4.134146 25 C 3.703271 5.676683 3.699773 6.573436 4.070713 26 C 2.465250 5.010355 2.649900 5.133788 2.954030 27 H 2.831647 3.305986 3.922726 5.803118 3.235292 28 H 2.833126 3.134358 4.614068 6.308417 2.713475 29 H 4.124813 5.601159 3.702948 6.787115 4.740745 30 H 4.598634 5.430877 5.047373 7.791066 4.839980 31 H 4.512740 6.696160 3.827768 7.012397 4.996548 32 H 4.161112 5.835726 4.626689 7.205265 4.262470 33 N 2.975539 5.801786 2.757704 4.914569 3.413367 34 H 2.628606 5.589437 2.605495 4.047180 3.078241 21 22 23 24 25 21 H 0.000000 22 N 2.063405 0.000000 23 C 3.408521 1.460502 0.000000 24 C 4.379920 2.332876 1.527364 0.000000 25 C 4.045655 2.345269 2.384121 1.528626 0.000000 26 C 2.590605 1.391356 2.346503 2.402718 1.513870 27 H 3.780721 2.104578 1.081180 2.187023 3.329208 28 H 3.779856 2.113562 1.087899 2.173911 2.838184 29 H 4.696793 2.759003 2.150724 1.084605 2.162153 30 H 5.330775 3.279705 2.182206 1.082616 2.197692 31 H 4.689539 3.169532 3.324821 2.211087 1.080857 32 H 4.526688 2.964755 2.868688 2.172732 1.085748 33 N 2.629868 2.402880 3.570584 3.602115 2.428344 34 H 1.969846 2.572956 3.943946 4.289063 3.308684 26 27 28 29 30 26 C 0.000000 27 H 3.235413 0.000000 28 H 2.864449 1.753666 0.000000 29 H 2.887555 2.397006 3.037484 0.000000 30 H 3.331172 2.709882 2.423692 1.754891 0.000000 31 H 2.149497 4.153545 3.887984 2.426763 2.783225 32 H 2.116516 3.906575 2.920213 3.036788 2.424229 33 N 1.256598 4.422054 3.995643 4.000134 4.493401 34 H 1.903371 4.673296 4.344430 4.646298 5.230546 31 32 33 34 31 H 0.000000 32 H 1.748948 0.000000 33 N 2.685934 2.806782 0.000000 34 H 3.642051 3.689908 1.002894 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.352924 2.477560 -0.324882 2 6 0 0.851612 2.788176 0.538095 3 8 0 0.003414 2.530558 -1.666847 4 8 0 -3.547770 -1.912323 0.343028 5 6 0 -2.749654 -1.034993 0.248028 6 7 0 -2.978983 0.204049 0.802066 7 6 0 -2.198689 1.319679 0.709338 8 8 0 -2.544466 2.353120 1.206192 9 7 0 -1.019212 1.177769 0.000525 10 6 0 -0.605704 -0.073477 -0.473615 11 6 0 -1.435727 -1.125923 -0.400297 12 1 0 -1.113783 3.205940 -0.117141 13 1 0 0.576438 2.711087 1.582804 14 1 0 1.160482 3.806776 0.335118 15 1 0 -3.838274 0.323479 1.296802 16 6 0 0.800173 -0.226200 -1.043029 17 17 0 -1.045565 -2.707858 -0.991308 18 1 0 1.684560 2.134358 0.340203 19 1 0 -0.762879 2.693430 -2.201085 20 1 0 0.796097 -1.065259 -1.724860 21 1 0 1.037570 0.650963 -1.611534 22 7 0 1.792543 -0.400720 -0.004792 23 6 0 1.719896 -1.532907 0.914958 24 6 0 2.955037 -1.331957 1.790679 25 6 0 3.965932 -0.740441 0.808388 26 6 0 3.114960 -0.025047 -0.219163 27 1 0 0.797890 -1.513120 1.479283 28 1 0 1.763842 -2.478862 0.379455 29 1 0 2.731947 -0.622203 2.579886 30 1 0 3.287871 -2.253805 2.250543 31 1 0 4.683489 -0.063463 1.250047 32 1 0 4.521091 -1.520561 0.296468 33 7 0 3.609451 0.754081 -1.072086 34 1 0 2.942772 1.140921 -1.713717 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4511529 0.2982137 0.2180136 Standard basis: 6-31G(d) (6D, 7F) There are 319 symmetry adapted cartesian basis functions of A symmetry. There are 319 symmetry adapted basis functions of A symmetry. 319 basis functions, 616 primitive gaussians, 319 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1701.2562224287 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 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= 319 RedAO= T EigKep= 9.52D-04 NBF= 319 NBsUse= 319 1.00D-06 EigRej= -1.00D+00 NBFU= 319 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000014 0.000013 -0.000047 Ang= -0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1327.16363059 A.U. after 8 cycles NFock= 8 Conv=0.63D-08 -V/T= 2.0011 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 -0.000031654 0.000028355 -0.000020755 2 6 0.000006754 -0.000008596 -0.000002960 3 8 0.000007785 -0.000012980 0.000012159 4 8 0.000001516 -0.000000954 -0.000000857 5 6 -0.000001024 0.000005328 0.000005778 6 7 -0.000000872 -0.000002178 -0.000006849 7 6 0.000000393 0.000006372 -0.000000076 8 8 -0.000003227 0.000002206 -0.000001298 9 7 0.000026133 -0.000010469 0.000006104 10 6 0.000002530 -0.000004175 0.000005374 11 6 0.000001855 -0.000001521 0.000002376 12 1 0.000002320 -0.000003512 0.000006033 13 1 0.000000065 -0.000000165 -0.000000053 14 1 -0.000000139 0.000001845 -0.000000522 15 1 -0.000000237 0.000000635 0.000001315 16 6 -0.000008256 -0.000004704 0.000006432 17 17 -0.000000729 -0.000000294 -0.000001407 18 1 -0.000003410 0.000001328 0.000002226 19 1 0.000003039 0.000002392 -0.000005476 20 1 -0.000001901 0.000003650 -0.000003654 21 1 -0.000003373 -0.000000413 -0.000002087 22 7 0.000008118 0.000002339 -0.000010263 23 6 -0.000000109 -0.000005868 0.000009554 24 6 -0.000003960 0.000002237 -0.000002512 25 6 0.000001051 0.000002335 0.000001128 26 6 0.000005840 -0.000001987 0.000006623 27 1 0.000000972 -0.000001629 -0.000000701 28 1 -0.000001437 0.000000238 -0.000000993 29 1 -0.000000595 -0.000000826 -0.000000534 30 1 -0.000001118 -0.000001222 0.000001195 31 1 -0.000000554 -0.000001822 -0.000001478 32 1 -0.000003096 0.000001556 -0.000001672 33 7 -0.000001219 0.000004443 0.000000515 34 1 -0.000001460 -0.000001944 -0.000002663 ------------------------------------------------------------------- Cartesian Forces: Max 0.000031654 RMS 0.000006718 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000021096 RMS 0.000003865 Search for a local minimum. Step number 30 out of a maximum of 197 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 20 21 22 23 24 25 26 27 28 29 30 DE= -3.65D-08 DEPred=-3.15D-08 R= 1.16D+00 Trust test= 1.16D+00 RLast= 2.35D-03 DXMaxT set to 1.59D+00 ITU= 0 0 0 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 ITU= 1 -1 1 1 -1 0 1 0 1 0 Eigenvalues --- 0.00236 0.00300 0.00351 0.00458 0.00596 Eigenvalues --- 0.00841 0.00924 0.01154 0.01255 0.01544 Eigenvalues --- 0.01766 0.01933 0.02094 0.02239 0.02615 Eigenvalues --- 0.03301 0.03384 0.03684 0.04378 0.04920 Eigenvalues --- 0.05129 0.05395 0.05444 0.05673 0.05808 Eigenvalues --- 0.05863 0.05923 0.06298 0.06464 0.06602 Eigenvalues --- 0.06731 0.06998 0.07329 0.08300 0.08590 Eigenvalues --- 0.08959 0.09556 0.10185 0.11013 0.13956 Eigenvalues --- 0.15957 0.15981 0.16060 0.16535 0.16702 Eigenvalues --- 0.17781 0.20377 0.21203 0.21663 0.22210 Eigenvalues --- 0.22947 0.23749 0.24384 0.24852 0.25022 Eigenvalues --- 0.25308 0.26442 0.26638 0.27213 0.28064 Eigenvalues --- 0.28441 0.29289 0.30341 0.31571 0.31991 Eigenvalues --- 0.32643 0.33578 0.33804 0.33834 0.33866 Eigenvalues --- 0.33881 0.33912 0.33925 0.34065 0.34197 Eigenvalues --- 0.34594 0.35065 0.35663 0.36239 0.37001 Eigenvalues --- 0.37924 0.39224 0.39794 0.41466 0.44512 Eigenvalues --- 0.47506 0.48780 0.49449 0.51323 0.56659 Eigenvalues --- 0.56980 0.65327 0.76689 0.85236 0.89811 Eigenvalues --- 0.96523 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 26 25 24 23 22 21 RFO step: Lambda=-2.15876469D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.41924 -0.24527 -0.19962 0.02564 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00033899 RMS(Int)= 0.00000003 Iteration 2 RMS(Cart)= 0.00000008 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86100 -0.00000 -0.00001 0.00001 -0.00000 2.86100 R2 2.62574 0.00001 0.00006 0.00000 0.00006 2.62580 R3 2.82783 -0.00002 -0.00004 -0.00005 -0.00009 2.82775 R4 2.02880 -0.00000 -0.00001 0.00000 -0.00001 2.02879 R5 2.04674 -0.00000 0.00001 -0.00000 0.00001 2.04675 R6 2.04767 -0.00000 0.00000 -0.00001 -0.00000 2.04767 R7 2.03568 0.00000 -0.00002 0.00001 -0.00001 2.03568 R8 1.79190 0.00001 -0.00000 0.00001 0.00001 1.79191 R9 2.24847 -0.00000 0.00001 -0.00000 0.00001 2.24848 R10 2.60122 -0.00001 -0.00002 -0.00000 -0.00002 2.60120 R11 2.77410 0.00000 -0.00002 0.00001 -0.00001 2.77409 R12 2.57869 -0.00000 -0.00001 0.00000 -0.00001 2.57868 R13 1.88728 0.00000 0.00000 -0.00000 0.00000 1.88728 R14 2.26328 -0.00000 -0.00000 0.00000 -0.00000 2.26328 R15 2.61420 0.00001 0.00003 0.00001 0.00004 2.61423 R16 2.64657 0.00001 0.00002 0.00000 0.00002 2.64659 R17 2.53671 0.00000 0.00001 -0.00000 0.00001 2.53672 R18 2.88085 0.00001 0.00001 0.00001 0.00002 2.88087 R19 3.27530 0.00000 -0.00002 0.00002 -0.00001 3.27530 R20 2.04312 0.00000 0.00001 -0.00000 0.00001 2.04312 R21 2.02560 -0.00000 0.00000 -0.00000 -0.00000 2.02560 R22 2.73403 -0.00000 -0.00001 -0.00000 -0.00001 2.73402 R23 2.75995 0.00000 -0.00001 0.00001 0.00001 2.75995 R24 2.62928 0.00000 0.00001 -0.00000 0.00000 2.62928 R25 2.88630 -0.00000 -0.00000 -0.00001 -0.00001 2.88629 R26 2.04313 -0.00000 0.00000 -0.00000 -0.00000 2.04313 R27 2.05583 0.00000 0.00000 0.00000 0.00000 2.05584 R28 2.88868 -0.00000 0.00001 -0.00001 -0.00000 2.88868 R29 2.04961 -0.00000 0.00001 -0.00001 -0.00000 2.04960 R30 2.04585 0.00000 -0.00001 0.00001 0.00000 2.04585 R31 2.86080 0.00000 0.00000 0.00001 0.00001 2.86081 R32 2.04252 -0.00000 0.00000 -0.00000 -0.00000 2.04252 R33 2.05177 0.00000 -0.00000 0.00000 0.00000 2.05177 R34 2.37463 -0.00000 -0.00000 -0.00000 -0.00001 2.37462 R35 1.89519 0.00000 0.00000 -0.00000 0.00000 1.89520 A1 1.91628 -0.00001 0.00003 -0.00005 -0.00003 1.91625 A2 1.99161 -0.00000 0.00005 -0.00002 0.00003 1.99164 A3 1.89058 -0.00000 -0.00001 -0.00003 -0.00005 1.89053 A4 1.93621 0.00001 -0.00003 0.00007 0.00004 1.93625 A5 1.92064 -0.00000 -0.00004 0.00002 -0.00002 1.92062 A6 1.80459 0.00000 0.00000 0.00002 0.00003 1.80462 A7 1.91035 -0.00000 -0.00002 0.00002 0.00000 1.91036 A8 1.88901 -0.00000 -0.00001 -0.00001 -0.00002 1.88899 A9 1.96704 0.00000 0.00005 -0.00001 0.00004 1.96707 A10 1.89654 -0.00000 -0.00001 -0.00000 -0.00001 1.89652 A11 1.90757 -0.00000 0.00001 -0.00002 -0.00001 1.90756 A12 1.89202 0.00000 -0.00002 0.00002 0.00001 1.89202 A13 1.92138 -0.00000 -0.00005 0.00003 -0.00002 1.92136 A14 2.11744 -0.00000 -0.00000 0.00000 -0.00000 2.11744 A15 2.20181 -0.00000 -0.00000 -0.00000 -0.00000 2.20181 A16 1.96344 0.00000 0.00000 0.00000 0.00001 1.96345 A17 2.23102 0.00000 0.00002 -0.00000 0.00001 2.23104 A18 2.03798 0.00000 -0.00001 0.00001 0.00000 2.03798 A19 2.01295 -0.00000 -0.00001 -0.00000 -0.00001 2.01294 A20 2.10851 -0.00001 -0.00001 -0.00001 -0.00003 2.10848 A21 2.02471 0.00000 0.00000 0.00000 0.00000 2.02472 A22 2.14985 0.00000 0.00001 0.00001 0.00002 2.14987 A23 1.98444 -0.00000 -0.00002 0.00004 0.00002 1.98445 A24 2.17845 0.00001 0.00004 -0.00001 0.00002 2.17847 A25 2.11397 -0.00000 -0.00001 -0.00000 -0.00001 2.11396 A26 2.09371 -0.00000 0.00000 -0.00001 -0.00001 2.09370 A27 2.08087 0.00002 -0.00001 0.00005 0.00005 2.08092 A28 2.10840 -0.00002 0.00001 -0.00004 -0.00004 2.10836 A29 2.12821 0.00001 0.00001 0.00001 0.00002 2.12823 A30 1.99173 -0.00000 0.00000 -0.00001 -0.00001 1.99172 A31 2.16250 -0.00000 -0.00001 0.00000 -0.00000 2.16249 A32 1.88580 -0.00001 -0.00003 -0.00004 -0.00007 1.88574 A33 1.89691 -0.00000 -0.00002 -0.00000 -0.00002 1.89689 A34 1.95691 0.00001 0.00008 0.00002 0.00011 1.95702 A35 1.87699 0.00000 -0.00003 0.00001 -0.00002 1.87697 A36 1.94071 -0.00000 -0.00002 0.00001 -0.00002 1.94069 A37 1.90435 -0.00000 0.00001 -0.00000 0.00001 1.90436 A38 2.10750 0.00000 -0.00003 0.00004 0.00001 2.10751 A39 2.10458 0.00000 0.00001 -0.00000 0.00001 2.10458 A40 1.93223 -0.00000 0.00001 -0.00002 -0.00001 1.93222 A41 1.79144 0.00001 -0.00002 0.00005 0.00003 1.79147 A42 1.93578 -0.00000 -0.00000 -0.00001 -0.00002 1.93576 A43 1.94128 -0.00000 -0.00000 0.00000 -0.00000 1.94128 A44 1.96920 -0.00000 0.00004 -0.00001 0.00003 1.96923 A45 1.94331 -0.00000 -0.00002 -0.00001 -0.00003 1.94328 A46 1.88314 0.00000 0.00001 -0.00001 -0.00001 1.88313 A47 1.78980 -0.00000 -0.00001 -0.00003 -0.00004 1.78976 A48 1.91448 0.00000 0.00001 0.00000 0.00001 1.91450 A49 1.96073 0.00000 0.00000 0.00002 0.00002 1.96075 A50 1.92878 0.00000 -0.00002 0.00002 -0.00000 1.92878 A51 1.98138 0.00000 0.00001 -0.00001 -0.00000 1.98138 A52 1.88743 -0.00000 0.00001 -0.00000 0.00001 1.88744 A53 1.82069 0.00000 -0.00002 0.00003 0.00000 1.82069 A54 2.00294 0.00000 -0.00001 0.00002 0.00002 2.00296 A55 1.94237 -0.00000 0.00001 -0.00005 -0.00004 1.94233 A56 1.93323 -0.00000 -0.00000 0.00001 0.00001 1.93324 A57 1.88276 0.00000 0.00001 -0.00001 0.00000 1.88277 A58 1.87888 0.00000 0.00001 -0.00000 0.00000 1.87889 A59 1.87768 0.00000 -0.00001 0.00000 -0.00001 1.87768 A60 2.27314 -0.00000 0.00000 -0.00001 -0.00001 2.27313 A61 2.13236 0.00000 0.00001 0.00001 0.00001 2.13237 A62 1.99525 0.00000 0.00001 0.00000 0.00001 1.99526 D1 -3.10697 -0.00001 -0.00001 -0.00012 -0.00013 -3.10710 D2 1.11194 -0.00000 0.00002 -0.00012 -0.00010 1.11184 D3 -0.98032 -0.00001 0.00003 -0.00014 -0.00011 -0.98043 D4 -0.92093 0.00000 0.00001 -0.00009 -0.00008 -0.92101 D5 -2.98520 0.00000 0.00004 -0.00009 -0.00005 -2.98525 D6 1.20572 0.00000 0.00004 -0.00011 -0.00006 1.20566 D7 1.07844 0.00000 0.00003 -0.00009 -0.00006 1.07838 D8 -0.98583 0.00000 0.00006 -0.00009 -0.00003 -0.98586 D9 -3.07809 0.00000 0.00007 -0.00011 -0.00004 -3.07813 D10 -2.73763 0.00000 -0.00007 -0.00002 -0.00009 -2.73773 D11 1.32806 0.00000 -0.00013 -0.00001 -0.00014 1.32792 D12 -0.65823 -0.00001 -0.00010 -0.00009 -0.00018 -0.65841 D13 1.81372 0.00000 0.00017 -0.00006 0.00011 1.81383 D14 -1.44790 0.00000 0.00027 0.00013 0.00041 -1.44749 D15 -2.29401 -0.00000 0.00022 -0.00009 0.00013 -2.29388 D16 0.72756 -0.00000 0.00032 0.00010 0.00042 0.72798 D17 -0.23577 0.00000 0.00016 -0.00002 0.00013 -0.23564 D18 2.78580 0.00000 0.00026 0.00017 0.00043 2.78623 D19 -3.06976 0.00000 -0.00004 -0.00003 -0.00007 -3.06982 D20 0.01583 0.00000 -0.00009 0.00010 0.00000 0.01583 D21 0.10345 -0.00000 -0.00011 -0.00006 -0.00017 0.10328 D22 -3.09415 0.00000 -0.00016 0.00006 -0.00010 -3.09425 D23 3.12680 -0.00000 -0.00006 0.00004 -0.00003 3.12677 D24 -0.05481 -0.00000 0.00009 -0.00003 0.00007 -0.05474 D25 -0.04824 0.00000 0.00001 0.00007 0.00008 -0.04816 D26 3.05334 0.00000 0.00016 0.00001 0.00017 3.05351 D27 3.09521 0.00000 0.00005 0.00009 0.00013 3.09534 D28 -0.03049 0.00000 0.00003 0.00007 0.00010 -0.03039 D29 0.00894 0.00000 0.00010 -0.00004 0.00006 0.00900 D30 -3.11676 -0.00000 0.00009 -0.00006 0.00003 -3.11673 D31 2.92248 0.00000 0.00025 0.00010 0.00035 2.92283 D32 -0.10403 -0.00000 0.00015 -0.00008 0.00007 -0.10396 D33 -0.20281 0.00000 0.00024 0.00008 0.00032 -0.20249 D34 3.05387 -0.00000 0.00013 -0.00010 0.00003 3.05390 D35 -2.85894 -0.00000 -0.00035 -0.00011 -0.00047 -2.85941 D36 0.30425 -0.00000 -0.00051 -0.00010 -0.00061 0.30365 D37 0.15422 0.00000 -0.00024 0.00010 -0.00015 0.15408 D38 -2.96577 0.00000 -0.00039 0.00011 -0.00029 -2.96605 D39 -0.07214 -0.00000 0.00016 -0.00009 0.00006 -0.07208 D40 3.11346 -0.00000 -0.00002 -0.00002 -0.00004 3.11342 D41 3.04750 -0.00000 0.00031 -0.00010 0.00021 3.04771 D42 -0.05009 -0.00000 0.00014 -0.00003 0.00011 -0.04998 D43 -2.71231 0.00000 0.00025 -0.00002 0.00023 -2.71208 D44 -0.68048 -0.00000 0.00019 -0.00003 0.00016 -0.68032 D45 1.42616 -0.00000 0.00024 -0.00002 0.00023 1.42638 D46 0.45107 0.00000 0.00010 -0.00001 0.00008 0.45116 D47 2.48290 -0.00000 0.00003 -0.00002 0.00001 2.48292 D48 -1.69364 -0.00000 0.00009 -0.00001 0.00008 -1.69356 D49 1.05021 -0.00000 0.00009 0.00002 0.00011 1.05032 D50 -2.68382 -0.00000 0.00008 0.00003 0.00011 -2.68371 D51 -1.06316 0.00000 0.00008 0.00005 0.00013 -1.06303 D52 1.48600 -0.00000 0.00008 0.00006 0.00013 1.48613 D53 -3.13065 0.00000 0.00013 0.00003 0.00016 -3.13049 D54 -0.58149 0.00000 0.00012 0.00004 0.00016 -0.58133 D55 3.11941 -0.00000 -0.00001 -0.00004 -0.00005 3.11936 D56 -1.05626 0.00000 0.00002 -0.00003 -0.00001 -1.05627 D57 1.03965 -0.00000 0.00002 -0.00005 -0.00003 1.03962 D58 0.51755 -0.00000 -0.00001 -0.00004 -0.00005 0.51750 D59 2.62507 0.00000 0.00003 -0.00004 -0.00001 2.62506 D60 -1.56221 -0.00000 0.00003 -0.00006 -0.00003 -1.56224 D61 -2.80996 0.00000 0.00010 0.00002 0.00012 -2.80984 D62 0.33486 -0.00000 0.00016 -0.00008 0.00007 0.33494 D63 -0.20706 0.00000 0.00009 0.00004 0.00013 -0.20694 D64 2.93776 -0.00000 0.00014 -0.00006 0.00008 2.93784 D65 -0.60186 -0.00000 -0.00007 0.00004 -0.00003 -0.60189 D66 1.44796 -0.00000 -0.00009 0.00004 -0.00005 1.44791 D67 -2.73547 0.00000 -0.00007 0.00005 -0.00002 -2.73549 D68 -2.68622 -0.00000 -0.00007 0.00003 -0.00005 -2.68627 D69 -0.63641 -0.00000 -0.00010 0.00003 -0.00006 -0.63647 D70 1.46335 0.00000 -0.00008 0.00005 -0.00003 1.46332 D71 1.47648 0.00000 -0.00010 0.00006 -0.00003 1.47644 D72 -2.75689 0.00000 -0.00012 0.00007 -0.00005 -2.75694 D73 -0.65714 0.00000 -0.00010 0.00008 -0.00002 -0.65716 D74 0.48823 -0.00000 0.00012 -0.00002 0.00010 0.48833 D75 2.60667 0.00000 0.00010 0.00003 0.00012 2.60679 D76 -1.53752 -0.00000 0.00011 -0.00000 0.00011 -1.53741 D77 -1.55139 -0.00000 0.00012 -0.00002 0.00010 -1.55128 D78 0.56705 0.00000 0.00010 0.00003 0.00013 0.56718 D79 2.70605 -0.00000 0.00011 0.00000 0.00012 2.70616 D80 2.60778 -0.00000 0.00012 -0.00002 0.00010 2.60788 D81 -1.55697 0.00000 0.00010 0.00002 0.00012 -1.55685 D82 0.58203 -0.00000 0.00011 -0.00000 0.00011 0.58214 D83 -0.19177 -0.00000 -0.00013 -0.00001 -0.00014 -0.19191 D84 2.94691 0.00000 -0.00017 0.00008 -0.00009 2.94682 D85 -2.35580 -0.00000 -0.00010 -0.00007 -0.00017 -2.35597 D86 0.78287 -0.00000 -0.00015 0.00003 -0.00012 0.78275 D87 1.87517 -0.00000 -0.00012 -0.00007 -0.00018 1.87499 D88 -1.26934 -0.00000 -0.00017 0.00003 -0.00014 -1.26948 D89 -0.03634 -0.00000 0.00005 -0.00003 0.00002 -0.03632 D90 3.10889 -0.00000 0.00011 -0.00015 -0.00004 3.10886 Item Value Threshold Converged? Maximum Force 0.000021 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.001400 0.001800 YES RMS Displacement 0.000339 0.001200 YES Predicted change in Energy=-1.063497D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.514 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3895 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4964 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0736 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0831 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0836 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0772 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9482 -DE/DX = 0.0 ! ! R9 R(4,5) 1.1898 -DE/DX = 0.0 ! ! R10 R(5,6) 1.3765 -DE/DX = 0.0 ! ! R11 R(5,11) 1.468 -DE/DX = 0.0 ! ! R12 R(6,7) 1.3646 -DE/DX = 0.0 ! ! R13 R(6,15) 0.9987 -DE/DX = 0.0 ! ! R14 R(7,8) 1.1977 -DE/DX = 0.0 ! ! R15 R(7,9) 1.3834 -DE/DX = 0.0 ! ! R16 R(9,10) 1.4005 -DE/DX = 0.0 ! ! R17 R(10,11) 1.3424 -DE/DX = 0.0 ! ! R18 R(10,16) 1.5245 -DE/DX = 0.0 ! ! R19 R(11,17) 1.7332 -DE/DX = 0.0 ! ! R20 R(16,20) 1.0812 -DE/DX = 0.0 ! ! R21 R(16,21) 1.0719 -DE/DX = 0.0 ! ! R22 R(16,22) 1.4468 -DE/DX = 0.0 ! ! R23 R(22,23) 1.4605 -DE/DX = 0.0 ! ! R24 R(22,26) 1.3914 -DE/DX = 0.0 ! ! R25 R(23,24) 1.5274 -DE/DX = 0.0 ! ! R26 R(23,27) 1.0812 -DE/DX = 0.0 ! ! R27 R(23,28) 1.0879 -DE/DX = 0.0 ! ! R28 R(24,25) 1.5286 -DE/DX = 0.0 ! ! R29 R(24,29) 1.0846 -DE/DX = 0.0 ! ! R30 R(24,30) 1.0826 -DE/DX = 0.0 ! ! R31 R(25,26) 1.5139 -DE/DX = 0.0 ! ! R32 R(25,31) 1.0809 -DE/DX = 0.0 ! ! R33 R(25,32) 1.0857 -DE/DX = 0.0 ! ! R34 R(26,33) 1.2566 -DE/DX = 0.0 ! ! R35 R(33,34) 1.0029 -DE/DX = 0.0 ! ! A1 A(2,1,3) 109.7948 -DE/DX = 0.0 ! ! A2 A(2,1,9) 114.1109 -DE/DX = 0.0 ! ! A3 A(2,1,12) 108.3223 -DE/DX = 0.0 ! ! A4 A(3,1,9) 110.9368 -DE/DX = 0.0 ! ! A5 A(3,1,12) 110.0448 -DE/DX = 0.0 ! ! A6 A(9,1,12) 103.3954 -DE/DX = 0.0 ! ! A7 A(1,2,13) 109.4552 -DE/DX = 0.0 ! ! A8 A(1,2,14) 108.2325 -DE/DX = 0.0 ! ! A9 A(1,2,18) 112.7028 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.6635 -DE/DX = 0.0 ! ! A11 A(13,2,18) 109.2957 -DE/DX = 0.0 ! ! A12 A(14,2,18) 108.4047 -DE/DX = 0.0 ! ! A13 A(1,3,19) 110.0867 -DE/DX = 0.0 ! ! A14 A(4,5,6) 121.3206 -DE/DX = 0.0 ! ! A15 A(4,5,11) 126.1546 -DE/DX = 0.0 ! ! A16 A(6,5,11) 112.4968 -DE/DX = 0.0 ! ! A17 A(5,6,7) 127.8283 -DE/DX = 0.0 ! ! A18 A(5,6,15) 116.7678 -DE/DX = 0.0 ! ! A19 A(7,6,15) 115.3338 -DE/DX = 0.0 ! ! A20 A(6,7,8) 120.8087 -DE/DX = 0.0 ! ! A21 A(6,7,9) 116.0075 -DE/DX = 0.0 ! ! A22 A(8,7,9) 123.1772 -DE/DX = 0.0 ! ! A23 A(1,9,7) 113.6998 -DE/DX = 0.0 ! ! A24 A(1,9,10) 124.816 -DE/DX = 0.0 ! ! A25 A(7,9,10) 121.1215 -DE/DX = 0.0 ! ! A26 A(9,10,11) 119.9608 -DE/DX = 0.0 ! ! A27 A(9,10,16) 119.2251 -DE/DX = 0.0 ! ! A28 A(11,10,16) 120.8023 -DE/DX = 0.0 ! ! A29 A(5,11,10) 121.9373 -DE/DX = 0.0 ! ! A30 A(5,11,17) 114.1179 -DE/DX = 0.0 ! ! A31 A(10,11,17) 123.902 -DE/DX = 0.0 ! ! A32 A(10,16,20) 108.0485 -DE/DX = 0.0 ! ! A33 A(10,16,21) 108.6849 -DE/DX = 0.0 ! ! A34 A(10,16,22) 112.1229 -DE/DX = 0.0 ! ! A35 A(20,16,21) 107.5438 -DE/DX = 0.0 ! ! A36 A(20,16,22) 111.1943 -DE/DX = 0.0 ! ! A37 A(21,16,22) 109.1112 -DE/DX = 0.0 ! ! A38 A(16,22,23) 120.7511 -DE/DX = 0.0 ! ! A39 A(16,22,26) 120.5834 -DE/DX = 0.0 ! ! A40 A(23,22,26) 110.7085 -DE/DX = 0.0 ! ! A41 A(22,23,24) 102.6417 -DE/DX = 0.0 ! ! A42 A(22,23,27) 110.9118 -DE/DX = 0.0 ! ! A43 A(22,23,28) 111.2271 -DE/DX = 0.0 ! ! A44 A(24,23,27) 112.8269 -DE/DX = 0.0 ! ! A45 A(24,23,28) 111.3436 -DE/DX = 0.0 ! ! A46 A(27,23,28) 107.8957 -DE/DX = 0.0 ! ! A47 A(23,24,25) 102.5481 -DE/DX = 0.0 ! ! A48 A(23,24,29) 109.6918 -DE/DX = 0.0 ! ! A49 A(23,24,30) 112.3417 -DE/DX = 0.0 ! ! A50 A(25,24,29) 110.5108 -DE/DX = 0.0 ! ! A51 A(25,24,30) 113.5246 -DE/DX = 0.0 ! ! A52 A(29,24,30) 108.1416 -DE/DX = 0.0 ! ! A53 A(24,25,26) 104.3176 -DE/DX = 0.0 ! ! A54 A(24,25,31) 114.7599 -DE/DX = 0.0 ! ! A55 A(24,25,32) 111.2896 -DE/DX = 0.0 ! ! A56 A(26,25,31) 110.7659 -DE/DX = 0.0 ! ! A57 A(26,25,32) 107.8743 -DE/DX = 0.0 ! ! A58 A(31,25,32) 107.6521 -DE/DX = 0.0 ! ! A59 A(22,26,25) 107.5833 -DE/DX = 0.0 ! ! A60 A(22,26,33) 130.2412 -DE/DX = 0.0 ! ! A61 A(25,26,33) 122.1752 -DE/DX = 0.0 ! ! A62 A(26,33,34) 114.3194 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) -178.0164 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) 63.7096 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -56.1681 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -52.7653 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -171.0394 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 69.083 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) 61.7902 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) -56.4839 -DE/DX = 0.0 ! ! D9 D(12,1,2,18) -176.3615 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) -156.8549 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) 76.0921 -DE/DX = 0.0 ! ! D12 D(12,1,3,19) -37.7136 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 103.9187 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -82.9583 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -131.4368 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 41.6861 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -13.5087 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 159.6143 -DE/DX = 0.0 ! ! D19 D(4,5,6,7) -175.8841 -DE/DX = 0.0 ! ! D20 D(4,5,6,15) 0.9071 -DE/DX = 0.0 ! ! D21 D(11,5,6,7) 5.9273 -DE/DX = 0.0 ! ! D22 D(11,5,6,15) -177.2816 -DE/DX = 0.0 ! ! D23 D(4,5,11,10) 179.1526 -DE/DX = 0.0 ! ! D24 D(4,5,11,17) -3.1401 -DE/DX = 0.0 ! ! D25 D(6,5,11,10) -2.7639 -DE/DX = 0.0 ! ! D26 D(6,5,11,17) 174.9434 -DE/DX = 0.0 ! ! D27 D(5,6,7,8) 177.3425 -DE/DX = 0.0 ! ! D28 D(5,6,7,9) -1.7472 -DE/DX = 0.0 ! ! D29 D(15,6,7,8) 0.5123 -DE/DX = 0.0 ! ! D30 D(15,6,7,9) -178.5774 -DE/DX = 0.0 ! ! D31 D(6,7,9,1) 167.4456 -DE/DX = 0.0 ! ! D32 D(6,7,9,10) -5.9605 -DE/DX = 0.0 ! ! D33 D(8,7,9,1) -11.6203 -DE/DX = 0.0 ! ! D34 D(8,7,9,10) 174.9736 -DE/DX = 0.0 ! ! D35 D(1,9,10,11) -163.8053 -DE/DX = 0.0 ! ! D36 D(1,9,10,16) 17.4324 -DE/DX = 0.0 ! ! D37 D(7,9,10,11) 8.8364 -DE/DX = 0.0 ! ! D38 D(7,9,10,16) -169.9259 -DE/DX = 0.0 ! ! D39 D(9,10,11,5) -4.1334 -DE/DX = 0.0 ! ! D40 D(9,10,11,17) 178.3879 -DE/DX = 0.0 ! ! D41 D(16,10,11,5) 174.6091 -DE/DX = 0.0 ! ! D42 D(16,10,11,17) -2.8697 -DE/DX = 0.0 ! ! D43 D(9,10,16,20) -155.404 -DE/DX = 0.0 ! ! D44 D(9,10,16,21) -38.9887 -DE/DX = 0.0 ! ! D45 D(9,10,16,22) 81.7128 -DE/DX = 0.0 ! ! D46 D(11,10,16,20) 25.8445 -DE/DX = 0.0 ! ! D47 D(11,10,16,21) 142.2597 -DE/DX = 0.0 ! ! D48 D(11,10,16,22) -97.0387 -DE/DX = 0.0 ! ! D49 D(10,16,22,23) 60.1724 -DE/DX = 0.0 ! ! D50 D(10,16,22,26) -153.7716 -DE/DX = 0.0 ! ! D51 D(20,16,22,23) -60.9147 -DE/DX = 0.0 ! ! D52 D(20,16,22,26) 85.1413 -DE/DX = 0.0 ! ! D53 D(21,16,22,23) -179.373 -DE/DX = 0.0 ! ! D54 D(21,16,22,26) -33.3171 -DE/DX = 0.0 ! ! D55 D(16,22,23,24) 178.7289 -DE/DX = 0.0 ! ! D56 D(16,22,23,27) -60.5191 -DE/DX = 0.0 ! ! D57 D(16,22,23,28) 59.5676 -DE/DX = 0.0 ! ! D58 D(26,22,23,24) 29.6535 -DE/DX = 0.0 ! ! D59 D(26,22,23,27) 150.4055 -DE/DX = 0.0 ! ! D60 D(26,22,23,28) -89.5078 -DE/DX = 0.0 ! ! D61 D(16,22,26,25) -160.9989 -DE/DX = 0.0 ! ! D62 D(16,22,26,33) 19.1863 -DE/DX = 0.0 ! ! D63 D(23,22,26,25) -11.8639 -DE/DX = 0.0 ! ! D64 D(23,22,26,33) 168.3213 -DE/DX = 0.0 ! ! D65 D(22,23,24,25) -34.484 -DE/DX = 0.0 ! ! D66 D(22,23,24,29) 82.962 -DE/DX = 0.0 ! ! D67 D(22,23,24,30) -156.7311 -DE/DX = 0.0 ! ! D68 D(27,23,24,25) -153.9093 -DE/DX = 0.0 ! ! D69 D(27,23,24,29) -36.4633 -DE/DX = 0.0 ! ! D70 D(27,23,24,30) 83.8436 -DE/DX = 0.0 ! ! D71 D(28,23,24,25) 84.5958 -DE/DX = 0.0 ! ! D72 D(28,23,24,29) -157.9582 -DE/DX = 0.0 ! ! D73 D(28,23,24,30) -37.6512 -DE/DX = 0.0 ! ! D74 D(23,24,25,26) 27.9736 -DE/DX = 0.0 ! ! D75 D(23,24,25,31) 149.351 -DE/DX = 0.0 ! ! D76 D(23,24,25,32) -88.0934 -DE/DX = 0.0 ! ! D77 D(29,24,25,26) -88.888 -DE/DX = 0.0 ! ! D78 D(29,24,25,31) 32.4894 -DE/DX = 0.0 ! ! D79 D(29,24,25,32) 155.045 -DE/DX = 0.0 ! ! D80 D(30,24,25,26) 149.4149 -DE/DX = 0.0 ! ! D81 D(30,24,25,31) -89.2077 -DE/DX = 0.0 ! ! D82 D(30,24,25,32) 33.3478 -DE/DX = 0.0 ! ! D83 D(24,25,26,22) -10.9875 -DE/DX = 0.0 ! ! D84 D(24,25,26,33) 168.8455 -DE/DX = 0.0 ! ! D85 D(31,25,26,22) -134.9776 -DE/DX = 0.0 ! ! D86 D(31,25,26,33) 44.8554 -DE/DX = 0.0 ! ! D87 D(32,25,26,22) 107.4392 -DE/DX = 0.0 ! ! D88 D(32,25,26,33) -72.7278 -DE/DX = 0.0 ! ! D89 D(22,26,33,34) -2.0822 -DE/DX = 0.0 ! ! D90 D(25,26,33,34) 178.1264 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.725166 -4.988475 2.654510 2 6 0 6.405722 -5.316030 4.097694 3 8 0 7.158153 -6.133330 1.996873 4 8 0 3.310552 -2.362515 -0.717280 5 6 0 3.940195 -2.982481 0.079536 6 7 0 4.920347 -2.384472 0.838786 7 6 0 5.768772 -2.977537 1.727907 8 8 0 6.612008 -2.339498 2.290300 9 7 0 5.600458 -4.338256 1.911858 10 6 0 4.535884 -5.023438 1.313008 11 6 0 3.763575 -4.402409 0.407568 12 1 0 7.496739 -4.242094 2.640648 13 1 0 6.035740 -4.428253 4.595735 14 1 0 7.321196 -5.630684 4.584569 15 1 0 5.065089 -1.406519 0.697132 16 6 0 4.253070 -6.464131 1.723453 17 17 0 2.447265 -5.163138 -0.424694 18 1 0 5.680301 -6.106574 4.193852 19 1 0 7.681713 -5.897166 1.242384 20 1 0 3.736500 -6.949727 0.907192 21 1 0 5.187129 -6.971370 1.862062 22 7 0 3.485912 -6.541302 2.947670 23 6 0 2.157343 -5.941089 3.035490 24 6 0 1.726853 -6.288887 4.459061 25 6 0 2.358631 -7.664725 4.670297 26 6 0 3.575732 -7.660005 3.770050 27 1 0 2.202998 -4.875279 2.859665 28 1 0 1.480895 -6.372442 2.300726 29 1 0 2.144649 -5.568171 5.153599 30 1 0 0.650586 -6.285032 4.576078 31 1 0 2.638106 -7.882568 5.691419 32 1 0 1.698021 -8.457791 4.333414 33 7 0 4.458265 -8.552292 3.833267 34 1 0 5.197436 -8.450320 3.163174 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513974 0.000000 3 O 1.389481 2.376463 0.000000 4 O 5.470303 6.441063 6.032387 0.000000 5 C 4.290753 5.260216 4.894822 1.189841 0.000000 6 N 3.651719 4.628266 4.516954 2.239032 1.376508 7 C 2.411877 3.389711 3.458576 3.521368 2.461879 8 O 2.676290 3.488405 3.844156 4.466058 3.526966 9 N 1.496424 2.526336 2.378220 4.007441 2.819929 10 C 2.567841 3.366954 2.928451 3.564269 2.458008 11 C 3.763408 4.629543 4.128575 2.373116 1.467991 12 H 1.073593 2.113443 2.026292 5.686181 4.560146 13 H 2.134833 1.083088 3.304721 6.318390 5.184363 14 H 2.119626 1.083581 2.641099 7.407820 6.224104 15 H 4.406539 5.352139 5.330383 2.448038 2.032355 16 C 3.025836 3.404271 2.936612 4.865056 3.862932 17 Cl 5.273749 6.012050 5.384953 2.945226 2.690419 18 H 2.170591 1.077238 2.647919 6.614598 5.451195 19 H 1.932564 3.180986 0.948232 5.953242 4.883295 20 H 3.978913 4.469117 3.682610 4.884962 4.057777 21 H 2.631616 3.036967 2.146024 5.605006 4.543510 22 N 3.604161 3.368848 3.815207 5.561013 4.593231 23 C 4.681627 4.423539 5.111143 5.312191 4.546382 24 C 5.470888 4.792583 5.965366 6.687227 5.917047 25 C 5.503848 4.714147 5.703312 7.618765 6.745358 26 C 4.277901 3.689229 4.278858 6.947650 5.969251 27 H 4.528234 4.403393 5.184656 4.509456 3.785453 28 H 5.435339 5.347805 5.690409 5.341865 4.740641 29 H 5.250013 4.397187 5.951432 6.789903 5.971256 30 H 6.501846 5.855715 7.001695 7.105012 6.476671 31 H 5.856847 4.829286 6.094286 8.484963 7.563037 32 H 6.334592 5.664686 6.377741 8.078499 7.287101 33 N 4.385100 3.786278 4.063633 7.767758 6.736594 34 H 3.817994 3.486697 3.251632 7.461878 6.402090 6 7 8 9 10 6 N 0.000000 7 C 1.364583 0.000000 8 O 2.229491 1.197675 0.000000 9 N 2.330516 1.383373 2.271890 0.000000 10 C 2.708660 2.424431 3.531136 1.400505 0.000000 11 C 2.365616 2.791840 3.989217 2.375109 1.342370 12 H 3.651748 2.327675 2.127291 2.033781 3.337633 13 H 4.419933 3.224948 3.163861 2.720435 3.657884 14 H 5.507527 4.196394 4.074128 3.431428 4.339335 15 H 0.998703 2.006431 2.408650 3.218269 3.706947 16 C 4.227471 3.801803 4.785238 2.523944 1.524482 17 Cl 3.928549 4.521388 5.717448 4.010303 2.720561 18 H 5.068337 3.984920 4.322320 2.888048 3.283617 19 H 4.486319 3.524104 3.859974 2.685149 3.265675 20 H 4.716749 4.536738 5.606759 3.362064 2.124686 21 H 4.707218 4.038193 4.864967 2.665823 2.126034 22 N 4.876908 4.404508 5.278235 3.224535 2.465456 23 C 5.010911 4.851272 5.776748 3.960640 3.076766 24 C 6.208805 5.895876 6.645746 5.029714 4.403370 25 C 7.008847 6.500496 7.218978 5.402206 4.794603 26 C 6.183166 5.559251 6.302097 4.311196 3.729669 27 H 4.203815 4.194884 5.117981 3.567838 2.802937 28 H 5.465437 5.499036 6.526336 4.610849 3.482579 29 H 6.038051 5.619700 6.211289 4.895324 4.556850 30 H 6.885680 6.726621 7.505370 5.948886 5.228268 31 H 7.680217 7.040584 7.621360 5.968481 5.562973 32 H 7.712393 7.307042 8.108951 6.169564 5.382481 33 N 6.871859 6.101464 6.754122 4.770170 4.337113 34 H 6.501851 5.686631 6.332857 4.317093 3.950227 11 12 13 14 15 11 C 0.000000 12 H 4.353029 0.000000 13 H 4.764887 2.447762 0.000000 14 H 5.622514 2.395376 1.760216 0.000000 15 H 3.279198 4.210780 5.027141 6.168124 0.000000 16 C 2.494365 4.037336 3.946228 4.277150 5.224189 17 Cl 1.733216 5.978447 6.214653 7.004749 4.714199 18 H 4.573179 3.031200 1.761990 1.752617 5.890336 19 H 4.275865 2.174539 4.013963 3.372119 5.225891 20 H 2.595994 4.947276 5.024906 5.302171 5.704071 21 H 3.277441 3.659158 3.828910 3.709949 5.686785 22 N 3.332278 4.633287 3.699016 4.268263 5.824493 23 C 3.442890 5.617085 4.445785 5.400128 5.872413 24 C 4.911378 6.386515 4.695439 5.634329 7.009526 25 C 5.548643 6.498771 4.899126 5.363928 7.891521 26 C 4.685456 5.322777 4.144589 4.337060 7.125103 27 H 2.944790 5.335971 4.231275 5.453612 4.990031 28 H 3.560296 6.390955 5.458347 6.314686 6.330746 29 H 5.148275 6.059561 4.092825 5.208104 6.760800 30 H 5.532761 7.401979 5.696305 6.702632 7.637667 31 H 6.426295 6.794598 4.967568 5.312949 8.530672 32 H 6.010399 7.366321 5.926364 6.298866 8.618592 33 N 5.425821 5.406706 4.480791 4.158921 7.827238 34 H 5.102441 4.823795 4.351093 3.805400 7.464182 16 17 18 19 20 16 C 0.000000 17 Cl 3.093227 0.000000 18 H 2.875362 5.716079 0.000000 19 H 3.508343 5.542327 3.572208 0.000000 20 H 1.081171 2.574480 3.910422 4.096943 0.000000 21 H 1.071900 4.000726 2.535416 2.785833 1.736828 22 N 1.446787 3.788266 2.560723 4.574675 2.095985 23 C 2.527268 3.558390 3.712199 5.808255 2.835620 24 C 3.727739 5.063336 3.966526 6.779441 4.134146 25 C 3.703271 5.676683 3.699773 6.573436 4.070713 26 C 2.465250 5.010355 2.649900 5.133788 2.954030 27 H 2.831647 3.305986 3.922726 5.803118 3.235292 28 H 2.833126 3.134358 4.614068 6.308417 2.713475 29 H 4.124813 5.601159 3.702948 6.787115 4.740745 30 H 4.598634 5.430877 5.047373 7.791066 4.839980 31 H 4.512740 6.696160 3.827768 7.012397 4.996548 32 H 4.161112 5.835726 4.626689 7.205265 4.262470 33 N 2.975539 5.801786 2.757704 4.914569 3.413367 34 H 2.628606 5.589437 2.605495 4.047180 3.078241 21 22 23 24 25 21 H 0.000000 22 N 2.063405 0.000000 23 C 3.408521 1.460502 0.000000 24 C 4.379920 2.332876 1.527364 0.000000 25 C 4.045655 2.345269 2.384121 1.528626 0.000000 26 C 2.590605 1.391356 2.346503 2.402718 1.513870 27 H 3.780721 2.104578 1.081180 2.187023 3.329208 28 H 3.779856 2.113562 1.087899 2.173911 2.838184 29 H 4.696793 2.759003 2.150724 1.084605 2.162153 30 H 5.330775 3.279705 2.182206 1.082616 2.197692 31 H 4.689539 3.169532 3.324821 2.211087 1.080857 32 H 4.526688 2.964755 2.868688 2.172732 1.085748 33 N 2.629868 2.402880 3.570584 3.602115 2.428344 34 H 1.969846 2.572956 3.943946 4.289063 3.308684 26 27 28 29 30 26 C 0.000000 27 H 3.235413 0.000000 28 H 2.864449 1.753666 0.000000 29 H 2.887555 2.397006 3.037484 0.000000 30 H 3.331172 2.709882 2.423692 1.754891 0.000000 31 H 2.149497 4.153545 3.887984 2.426763 2.783225 32 H 2.116516 3.906575 2.920213 3.036788 2.424229 33 N 1.256598 4.422054 3.995643 4.000134 4.493401 34 H 1.903371 4.673296 4.344430 4.646298 5.230546 31 32 33 34 31 H 0.000000 32 H 1.748948 0.000000 33 N 2.685934 2.806782 0.000000 34 H 3.642051 3.689908 1.002894 0.000000 Stoichiometry C11H15ClN4O3 Framework group C1[X(C11H15ClN4O3)] Deg. of freedom 96 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 -0.352924 2.477560 -0.324882 2 6 0 0.851612 2.788176 0.538095 3 8 0 0.003414 2.530558 -1.666847 4 8 0 -3.547770 -1.912323 0.343028 5 6 0 -2.749654 -1.034993 0.248028 6 7 0 -2.978983 0.204049 0.802066 7 6 0 -2.198689 1.319679 0.709338 8 8 0 -2.544466 2.353120 1.206192 9 7 0 -1.019212 1.177769 0.000525 10 6 0 -0.605704 -0.073477 -0.473615 11 6 0 -1.435727 -1.125923 -0.400297 12 1 0 -1.113783 3.205940 -0.117141 13 1 0 0.576438 2.711087 1.582804 14 1 0 1.160482 3.806776 0.335118 15 1 0 -3.838274 0.323479 1.296802 16 6 0 0.800173 -0.226200 -1.043029 17 17 0 -1.045565 -2.707858 -0.991308 18 1 0 1.684560 2.134358 0.340203 19 1 0 -0.762879 2.693430 -2.201085 20 1 0 0.796097 -1.065259 -1.724860 21 1 0 1.037570 0.650963 -1.611534 22 7 0 1.792543 -0.400720 -0.004792 23 6 0 1.719896 -1.532907 0.914958 24 6 0 2.955037 -1.331957 1.790679 25 6 0 3.965932 -0.740441 0.808388 26 6 0 3.114960 -0.025047 -0.219163 27 1 0 0.797890 -1.513120 1.479283 28 1 0 1.763842 -2.478862 0.379455 29 1 0 2.731947 -0.622203 2.579886 30 1 0 3.287871 -2.253805 2.250543 31 1 0 4.683489 -0.063463 1.250047 32 1 0 4.521091 -1.520561 0.296468 33 7 0 3.609451 0.754081 -1.072086 34 1 0 2.942772 1.140921 -1.713717 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4511529 0.2982137 0.2180136 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -104.84346 -20.60550 -20.55869 -20.55787 -15.64900 Alpha occ. eigenvalues -- -15.63528 -15.59682 -15.52493 -11.42171 -11.38976 Alpha occ. eigenvalues -- -11.35260 -11.35178 -11.31558 -11.31522 -11.29532 Alpha occ. eigenvalues -- -11.27249 -11.23888 -11.23516 -11.22923 -10.57627 Alpha occ. eigenvalues -- -8.04575 -8.04222 -8.04219 -1.46054 -1.42918 Alpha occ. eigenvalues -- -1.42178 -1.32037 -1.30392 -1.26191 -1.18776 Alpha occ. eigenvalues -- -1.17486 -1.10015 -1.06333 -1.03032 -0.98425 Alpha occ. eigenvalues -- -0.96376 -0.91809 -0.89437 -0.85882 -0.83476 Alpha occ. eigenvalues -- -0.80487 -0.76844 -0.75728 -0.73583 -0.71403 Alpha occ. eigenvalues -- -0.70362 -0.68616 -0.68512 -0.67130 -0.66354 Alpha occ. eigenvalues -- -0.64280 -0.63493 -0.62813 -0.59960 -0.58863 Alpha occ. eigenvalues -- -0.58668 -0.58018 -0.57436 -0.56408 -0.55603 Alpha occ. eigenvalues -- -0.53540 -0.53123 -0.52857 -0.51900 -0.51160 Alpha occ. eigenvalues -- -0.50200 -0.48012 -0.47721 -0.47362 -0.45330 Alpha occ. eigenvalues -- -0.45219 -0.44018 -0.41282 -0.35755 -0.35505 Alpha virt. eigenvalues -- 0.09089 0.17071 0.18507 0.18842 0.19816 Alpha virt. eigenvalues -- 0.22250 0.24487 0.25321 0.26121 0.27030 Alpha virt. eigenvalues -- 0.27870 0.29103 0.30266 0.30539 0.31322 Alpha virt. eigenvalues -- 0.31801 0.32366 0.33452 0.34164 0.34527 Alpha virt. eigenvalues -- 0.35569 0.36913 0.37179 0.39038 0.40018 Alpha virt. eigenvalues -- 0.40585 0.41175 0.42674 0.43323 0.43518 Alpha virt. eigenvalues -- 0.45617 0.47459 0.50555 0.51144 0.52644 Alpha virt. eigenvalues -- 0.54522 0.55905 0.58591 0.61575 0.62916 Alpha virt. eigenvalues -- 0.64993 0.66793 0.67861 0.68374 0.69532 Alpha virt. eigenvalues -- 0.72068 0.72614 0.73584 0.74030 0.75526 Alpha virt. eigenvalues -- 0.76639 0.78301 0.79031 0.79801 0.81397 Alpha virt. eigenvalues -- 0.81897 0.82410 0.84996 0.86253 0.86896 Alpha virt. eigenvalues -- 0.87832 0.88607 0.90720 0.91077 0.92127 Alpha virt. eigenvalues -- 0.93315 0.95389 0.95795 0.96674 0.97896 Alpha virt. eigenvalues -- 0.99535 1.01505 1.02218 1.03085 1.03951 Alpha virt. eigenvalues -- 1.04923 1.05127 1.06836 1.07967 1.08662 Alpha virt. eigenvalues -- 1.10364 1.11402 1.11615 1.12328 1.12747 Alpha virt. eigenvalues -- 1.13332 1.13579 1.14415 1.15464 1.16051 Alpha virt. eigenvalues -- 1.16598 1.17438 1.18388 1.19010 1.19990 Alpha virt. eigenvalues -- 1.20287 1.22163 1.22881 1.24324 1.24540 Alpha virt. eigenvalues -- 1.25330 1.28133 1.29289 1.29722 1.31488 Alpha virt. eigenvalues -- 1.33210 1.33474 1.34283 1.36317 1.36791 Alpha virt. eigenvalues -- 1.38027 1.38606 1.39682 1.40836 1.42226 Alpha virt. eigenvalues -- 1.44643 1.45409 1.48325 1.50155 1.51318 Alpha virt. eigenvalues -- 1.53815 1.55729 1.59560 1.60452 1.62840 Alpha virt. eigenvalues -- 1.64085 1.64989 1.66196 1.67511 1.70564 Alpha virt. eigenvalues -- 1.72294 1.74477 1.76388 1.78384 1.80479 Alpha virt. eigenvalues -- 1.82303 1.83271 1.86556 1.87773 1.92128 Alpha virt. eigenvalues -- 1.93864 1.94754 1.97638 1.99653 2.01517 Alpha virt. eigenvalues -- 2.02930 2.05057 2.05363 2.07109 2.07751 Alpha virt. eigenvalues -- 2.09227 2.09311 2.10484 2.11640 2.13590 Alpha virt. eigenvalues -- 2.14603 2.15723 2.17726 2.19029 2.20982 Alpha virt. eigenvalues -- 2.21863 2.23063 2.26020 2.27675 2.27978 Alpha virt. eigenvalues -- 2.28690 2.29760 2.31259 2.31705 2.33095 Alpha virt. eigenvalues -- 2.35024 2.36734 2.37537 2.40133 2.42913 Alpha virt. eigenvalues -- 2.43230 2.47183 2.48997 2.51427 2.52441 Alpha virt. eigenvalues -- 2.52650 2.53807 2.54714 2.56015 2.58034 Alpha virt. eigenvalues -- 2.60726 2.62335 2.63437 2.64843 2.65807 Alpha virt. eigenvalues -- 2.69338 2.71694 2.72463 2.75534 2.76638 Alpha virt. eigenvalues -- 2.78532 2.81402 2.82810 2.87120 2.88958 Alpha virt. eigenvalues -- 2.91466 2.94342 2.94952 2.96833 2.97896 Alpha virt. eigenvalues -- 2.99948 3.01994 3.03015 3.03370 3.07706 Alpha virt. eigenvalues -- 3.10310 3.10541 3.10882 3.16645 3.17035 Alpha virt. eigenvalues -- 3.22746 3.24170 3.27933 3.35929 3.37774 Alpha virt. eigenvalues -- 3.41808 3.42058 3.51778 3.65589 3.79630 Alpha virt. eigenvalues -- 4.23815 4.39271 4.39870 4.44783 4.50371 Alpha virt. eigenvalues -- 4.52820 4.58104 4.62008 4.62506 4.65758 Alpha virt. eigenvalues -- 4.73482 4.77673 4.80692 4.89392 4.95996 Alpha virt. eigenvalues -- 4.98383 5.02662 5.07102 5.14050 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.665481 0.376521 0.220857 0.000001 -0.000094 0.001195 2 C 0.376521 5.131712 -0.060876 0.000000 0.000009 -0.000158 3 O 0.220857 -0.060876 8.407227 -0.000000 0.000009 -0.000046 4 O 0.000001 0.000000 -0.000000 8.065475 0.659566 -0.094163 5 C -0.000094 0.000009 0.000009 0.659566 4.026115 0.251970 6 N 0.001195 -0.000158 -0.000046 -0.094163 0.251970 7.505486 7 C -0.026491 0.000287 0.001547 0.000909 -0.014487 0.297479 8 O -0.008009 -0.000505 0.000277 -0.000022 0.000592 -0.092524 9 N 0.154849 -0.067818 -0.067197 0.000036 -0.005027 -0.119279 10 C -0.018616 -0.000265 0.009968 0.002830 -0.065605 0.003070 11 C 0.000942 -0.000115 0.000226 -0.086964 0.334392 -0.130033 12 H 0.434806 -0.042526 -0.031489 0.000000 -0.000034 0.000644 13 H -0.036107 0.385846 0.002907 0.000000 0.000001 -0.000002 14 H -0.036556 0.386942 0.001684 0.000000 -0.000000 0.000002 15 H -0.000024 0.000003 0.000001 0.004351 -0.009524 0.301809 16 C -0.000226 -0.001310 -0.018505 -0.000046 0.001789 -0.000184 17 Cl -0.000038 0.000002 -0.000002 0.008006 -0.058709 0.003216 18 H -0.026389 0.381467 -0.000557 0.000000 -0.000001 0.000002 19 H -0.021895 0.005825 0.260770 0.000000 0.000002 -0.000009 20 H 0.000038 0.000045 0.000235 0.000001 0.000164 -0.000001 21 H -0.003647 -0.001095 0.008903 0.000000 0.000004 0.000005 22 N 0.000163 -0.000298 0.000521 0.000000 -0.000045 0.000012 23 C -0.000034 0.000050 -0.000002 0.000000 -0.000008 -0.000017 24 C 0.000005 -0.000009 0.000000 -0.000000 -0.000001 0.000000 25 C -0.000004 0.000062 -0.000000 0.000000 -0.000000 0.000000 26 C 0.000103 -0.002484 -0.000060 -0.000000 0.000000 -0.000000 27 H 0.000013 -0.000012 0.000000 -0.000006 -0.000008 -0.000022 28 H -0.000000 0.000000 0.000000 0.000000 0.000002 0.000001 29 H -0.000001 0.000006 -0.000000 -0.000000 -0.000000 -0.000000 30 H -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 31 H 0.000000 0.000012 -0.000000 -0.000000 0.000000 -0.000000 32 H 0.000000 -0.000002 0.000000 -0.000000 0.000000 0.000000 33 N -0.000081 -0.001811 -0.000118 0.000000 -0.000000 -0.000000 34 H -0.000211 0.000150 0.000791 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 C -0.026491 -0.008009 0.154849 -0.018616 0.000942 0.434806 2 C 0.000287 -0.000505 -0.067818 -0.000265 -0.000115 -0.042526 3 O 0.001547 0.000277 -0.067197 0.009968 0.000226 -0.031489 4 O 0.000909 -0.000022 0.000036 0.002830 -0.086964 0.000000 5 C -0.014487 0.000592 -0.005027 -0.065605 0.334392 -0.000034 6 N 0.297479 -0.092524 -0.119279 0.003070 -0.130033 0.000644 7 C 3.781462 0.648577 0.289568 -0.032838 -0.002007 -0.005265 8 O 0.648577 8.149906 -0.097017 0.000567 0.000165 0.009500 9 N 0.289568 -0.097017 7.662798 0.246245 -0.052340 -0.053054 10 C -0.032838 0.000567 0.246245 4.743958 0.532791 0.003202 11 C -0.002007 0.000165 -0.052340 0.532791 5.623725 0.000041 12 H -0.005265 0.009500 -0.053054 0.003202 0.000041 0.447760 13 H 0.000674 0.001513 -0.000391 0.000092 -0.000009 -0.001652 14 H -0.000009 0.000012 0.004521 -0.000116 0.000001 -0.002473 15 H -0.010974 0.003714 0.003760 -0.000898 0.005591 -0.000001 16 C 0.001277 -0.000058 -0.040421 0.323606 -0.032757 -0.000237 17 Cl -0.000043 0.000002 0.002213 -0.079332 0.218809 0.000001 18 H 0.000005 -0.000014 -0.002601 0.000544 0.000002 0.003386 19 H 0.000371 0.000006 0.003268 -0.000359 -0.000127 -0.006286 20 H -0.000032 0.000000 0.002659 -0.048897 -0.003728 0.000004 21 H -0.000144 -0.000002 -0.002934 -0.037150 0.002778 0.000273 22 N -0.000060 0.000001 0.003903 -0.059886 -0.005821 0.000008 23 C 0.000054 -0.000000 0.000189 -0.003779 -0.001133 0.000000 24 C -0.000001 0.000000 -0.000027 0.000003 0.000070 -0.000000 25 C 0.000000 -0.000000 0.000003 -0.000117 -0.000013 -0.000000 26 C 0.000003 -0.000000 -0.000001 0.003401 -0.000160 -0.000004 27 H 0.000074 -0.000000 -0.000015 0.003463 -0.000015 0.000000 28 H -0.000002 0.000000 0.000004 -0.000872 -0.000109 0.000000 29 H -0.000000 0.000000 -0.000000 0.000023 0.000006 0.000000 30 H 0.000000 0.000000 0.000000 -0.000005 -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 -0.000003 0.000000 0.000000 33 N 0.000000 0.000000 0.000046 0.000053 -0.000023 -0.000002 34 H 0.000000 -0.000000 0.000057 -0.000072 -0.000013 0.000001 13 14 15 16 17 18 1 C -0.036107 -0.036556 -0.000024 -0.000226 -0.000038 -0.026389 2 C 0.385846 0.386942 0.000003 -0.001310 0.000002 0.381467 3 O 0.002907 0.001684 0.000001 -0.018505 -0.000002 -0.000557 4 O 0.000000 0.000000 0.004351 -0.000046 0.008006 0.000000 5 C 0.000001 -0.000000 -0.009524 0.001789 -0.058709 -0.000001 6 N -0.000002 0.000002 0.301809 -0.000184 0.003216 0.000002 7 C 0.000674 -0.000009 -0.010974 0.001277 -0.000043 0.000005 8 O 0.001513 0.000012 0.003714 -0.000058 0.000002 -0.000014 9 N -0.000391 0.004521 0.003760 -0.040421 0.002213 -0.002601 10 C 0.000092 -0.000116 -0.000898 0.323606 -0.079332 0.000544 11 C -0.000009 0.000001 0.005591 -0.032757 0.218809 0.000002 12 H -0.001652 -0.002473 -0.000001 -0.000237 0.000001 0.003386 13 H 0.508798 -0.022653 -0.000000 0.000126 0.000000 -0.022267 14 H -0.022653 0.506289 -0.000000 0.000002 -0.000000 -0.023237 15 H -0.000000 -0.000000 0.271685 0.000008 -0.000090 0.000000 16 C 0.000126 0.000002 0.000008 5.008748 -0.008554 -0.002747 17 Cl 0.000000 -0.000000 -0.000090 -0.008554 16.867313 -0.000001 18 H -0.022267 -0.023237 0.000000 -0.002747 -0.000001 0.482412 19 H -0.000166 -0.000245 -0.000000 0.000632 0.000002 -0.000167 20 H -0.000002 0.000002 -0.000000 0.412633 -0.004412 0.000104 21 H 0.000036 -0.000007 -0.000000 0.399331 0.000807 0.000260 22 N -0.000253 0.000208 -0.000000 0.213760 0.001104 -0.004039 23 C 0.000013 -0.000003 -0.000000 -0.039016 -0.003215 0.000122 24 C -0.000005 0.000001 0.000000 0.004184 0.000068 -0.000052 25 C -0.000000 -0.000000 -0.000000 0.004788 0.000014 -0.000377 26 C 0.000129 -0.000020 0.000000 -0.032116 -0.000025 0.002764 27 H 0.000007 -0.000001 -0.000000 -0.003019 -0.001419 0.000019 28 H -0.000000 0.000000 0.000000 0.000189 -0.000476 -0.000002 29 H 0.000021 0.000000 0.000000 -0.000235 -0.000004 0.000074 30 H -0.000000 0.000000 -0.000000 -0.000059 -0.000002 -0.000000 31 H -0.000001 -0.000001 0.000000 -0.000055 0.000000 0.000004 32 H 0.000000 0.000000 0.000000 -0.000292 -0.000002 0.000012 33 N 0.000045 -0.000082 -0.000000 -0.002721 -0.000001 0.003974 34 H 0.000009 0.000022 -0.000000 0.001486 0.000001 -0.000573 19 20 21 22 23 24 1 C -0.021895 0.000038 -0.003647 0.000163 -0.000034 0.000005 2 C 0.005825 0.000045 -0.001095 -0.000298 0.000050 -0.000009 3 O 0.260770 0.000235 0.008903 0.000521 -0.000002 0.000000 4 O 0.000000 0.000001 0.000000 0.000000 0.000000 -0.000000 5 C 0.000002 0.000164 0.000004 -0.000045 -0.000008 -0.000001 6 N -0.000009 -0.000001 0.000005 0.000012 -0.000017 0.000000 7 C 0.000371 -0.000032 -0.000144 -0.000060 0.000054 -0.000001 8 O 0.000006 0.000000 -0.000002 0.000001 -0.000000 0.000000 9 N 0.003268 0.002659 -0.002934 0.003903 0.000189 -0.000027 10 C -0.000359 -0.048897 -0.037150 -0.059886 -0.003779 0.000003 11 C -0.000127 -0.003728 0.002778 -0.005821 -0.001133 0.000070 12 H -0.006286 0.000004 0.000273 0.000008 0.000000 -0.000000 13 H -0.000166 -0.000002 0.000036 -0.000253 0.000013 -0.000005 14 H -0.000245 0.000002 -0.000007 0.000208 -0.000003 0.000001 15 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 16 C 0.000632 0.412633 0.399331 0.213760 -0.039016 0.004184 17 Cl 0.000002 -0.004412 0.000807 0.001104 -0.003215 0.000068 18 H -0.000167 0.000104 0.000260 -0.004039 0.000122 -0.000052 19 H 0.302212 -0.000030 -0.000217 -0.000015 0.000000 -0.000000 20 H -0.000030 0.481970 -0.022796 -0.046053 -0.001080 0.000042 21 H -0.000217 -0.022796 0.427602 -0.042352 0.003092 -0.000199 22 N -0.000015 -0.046053 -0.042352 7.482862 0.219873 -0.044444 23 C 0.000000 -0.001080 0.003092 0.219873 4.954861 0.334849 24 C -0.000000 0.000042 -0.000199 -0.044444 0.334849 5.146062 25 C 0.000000 -0.000295 0.000429 -0.104966 -0.063959 0.312737 26 C 0.000002 -0.000160 -0.000142 0.279516 -0.052309 -0.070194 27 H 0.000000 -0.000619 -0.000057 -0.043584 0.413939 -0.030543 28 H -0.000000 0.003656 -0.000118 -0.055273 0.404372 -0.037449 29 H -0.000000 0.000005 0.000007 0.001455 -0.039240 0.398876 30 H 0.000000 0.000009 0.000001 0.002912 -0.035444 0.402311 31 H 0.000000 -0.000007 -0.000004 0.003105 0.004592 -0.030314 32 H -0.000000 0.000051 -0.000005 0.001586 0.001780 -0.039480 33 N 0.000003 0.001454 0.004077 -0.102618 0.002757 0.002314 34 H -0.000022 0.000181 0.006502 -0.013413 0.000037 -0.000359 25 26 27 28 29 30 1 C -0.000004 0.000103 0.000013 -0.000000 -0.000001 -0.000000 2 C 0.000062 -0.002484 -0.000012 0.000000 0.000006 0.000000 3 O -0.000000 -0.000060 0.000000 0.000000 -0.000000 -0.000000 4 O 0.000000 -0.000000 -0.000006 0.000000 -0.000000 0.000000 5 C -0.000000 0.000000 -0.000008 0.000002 -0.000000 0.000000 6 N 0.000000 -0.000000 -0.000022 0.000001 -0.000000 0.000000 7 C 0.000000 0.000003 0.000074 -0.000002 -0.000000 0.000000 8 O -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 9 N 0.000003 -0.000001 -0.000015 0.000004 -0.000000 0.000000 10 C -0.000117 0.003401 0.003463 -0.000872 0.000023 -0.000005 11 C -0.000013 -0.000160 -0.000015 -0.000109 0.000006 -0.000000 12 H -0.000000 -0.000004 0.000000 0.000000 0.000000 -0.000000 13 H -0.000000 0.000129 0.000007 -0.000000 0.000021 -0.000000 14 H -0.000000 -0.000020 -0.000001 0.000000 0.000000 0.000000 15 H -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 16 C 0.004788 -0.032116 -0.003019 0.000189 -0.000235 -0.000059 17 Cl 0.000014 -0.000025 -0.001419 -0.000476 -0.000004 -0.000002 18 H -0.000377 0.002764 0.000019 -0.000002 0.000074 -0.000000 19 H 0.000000 0.000002 0.000000 -0.000000 -0.000000 0.000000 20 H -0.000295 -0.000160 -0.000619 0.003656 0.000005 0.000009 21 H 0.000429 -0.000142 -0.000057 -0.000118 0.000007 0.000001 22 N -0.104966 0.279516 -0.043584 -0.055273 0.001455 0.002912 23 C -0.063959 -0.052309 0.413939 0.404372 -0.039240 -0.035444 24 C 0.312737 -0.070194 -0.030543 -0.037449 0.398876 0.402311 25 C 5.216137 0.362423 0.004262 -0.003266 -0.037857 -0.033151 26 C 0.362423 4.359553 0.002651 0.000427 -0.000097 0.004755 27 H 0.004262 0.002651 0.510056 -0.036655 -0.004902 -0.000162 28 H -0.003266 0.000427 -0.036655 0.543647 0.003941 -0.001058 29 H -0.037857 -0.000097 -0.004902 0.003941 0.517632 -0.022378 30 H -0.033151 0.004755 -0.000162 -0.001058 -0.022378 0.499973 31 H 0.394597 -0.029498 -0.000029 -0.000197 -0.003995 0.000041 32 H 0.391441 -0.033185 -0.000114 0.001750 0.003573 -0.003702 33 N -0.065349 0.671534 -0.000074 -0.000010 -0.000205 -0.000025 34 H 0.007759 -0.058891 -0.000009 0.000004 0.000002 0.000005 31 32 33 34 1 C 0.000000 0.000000 -0.000081 -0.000211 2 C 0.000012 -0.000002 -0.001811 0.000150 3 O -0.000000 0.000000 -0.000118 0.000791 4 O -0.000000 -0.000000 0.000000 0.000000 5 C 0.000000 0.000000 -0.000000 0.000000 6 N -0.000000 0.000000 -0.000000 0.000000 7 C -0.000000 -0.000000 0.000000 0.000000 8 O -0.000000 0.000000 0.000000 -0.000000 9 N -0.000000 0.000000 0.000046 0.000057 10 C 0.000006 -0.000003 0.000053 -0.000072 11 C 0.000000 0.000000 -0.000023 -0.000013 12 H 0.000000 0.000000 -0.000002 0.000001 13 H -0.000001 0.000000 0.000045 0.000009 14 H -0.000001 0.000000 -0.000082 0.000022 15 H 0.000000 0.000000 -0.000000 -0.000000 16 C -0.000055 -0.000292 -0.002721 0.001486 17 Cl 0.000000 -0.000002 -0.000001 0.000001 18 H 0.000004 0.000012 0.003974 -0.000573 19 H 0.000000 -0.000000 0.000003 -0.000022 20 H -0.000007 0.000051 0.001454 0.000181 21 H -0.000004 -0.000005 0.004077 0.006502 22 N 0.003105 0.001586 -0.102618 -0.013413 23 C 0.004592 0.001780 0.002757 0.000037 24 C -0.030314 -0.039480 0.002314 -0.000359 25 C 0.394597 0.391441 -0.065349 0.007759 26 C -0.029498 -0.033185 0.671534 -0.058891 27 H -0.000029 -0.000114 -0.000074 -0.000009 28 H -0.000197 0.001750 -0.000010 0.000004 29 H -0.003995 0.003573 -0.000205 0.000002 30 H 0.000041 -0.003702 -0.000025 0.000005 31 H 0.466672 -0.017893 0.000821 -0.000196 32 H -0.017893 0.496693 -0.002608 -0.000222 33 N 0.000821 -0.002608 6.910174 0.323402 34 H -0.000196 -0.000222 0.323402 0.403416 Mulliken charges: 1 1 C 0.323449 2 C -0.489657 3 O -0.737069 4 O -0.559974 5 C 0.878925 6 N -0.928452 7 C 1.070065 8 O -0.616678 9 N -0.865995 10 C 0.474990 11 C -0.404175 12 H 0.243399 13 H 0.183292 14 H 0.185716 15 H 0.430593 16 C -0.190003 17 Cl 0.054767 18 H 0.207872 19 H 0.456444 20 H 0.224859 21 H 0.256761 22 N -0.687871 23 C -0.101343 24 C -0.348444 25 C -0.385297 26 C 0.592086 27 H 0.186781 28 H 0.177493 29 H 0.183295 30 H 0.185979 31 H 0.212340 32 H 0.200620 33 N -0.744927 34 H 0.330158 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.566848 2 C 0.087223 3 O -0.280624 4 O -0.559974 5 C 0.878925 6 N -0.497859 7 C 1.070065 8 O -0.616678 9 N -0.865995 10 C 0.474990 11 C -0.404175 16 C 0.291616 17 Cl 0.054767 22 N -0.687871 23 C 0.262932 24 C 0.020830 25 C 0.027662 26 C 0.592086 33 N -0.414768 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147221056 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.63D+01 NSMCal= 5778 NSMKep= 4907 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4907 NTPThr= 100 NPartT= 1 Incr= 49 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= 49. PRISM was handed 2146788824 working-precision words and 4907 shell-pairs IPart= 0 NShTot= 4907 NBatch= 68 AvBLen= 72.2 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 50. Electronic moments (au): -150.00000000 0.22500682 0.38761184 -0.01089690 -2855.33647803 -1750.47190803 -587.29319234 -12.16253560 8.72176932 -4.69198055 -3047.44633728 -917.69435920 -72.24894028 1665.84183693 1721.97157036 -2042.64623051 -651.30707718 -119.47511653 521.08706515 1426.92757233 -111669.41921405 -41607.80285990 -5958.32843311 393.46110906 1488.24084728 -3108.05833737 -2592.53070971 -1618.99250780 1580.66202849 -20766.59187199 -11207.89361792 -7779.13441145 2538.75522706 -1195.51123098 1919.01308651 Electronic spatial extent (au): = 5193.1016 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 150.00000000 -0.00000000 0.00000000 0.00000000 2751.87018727 1656.92191984 502.13782993 0.00000000 0.00000000 0.00000000 2974.60841417 944.77017413 54.47789247 -1616.14595777 -1726.45836483 2086.53374127 632.38862138 122.97670587 -547.81282646 -1397.68630217 100792.77388647 35809.32935205 4074.90324294 -1040.86794628 -1150.04157302 2995.12724668 2474.00644953 1621.71064581 -1687.23143651 17736.91409938 9237.08427840 6489.95275334 -2579.20444196 1386.32230029 -1941.18435263 Total moments (au): -0.00000000 0.22500682 0.38761184 -0.01089690 -103.46629076 -93.54998820 -85.15536240 -12.16253560 8.72176932 -4.69198055 -72.83792311 27.07581493 -17.77104781 49.69587916 -4.48679446 43.88751076 -18.91845580 3.50158934 -26.72576131 29.24127016 -10876.64532758 -5798.47350785 -1883.42519018 -647.40683722 338.19927426 -112.93109069 -118.52426017 2.71813801 -106.56940802 -3029.67777262 -1970.80933953 -1289.18165812 -40.44921490 190.81106931 -22.17126612 Traceless Quadrup. (au): -9.40907697 0.50722559 8.90185138 -12.16253560 8.72176932 -4.69198055 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.5719 Y= 0.9852 Z= -0.0277 Tot= 1.1395 Quadrupole moment (field-independent basis, Debye-Ang): XX= -139.1657 YY= -125.8279 ZZ= -114.5369 XY= -16.3590 XZ= 11.7311 YZ= -6.3109 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -12.6555 YY= 0.6822 ZZ= 11.9733 XY= -16.3590 XZ= 11.7311 YZ= -6.3109 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -51.8432 YYY= 19.2715 ZZZ= -12.6487 XYY= 35.3716 XXY= -3.1935 XXZ= 31.2374 XZZ= -13.4654 YZZ= 2.4923 YYZ= -19.0224 XYZ= 20.8128 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4096.6662 YYYY= -2183.9832 ZZZZ= -709.3882 XXXY= -243.8445 XXXZ= 127.3821 YYYX= -42.5353 YYYZ= -44.6419 ZZZX= 1.0238 ZZZY= -40.1391 XXYY= -1141.1219 XXZZ= -742.3013 YYZZ= -485.5676 XXYZ= -15.2351 YYXZ= 71.8686 ZZXY= -8.3508 N-N= 1.701256222429D+03 E-N=-6.527576233374D+03 KE= 1.325695192754D+03 Entering OneElI... OneElI was handed 2147270893 working-precision words. Calculate electrostatic properties NBasis = 319 MinDer = 0 MaxDer = 0 NGrid = 34 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.63D+01 NSMCal= 5778 NSMKep= 4422 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 150348 NTPThr= 100 NPartT= 12 Incr= 125 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= 125. PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs PRISM was handed 178784690 working-precision words and 4422 shell-pairs IPart= 0 NShTot= 13430 NBatch= 395 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 12376 NBatch= 364 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 12206 NBatch= 359 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 12478 NBatch= 367 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 11832 NBatch= 348 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 9 NShTot= 12070 NBatch= 355 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 12070 NBatch= 355 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 12172 NBatch= 358 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 12988 NBatch= 382 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 12682 NBatch= 373 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 3 NShTot= 12852 NBatch= 378 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 13192 NBatch= 388 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1501. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.317213 -0.133146 -0.184068 2 Atom -0.029172 0.038604 -0.009432 3 Atom -0.119347 1.692347 -1.573001 4 Atom 0.094340 0.123033 -0.217372 5 Atom 0.210544 0.095141 -0.305686 6 Atom -0.140495 -0.345215 0.485710 7 Atom -0.011970 0.250329 -0.238360 8 Atom 0.884837 -0.463520 -0.421317 9 Atom -0.066038 -0.482796 0.548834 10 Atom 0.238491 0.046267 -0.284758 11 Atom 0.116694 -0.190766 0.074072 12 Atom -0.068821 -0.069755 0.138576 13 Atom 0.122365 0.160502 -0.282867 14 Atom 0.116594 -0.259242 0.142648 15 Atom -0.252566 0.173698 0.078868 16 Atom -0.192651 0.242982 -0.050331 17 Atom 1.773978 -2.970949 1.196972 18 Atom -0.124673 -0.017103 0.141776 19 Atom -0.257777 0.265577 -0.007801 20 Atom 0.142527 -0.117633 -0.024894 21 Atom 0.117808 -0.145127 0.027319 22 Atom -0.457725 0.349765 0.107960 23 Atom 0.138765 -0.093973 -0.044792 24 Atom -0.043963 0.033765 0.010199 25 Atom 0.012378 0.023092 -0.035470 26 Atom 0.019583 -0.097532 0.077949 27 Atom -0.183238 0.156124 0.027114 28 Atom 0.155778 -0.191521 0.035742 29 Atom 0.133667 -0.043573 -0.090094 30 Atom 0.111661 -0.186426 0.074764 31 Atom -0.049148 -0.026674 0.075822 32 Atom 0.035746 -0.087688 0.051942 33 Atom 0.654798 -0.284720 -0.370077 34 Atom -0.070890 0.121521 -0.050631 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.255885 0.170195 0.121684 2 Atom -0.044686 -0.063333 -0.015375 3 Atom 0.303368 -0.471654 0.399806 4 Atom -0.935314 -0.801500 0.786210 5 Atom 0.175107 -0.280466 0.107157 6 Atom -0.207422 0.472546 -0.292135 7 Atom 0.005167 -0.249855 0.202721 8 Atom 0.876486 -0.448215 -0.467078 9 Atom 0.008560 0.651405 -0.166468 10 Atom 0.173241 -0.212037 0.026221 11 Atom 0.161182 0.033384 -0.160665 12 Atom 0.213045 0.055430 -0.050549 13 Atom -0.013271 0.112010 0.032291 14 Atom -0.126289 0.017442 0.084306 15 Atom 0.052546 0.281147 -0.051171 16 Atom 0.077155 -0.082337 0.001039 17 Atom 1.219018 0.373017 -1.843471 18 Atom 0.225408 0.063023 -0.062241 19 Atom 0.113487 -0.338028 0.076756 20 Atom 0.001111 -0.002092 -0.225843 21 Atom -0.092125 0.056253 0.203501 22 Atom -0.315090 -0.361824 0.772679 23 Atom 0.009834 -0.015368 0.204896 24 Atom -0.031015 -0.014470 0.002518 25 Atom 0.020214 -0.009521 0.048679 26 Atom 0.043510 0.077250 -0.404504 27 Atom 0.012004 0.208601 0.003294 28 Atom 0.018602 0.009233 -0.189031 29 Atom 0.062189 0.070301 -0.223211 30 Atom 0.123667 -0.062670 0.171263 31 Atom -0.197296 -0.131805 -0.122898 32 Atom 0.172078 0.109777 -0.156895 33 Atom 0.245058 -0.076985 0.066534 34 Atom 0.161079 -0.272505 0.165946 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4742 2.277 0.813 0.760 0.5327 0.8463 -0.0047 6 N(14) Bbb -0.3716 1.785 0.637 0.595 0.7088 -0.4492 -0.5438 Bcc 0.8457 -4.062 -1.449 -1.355 0.4623 -0.2864 0.8392 Baa -0.5835 2.802 1.000 0.935 -0.5364 0.7340 0.4165 9 N(14) Bbb -0.3909 1.878 0.670 0.626 0.6585 0.6727 -0.3373 Bcc 0.9745 -4.680 -1.670 -1.561 0.5278 -0.0933 0.8442 Baa -3.9520 -75.818 -27.054 -25.290 -0.2169 0.9140 0.3429 17 Cl(35) Bbb 1.8617 35.716 12.744 11.914 0.3742 -0.2466 0.8940 Bcc 2.0903 40.102 14.309 13.377 0.9016 0.3222 -0.2885 Baa -0.6464 3.104 1.108 1.035 0.7790 -0.2114 0.5903 22 N(14) Bbb -0.5049 2.425 0.865 0.809 0.5593 0.6599 -0.5018 Bcc 1.1512 -5.529 -1.973 -1.844 -0.2834 0.7210 0.6323 Baa -0.4431 2.128 0.759 0.710 0.1912 -0.6167 0.7636 33 N(14) Bbb -0.2750 1.321 0.471 0.441 -0.1449 0.7517 0.6434 Bcc 0.7181 -3.449 -1.231 -1.150 0.9708 0.2336 -0.0544 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 08:41:41 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 FitSet: NAtFit= 34 NAtPot= 34 NAtFrz= 0 MDM= 38 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 6 1.50 17 17 1.70 18 1 1.20 19 1 1.20 20 1 1.20 21 1 1.20 22 7 1.50 23 6 1.50 24 6 1.50 25 6 1.50 26 6 1.50 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 7 1.50 34 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density. ********************************************************************** Atomic Center 1 is at -0.352924 2.477560 -0.324882 Atomic Center 2 is at 0.851612 2.788176 0.538095 Atomic Center 3 is at 0.003414 2.530558 -1.666847 Atomic Center 4 is at -3.547770 -1.912323 0.343028 Atomic Center 5 is at -2.749654 -1.034993 0.248028 Atomic Center 6 is at -2.978983 0.204049 0.802066 Atomic Center 7 is at -2.198689 1.319679 0.709338 Atomic Center 8 is at -2.544466 2.353120 1.206192 Atomic Center 9 is at -1.019212 1.177769 0.000525 Atomic Center 10 is at -0.605704 -0.073477 -0.473615 Atomic Center 11 is at -1.435727 -1.125923 -0.400297 Atomic Center 12 is at -1.113783 3.205940 -0.117141 Atomic Center 13 is at 0.576438 2.711087 1.582804 Atomic Center 14 is at 1.160482 3.806776 0.335118 Atomic Center 15 is at -3.838274 0.323479 1.296802 Atomic Center 16 is at 0.800173 -0.226200 -1.043029 Atomic Center 17 is at -1.045565 -2.707858 -0.991308 Atomic Center 18 is at 1.684560 2.134358 0.340203 Atomic Center 19 is at -0.762879 2.693430 -2.201085 Atomic Center 20 is at 0.796097 -1.065259 -1.724860 Atomic Center 21 is at 1.037570 0.650963 -1.611534 Atomic Center 22 is at 1.792543 -0.400720 -0.004792 Atomic Center 23 is at 1.719896 -1.532907 0.914958 Atomic Center 24 is at 2.955037 -1.331957 1.790679 Atomic Center 25 is at 3.965932 -0.740441 0.808388 Atomic Center 26 is at 3.114960 -0.025047 -0.219163 Atomic Center 27 is at 0.797890 -1.513120 1.479283 Atomic Center 28 is at 1.763842 -2.478862 0.379455 Atomic Center 29 is at 2.731947 -0.622203 2.579886 Atomic Center 30 is at 3.287871 -2.253805 2.250543 Atomic Center 31 is at 4.683489 -0.063463 1.250047 Atomic Center 32 is at 4.521091 -1.520561 0.296468 Atomic Center 33 is at 3.609451 0.754081 -1.072086 Atomic Center 34 is at 2.942772 1.140921 -1.713717 ESP Fit Center 35 is at -0.041036 4.513457 -0.734572 ESP Fit Center 36 is at -0.247886 4.414861 -1.128517 ESP Fit Center 37 is at 2.336536 2.788176 2.023020 ESP Fit Center 38 is at 2.276386 3.206527 2.023020 ESP Fit Center 39 is at 2.100810 3.590986 2.023020 ESP Fit Center 40 is at 1.824030 3.910407 2.023020 ESP Fit Center 41 is at 1.468472 4.138910 2.023020 ESP Fit Center 42 is at 1.062939 4.257986 2.023020 ESP Fit Center 43 is at 1.824030 1.665945 2.023020 ESP Fit Center 44 is at 2.100810 1.985365 2.023020 ESP Fit Center 45 is at 2.276386 2.369824 2.023020 ESP Fit Center 46 is at 2.597698 2.788176 1.704793 ESP Fit Center 47 is at 2.546960 3.206042 1.704793 ESP Fit Center 48 is at 2.397694 3.599622 1.704793 ESP Fit Center 49 is at 2.158576 3.946045 1.704793 ESP Fit Center 50 is at 0.232441 4.420795 1.704793 ESP Fit Center 51 is at 1.062079 1.054820 1.704793 ESP Fit Center 52 is at 1.470782 1.155557 1.704793 ESP Fit Center 53 is at 2.746399 3.205250 1.341731 ESP Fit Center 54 is at 2.612442 3.602822 1.341731 ESP Fit Center 55 is at -0.237174 4.394014 1.341731 ESP Fit Center 56 is at -0.556926 4.122414 1.341731 ESP Fit Center 57 is at 2.869100 3.202780 0.947785 ESP Fit Center 58 is at 2.744342 3.600410 0.947785 ESP Fit Center 59 is at -0.409112 4.416896 0.947785 ESP Fit Center 60 is at 2.546960 3.206042 -0.628602 ESP Fit Center 61 is at 2.276386 3.206527 -0.946829 ESP Fit Center 62 is at 2.018309 2.788176 -1.207991 ESP Fit Center 63 is at 1.939525 3.209635 -1.207991 ESP Fit Center 64 is at 1.952677 2.530558 -1.461972 ESP Fit Center 65 is at 1.907104 2.949592 -1.461972 ESP Fit Center 66 is at 1.772517 3.349033 -1.461972 ESP Fit Center 67 is at 1.555209 3.710202 -1.461972 ESP Fit Center 68 is at 1.265340 4.016213 -1.461972 ESP Fit Center 69 is at 0.916465 4.252756 -1.461972 ESP Fit Center 70 is at 0.524897 4.408771 -1.461972 ESP Fit Center 71 is at 0.108945 4.476963 -1.461972 ESP Fit Center 72 is at -0.311941 4.454143 -1.461972 ESP Fit Center 73 is at -0.718082 4.341378 -1.461972 ESP Fit Center 74 is at 1.952677 2.530558 -1.871723 ESP Fit Center 75 is at 1.907104 2.949592 -1.871723 ESP Fit Center 76 is at 1.772517 3.349033 -1.871723 ESP Fit Center 77 is at 1.555209 3.710202 -1.871723 ESP Fit Center 78 is at 1.265340 4.016213 -1.871723 ESP Fit Center 79 is at 0.916465 4.252756 -1.871723 ESP Fit Center 80 is at 0.524897 4.408771 -1.871723 ESP Fit Center 81 is at 0.108945 4.476963 -1.871723 ESP Fit Center 82 is at -0.311941 4.454143 -1.871723 ESP Fit Center 83 is at -0.718082 4.341378 -1.871723 ESP Fit Center 84 is at 1.867485 2.530558 -2.272521 ESP Fit Center 85 is at 1.820749 2.945353 -2.272521 ESP Fit Center 86 is at 1.682884 3.339348 -2.272521 ESP Fit Center 87 is at 1.460803 3.692787 -2.272521 ESP Fit Center 88 is at 1.165643 3.987948 -2.272521 ESP Fit Center 89 is at 0.812204 4.210028 -2.272521 ESP Fit Center 90 is at 0.418209 4.347893 -2.272521 ESP Fit Center 91 is at 0.003414 4.394629 -2.272521 ESP Fit Center 92 is at -0.411381 4.347893 -2.272521 ESP Fit Center 93 is at 1.700824 2.530558 -2.646847 ESP Fit Center 94 is at 1.647497 2.952687 -2.646847 ESP Fit Center 95 is at 1.490866 3.348292 -2.646847 ESP Fit Center 96 is at 1.240773 3.692515 -2.646847 ESP Fit Center 97 is at 0.912932 3.963729 -2.646847 ESP Fit Center 98 is at 0.527943 4.144891 -2.646847 ESP Fit Center 99 is at 0.109995 4.224619 -2.646847 ESP Fit Center 100 is at -0.719308 0.994696 -2.646847 ESP Fit Center 101 is at -0.314649 0.863214 -2.646847 ESP Fit Center 102 is at 1.647497 2.108430 -2.646847 ESP Fit Center 103 is at 1.459978 2.530558 -2.978343 ESP Fit Center 104 is at 1.400977 2.940920 -2.978343 ESP Fit Center 105 is at 1.228754 3.318036 -2.978343 ESP Fit Center 106 is at 0.957261 3.631356 -2.978343 ESP Fit Center 107 is at 0.608493 3.855495 -2.978343 ESP Fit Center 108 is at 0.210705 3.972297 -2.978343 ESP Fit Center 109 is at -0.601664 1.205621 -2.978343 ESP Fit Center 110 is at -0.203876 1.088820 -2.978343 ESP Fit Center 111 is at 1.228754 1.743081 -2.978343 ESP Fit Center 112 is at 1.400977 2.120197 -2.978343 ESP Fit Center 113 is at 1.155473 2.530558 -3.252521 ESP Fit Center 114 is at 1.077677 2.946730 -3.252521 ESP Fit Center 115 is at 0.854796 3.306696 -3.252521 ESP Fit Center 116 is at 0.516931 3.561839 -3.252521 ESP Fit Center 117 is at 0.109713 3.677703 -3.252521 ESP Fit Center 118 is at -0.311862 1.422478 -3.252521 ESP Fit Center 119 is at 0.109713 1.383414 -3.252521 ESP Fit Center 120 is at 0.516931 1.499277 -3.252521 ESP Fit Center 121 is at 0.854796 1.754421 -3.252521 ESP Fit Center 122 is at 1.077677 2.114387 -3.252521 ESP Fit Center 123 is at 0.800618 2.530558 -3.457396 ESP Fit Center 124 is at 0.693813 2.929160 -3.457396 ESP Fit Center 125 is at 0.402016 3.220957 -3.457396 ESP Fit Center 126 is at 0.003414 1.733355 -3.457396 ESP Fit Center 127 is at 0.402016 1.840160 -3.457396 ESP Fit Center 128 is at 0.693813 2.131956 -3.457396 ESP Fit Center 129 is at 0.410921 2.530558 -3.584017 ESP Fit Center 130 is at 0.207168 2.883470 -3.584017 ESP Fit Center 131 is at 0.207168 2.177647 -3.584017 ESP Fit Center 132 is at -3.547770 -1.912323 2.303028 ESP Fit Center 133 is at -3.140263 -1.912323 2.260197 ESP Fit Center 134 is at -3.344016 -1.559411 2.260197 ESP Fit Center 135 is at -3.751523 -1.559411 2.260197 ESP Fit Center 136 is at -3.955277 -1.912323 2.260197 ESP Fit Center 137 is at -3.751523 -2.265234 2.260197 ESP Fit Center 138 is at -3.344016 -2.265234 2.260197 ESP Fit Center 139 is at -3.946372 -1.221924 2.133577 ESP Fit Center 140 is at -4.238169 -1.513721 2.133577 ESP Fit Center 141 is at -4.344974 -1.912323 2.133577 ESP Fit Center 142 is at -4.238169 -2.310925 2.133577 ESP Fit Center 143 is at -3.946372 -2.602722 2.133577 ESP Fit Center 144 is at -3.547770 -2.709527 2.133577 ESP Fit Center 145 is at -3.149168 -2.602722 2.133577 ESP Fit Center 146 is at -2.857371 -2.310925 2.133577 ESP Fit Center 147 is at -4.527270 -1.305842 1.928701 ESP Fit Center 148 is at -4.680213 -1.700633 1.928701 ESP Fit Center 149 is at -4.680213 -2.124013 1.928701 ESP Fit Center 150 is at -4.527270 -2.518804 1.928701 ESP Fit Center 151 is at -4.242041 -2.831686 1.928701 ESP Fit Center 152 is at -3.863046 -3.020403 1.928701 ESP Fit Center 153 is at -3.441471 -3.059467 1.928701 ESP Fit Center 154 is at -3.034253 -2.943604 1.928701 ESP Fit Center 155 is at -2.696388 -2.688460 1.928701 ESP Fit Center 156 is at -2.473507 -2.328495 1.928701 ESP Fit Center 157 is at -4.773109 -1.124845 1.654524 ESP Fit Center 158 is at -4.945333 -1.501961 1.654524 ESP Fit Center 159 is at -5.004334 -1.912323 1.654524 ESP Fit Center 160 is at -4.945333 -2.322684 1.654524 ESP Fit Center 161 is at -4.773109 -2.699801 1.654524 ESP Fit Center 162 is at -4.501616 -3.013120 1.654524 ESP Fit Center 163 is at -4.152848 -3.237260 1.654524 ESP Fit Center 164 is at -3.755060 -3.354061 1.654524 ESP Fit Center 165 is at -3.340479 -3.354061 1.654524 ESP Fit Center 166 is at -2.942691 -3.237260 1.654524 ESP Fit Center 167 is at -2.593923 -3.013120 1.654524 ESP Fit Center 168 is at -2.322430 -2.699801 1.654524 ESP Fit Center 169 is at -5.125982 -1.287465 1.323028 ESP Fit Center 170 is at -5.231795 -1.699581 1.323028 ESP Fit Center 171 is at -5.231795 -2.125065 1.323028 ESP Fit Center 172 is at -5.125982 -2.537181 1.323028 ESP Fit Center 173 is at -4.921003 -2.910035 1.323028 ESP Fit Center 174 is at -4.629740 -3.220200 1.323028 ESP Fit Center 175 is at -4.270492 -3.448185 1.323028 ESP Fit Center 176 is at -3.865833 -3.579667 1.323028 ESP Fit Center 177 is at -3.441189 -3.606383 1.323028 ESP Fit Center 178 is at -3.023241 -3.526655 1.323028 ESP Fit Center 179 is at -2.638252 -3.345493 1.323028 ESP Fit Center 180 is at -2.310411 -3.074280 1.323028 ESP Fit Center 181 is at -2.060318 -2.730056 1.323028 ESP Fit Center 182 is at -5.227240 -1.103533 0.948701 ESP Fit Center 183 is at -5.365104 -1.497528 0.948701 ESP Fit Center 184 is at -5.411841 -1.912323 0.948701 ESP Fit Center 185 is at -5.365104 -2.327118 0.948701 ESP Fit Center 186 is at -5.227240 -2.721113 0.948701 ESP Fit Center 187 is at -5.005159 -3.074552 0.948701 ESP Fit Center 188 is at -4.709999 -3.369712 0.948701 ESP Fit Center 189 is at -4.356560 -3.591793 0.948701 ESP Fit Center 190 is at -3.962565 -3.729657 0.948701 ESP Fit Center 191 is at -3.547770 -3.776394 0.948701 ESP Fit Center 192 is at -3.132975 -3.729657 0.948701 ESP Fit Center 193 is at -2.738980 -3.591793 0.948701 ESP Fit Center 194 is at -2.385541 -3.369712 0.948701 ESP Fit Center 195 is at -5.218010 -0.907373 0.547904 ESP Fit Center 196 is at -5.394995 -1.289920 0.547904 ESP Fit Center 197 is at -5.485606 -1.701570 0.547904 ESP Fit Center 198 is at -5.485606 -2.123075 0.547904 ESP Fit Center 199 is at -5.394995 -2.534725 0.547904 ESP Fit Center 200 is at -5.218010 -2.917273 0.547904 ESP Fit Center 201 is at -4.962926 -3.252830 0.547904 ESP Fit Center 202 is at -4.641671 -3.525706 0.547904 ESP Fit Center 203 is at -4.269266 -3.723143 0.547904 ESP Fit Center 204 is at -3.863125 -3.835907 0.547904 ESP Fit Center 205 is at -3.442239 -3.858727 0.547904 ESP Fit Center 206 is at -3.026287 -3.790535 0.547904 ESP Fit Center 207 is at -2.634719 -3.634520 0.547904 ESP Fit Center 208 is at -4.962926 -0.571816 0.138152 ESP Fit Center 209 is at -5.218010 -0.907373 0.138152 ESP Fit Center 210 is at -5.394995 -1.289920 0.138152 ESP Fit Center 211 is at -5.485606 -1.701570 0.138152 ESP Fit Center 212 is at -5.485606 -2.123075 0.138152 ESP Fit Center 213 is at -5.394995 -2.534725 0.138152 ESP Fit Center 214 is at -5.218010 -2.917273 0.138152 ESP Fit Center 215 is at -4.962926 -3.252830 0.138152 ESP Fit Center 216 is at -4.641671 -3.525706 0.138152 ESP Fit Center 217 is at -4.269266 -3.723143 0.138152 ESP Fit Center 218 is at -3.863125 -3.835907 0.138152 ESP Fit Center 219 is at -3.442239 -3.858727 0.138152 ESP Fit Center 220 is at -3.026287 -3.790535 0.138152 ESP Fit Center 221 is at -4.709999 -0.454934 -0.262646 ESP Fit Center 222 is at -5.005159 -0.750094 -0.262646 ESP Fit Center 223 is at -5.227240 -1.103533 -0.262646 ESP Fit Center 224 is at -5.365104 -1.497528 -0.262646 ESP Fit Center 225 is at -5.411841 -1.912323 -0.262646 ESP Fit Center 226 is at -5.365104 -2.327118 -0.262646 ESP Fit Center 227 is at -5.227240 -2.721113 -0.262646 ESP Fit Center 228 is at -5.005159 -3.074552 -0.262646 ESP Fit Center 229 is at -4.709999 -3.369712 -0.262646 ESP Fit Center 230 is at -4.356560 -3.591793 -0.262646 ESP Fit Center 231 is at -3.962565 -3.729657 -0.262646 ESP Fit Center 232 is at -3.547770 -3.776394 -0.262646 ESP Fit Center 233 is at -3.132975 -3.729657 -0.262646 ESP Fit Center 234 is at -4.629740 -0.604446 -0.636972 ESP Fit Center 235 is at -4.921003 -0.914610 -0.636972 ESP Fit Center 236 is at -5.125982 -1.287465 -0.636972 ESP Fit Center 237 is at -5.231795 -1.699581 -0.636972 ESP Fit Center 238 is at -5.231795 -2.125065 -0.636972 ESP Fit Center 239 is at -5.125982 -2.537181 -0.636972 ESP Fit Center 240 is at -4.921003 -2.910035 -0.636972 ESP Fit Center 241 is at -4.629740 -3.220200 -0.636972 ESP Fit Center 242 is at -4.270492 -3.448185 -0.636972 ESP Fit Center 243 is at -3.865833 -3.579667 -0.636972 ESP Fit Center 244 is at -3.441189 -3.606383 -0.636972 ESP Fit Center 245 is at -4.501616 -0.811525 -0.968468 ESP Fit Center 246 is at -4.773109 -1.124845 -0.968468 ESP Fit Center 247 is at -4.945333 -1.501961 -0.968468 ESP Fit Center 248 is at -5.004334 -1.912323 -0.968468 ESP Fit Center 249 is at -4.945333 -2.322684 -0.968468 ESP Fit Center 250 is at -4.773109 -2.699801 -0.968468 ESP Fit Center 251 is at -4.501616 -3.013120 -0.968468 ESP Fit Center 252 is at -4.152848 -3.237260 -0.968468 ESP Fit Center 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ESP Fit Center 833 is at -1.045565 -2.707858 1.388692 ESP Fit Center 834 is at -0.632282 -2.707858 1.352534 ESP Fit Center 835 is at -0.838924 -2.349945 1.352534 ESP Fit Center 836 is at -1.252206 -2.349945 1.352534 ESP Fit Center 837 is at -1.458848 -2.707858 1.352534 ESP Fit Center 838 is at -1.252206 -3.065772 1.352534 ESP Fit Center 839 is at -0.838924 -3.065772 1.352534 ESP Fit Center 840 is at -1.859573 -2.707858 1.245160 ESP Fit Center 841 is at -1.750517 -3.114862 1.245160 ESP Fit Center 842 is at -1.452569 -3.412810 1.245160 ESP Fit Center 843 is at -1.045565 -3.521866 1.245160 ESP Fit Center 844 is at -0.638561 -3.412810 1.245160 ESP Fit Center 845 is at -0.340614 -3.114862 1.245160 ESP Fit Center 846 is at -2.163799 -3.114862 1.069832 ESP Fit Center 847 is at -1.957158 -3.472775 1.069832 ESP Fit Center 848 is at -1.640565 -3.738428 1.069832 ESP Fit Center 849 is at -1.252206 -3.879779 1.069832 ESP Fit Center 850 is at -0.838924 -3.879779 1.069832 ESP Fit Center 851 is at 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2.062163 -3.041085 ESP Fit Center 1125 is at -1.829413 1.703832 -3.041085 ESP Fit Center 1126 is at -1.490341 1.433430 -3.041085 ESP Fit Center 1127 is at -1.086630 1.274986 -3.041085 ESP Fit Center 1128 is at -0.654153 1.242576 -3.041085 ESP Fit Center 1129 is at 0.115018 3.493740 -3.389025 ESP Fit Center 1130 is at -0.233369 3.756830 -3.389025 ESP Fit Center 1131 is at -0.653270 3.876302 -3.389025 ESP Fit Center 1132 is at -1.087974 3.836021 -3.389025 ESP Fit Center 1133 is at -1.478773 3.641426 -3.389025 ESP Fit Center 1134 is at -1.772886 3.318800 -3.389025 ESP Fit Center 1135 is at -1.930592 2.911714 -3.389025 ESP Fit Center 1136 is at -1.930592 2.475147 -3.389025 ESP Fit Center 1137 is at -1.772886 2.068061 -3.389025 ESP Fit Center 1138 is at -1.478773 1.745434 -3.389025 ESP Fit Center 1139 is at -1.087974 1.550840 -3.389025 ESP Fit Center 1140 is at -0.653270 1.510559 -3.389025 ESP Fit Center 1141 is at 0.077121 2.693430 -3.656008 ESP Fit Center 1142 is at -0.035418 3.113430 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ESP Fit Center 1161 is at 1.315245 -2.663034 -1.724860 ESP Fit Center 1162 is at 1.696286 -2.483730 -1.724860 ESP Fit Center 1163 is at 2.020764 -2.215298 -1.724860 ESP Fit Center 1164 is at 2.268292 -1.874605 -1.724860 ESP Fit Center 1165 is at 2.423316 -1.483058 -1.724860 ESP Fit Center 1166 is at 2.418852 -1.065259 -2.159676 ESP Fit Center 1167 is at 1.216097 -2.632721 -2.159676 ESP Fit Center 1168 is at 1.607474 -2.470607 -2.159676 ESP Fit Center 1169 is at 1.943558 -2.212721 -2.159676 ESP Fit Center 1170 is at 2.201444 -1.876637 -2.159676 ESP Fit Center 1171 is at 2.363558 -1.485259 -2.159676 ESP Fit Center 1172 is at 2.251019 -1.065259 -2.564860 ESP Fit Center 1173 is at -0.642576 -0.848414 -2.564860 ESP Fit Center 1174 is at 0.904823 -2.516114 -2.564860 ESP Fit Center 1175 is at 1.327639 -2.419609 -2.564860 ESP Fit Center 1176 is at 1.703226 -2.202764 -2.564860 ESP Fit Center 1177 is at 1.998210 -1.884846 -2.564860 ESP Fit Center 1178 is at 2.186381 -1.494105 -2.564860 ESP Fit Center 1179 is at 1.984036 -1.065259 -2.912800 ESP Fit Center 1180 is at 1.903817 -0.636126 -2.912800 ESP Fit Center 1181 is at -0.213910 -0.439890 -2.912800 ESP Fit Center 1182 is at -0.371616 -0.846976 -2.912800 ESP Fit Center 1183 is at -0.371616 -1.283543 -2.912800 ESP Fit Center 1184 is at 0.471001 -2.207850 -2.912800 ESP Fit Center 1185 is at 0.905706 -2.248131 -2.912800 ESP Fit Center 1186 is at 1.325607 -2.128659 -2.912800 ESP Fit Center 1187 is at 1.673994 -1.865569 -2.912800 ESP Fit Center 1188 is at 1.903817 -1.494392 -2.912800 ESP Fit Center 1189 is at 1.636097 -1.065259 -3.179783 ESP Fit Center 1190 is at 1.523558 -0.645259 -3.179783 ESP Fit Center 1191 is at 1.216097 -0.337798 -3.179783 ESP Fit Center 1192 is at 0.796097 -0.225259 -3.179783 ESP Fit Center 1193 is at 0.376097 -0.337798 -3.179783 ESP Fit Center 1194 is at 0.068635 -0.645259 -3.179783 ESP Fit Center 1195 is at -0.043903 -1.065259 -3.179783 ESP Fit Center 1196 is at 0.068635 -1.485259 -3.179783 ESP Fit Center 1197 is at 0.376097 -1.792721 -3.179783 ESP Fit Center 1198 is at 0.796097 -1.905259 -3.179783 ESP Fit Center 1199 is at 1.216097 -1.792721 -3.179783 ESP Fit Center 1200 is at 1.523558 -1.485259 -3.179783 ESP Fit Center 1201 is at 1.230912 -1.065259 -3.347616 ESP Fit Center 1202 is at 1.013504 -0.688698 -3.347616 ESP Fit Center 1203 is at 0.578689 -0.688698 -3.347616 ESP Fit Center 1204 is at 0.361281 -1.065259 -3.347616 ESP Fit Center 1205 is at 0.578689 -1.441821 -3.347616 ESP Fit Center 1206 is at 1.013504 -1.441821 -3.347616 ESP Fit Center 1207 is at 0.796097 -1.065259 -3.404860 ESP Fit Center 1208 is at 1.567080 1.714363 -2.799473 ESP Fit Center 1209 is at -0.130142 0.869246 -2.799473 ESP Fit Center 1210 is at 1.877570 0.650963 -3.066457 ESP Fit Center 1211 is at 1.765032 1.070963 -3.066457 ESP Fit Center 1212 is at 1.457570 1.378424 -3.066457 ESP Fit Center 1213 is at 1.037570 1.490963 -3.066457 ESP Fit Center 1214 is at 0.310109 1.070963 -3.066457 ESP Fit Center 1215 is at 0.197570 0.650963 -3.066457 ESP Fit Center 1216 is at 0.310109 0.230963 -3.066457 ESP Fit Center 1217 is at 1.457570 -0.076498 -3.066457 ESP Fit Center 1218 is at 1.765032 0.230963 -3.066457 ESP Fit Center 1219 is at 1.472386 0.650963 -3.234289 ESP Fit Center 1220 is at 1.254978 1.027525 -3.234289 ESP Fit Center 1221 is at 0.820162 1.027525 -3.234289 ESP Fit Center 1222 is at 0.602754 0.650963 -3.234289 ESP Fit Center 1223 is at 0.820162 0.274401 -3.234289 ESP Fit Center 1224 is at 1.254978 0.274401 -3.234289 ESP Fit Center 1225 is at 1.037570 0.650963 -3.291534 ESP Fit Center 1226 is at 1.390726 0.295249 1.935355 ESP Fit Center 1227 is at 1.900193 0.761001 1.741294 ESP Fit Center 1228 is at 1.473262 0.721440 1.741294 ESP Fit Center 1229 is at 1.089451 0.530325 1.741294 ESP Fit Center 1230 is at 0.800597 0.213467 1.741294 ESP Fit Center 1231 is at 0.820125 0.721511 1.480132 ESP Fit Center 1232 is at 0.543346 0.402091 1.480132 ESP Fit Center 1233 is at 2.411714 -2.033339 -1.171490 ESP Fit Center 1234 is at 2.409403 -1.751454 -1.489716 ESP Fit Center 1235 is at 1.400615 -2.655067 2.661044 ESP Fit Center 1236 is at 1.508570 -3.002717 2.399882 ESP Fit Center 1237 is at 1.100726 0.099712 2.081655 ESP Fit Center 1238 is at 1.100726 -3.165526 2.081655 ESP Fit Center 1239 is at 1.509429 -3.266262 2.081655 ESP Fit Center 1240 is at 1.930364 -3.266262 2.081655 ESP Fit Center 1241 is at 1.001774 -3.335259 1.718593 ESP Fit Center 1242 is at 1.406016 -3.447496 1.718593 ESP Fit Center 1243 is at 0.459173 -3.161628 1.324647 ESP Fit Center 1244 is at 3.159881 -1.686758 3.850328 ESP Fit Center 1245 is at 3.758672 -1.331957 3.730826 ESP Fit Center 1246 is at 4.121734 -1.331957 3.536765 ESP Fit Center 1247 is at 1.963090 -1.946144 3.536765 ESP Fit Center 1248 is at 4.439961 -1.331957 3.275603 ESP Fit Center 1249 is at 4.379811 -0.913605 3.275603 ESP Fit Center 1250 is at 1.530262 -1.750308 3.275603 ESP Fit Center 1251 is at 1.705839 -2.134767 3.275603 ESP Fit Center 1252 is at 4.701123 -1.331957 2.957377 ESP Fit Center 1253 is at 4.650385 -0.914091 2.957377 ESP Fit Center 1254 is at 4.501119 -0.520510 2.957377 ESP Fit Center 1255 is at 1.408954 -2.143403 2.957377 ESP Fit Center 1256 is at 1.648072 -2.489826 2.957377 ESP Fit Center 1257 is at 3.574207 -2.964576 0.623982 ESP Fit Center 1258 is at 5.053845 -1.161901 2.554474 ESP Fit Center 1259 is at 4.938350 -1.862672 2.293312 ESP Fit Center 1260 is at 5.215129 -1.543252 2.293312 ESP Fit Center 1261 is at 3.346761 0.892178 1.975085 ESP Fit Center 1262 is at 4.957822 -2.177442 1.975085 ESP Fit Center 1263 is at 5.272896 -1.898311 1.975085 ESP Fit Center 1264 is at 5.512014 -1.551888 1.975085 ESP Fit Center 1265 is at 3.247809 1.061910 1.612023 ESP Fit Center 1266 is at 5.510469 -1.914568 1.612023 ESP Fit Center 1267 is at 5.726761 -1.555088 1.612023 ESP Fit Center 1268 is at 5.983420 -1.155046 1.218077 ESP Fit Center 1269 is at 6.025581 -0.740441 0.398698 ESP Fit Center 1270 is at 5.860719 -0.323367 0.004752 ESP Fit Center 1271 is at 5.661280 -0.322575 -0.358310 ESP Fit Center 1272 is at 5.512014 0.071005 -0.358310 ESP Fit Center 1273 is at 5.390706 -0.322090 -0.676537 ESP Fit Center 1274 is at 3.222610 1.136673 1.526923 ESP Fit Center 1275 is at 2.795679 1.097112 1.526923 ESP Fit Center 1276 is at 2.411868 0.905997 1.526923 ESP Fit Center 1277 is at 3.731820 1.325687 1.265761 ESP Fit Center 1278 is at 3.326287 1.444762 1.265761 ESP Fit Center 1279 is at 3.734131 1.607572 0.947534 ESP Fit Center 1280 is at 3.325428 1.708308 0.947534 ESP Fit Center 1281 is at 2.801080 -1.939636 -1.022799 ESP Fit Center 1282 is at 3.219998 -1.962349 -1.022799 ESP Fit Center 1283 is at 2.904493 -1.758403 -1.385861 ESP Fit Center 1284 is at 3.325428 -1.758403 -1.385861 ESP Fit Center 1285 is at 3.734131 -1.657666 -1.385861 ESP Fit Center 1286 is at 4.106850 -1.462048 -1.385861 ESP Fit Center 1287 is at 4.421925 -1.182917 -1.385861 ESP Fit Center 1288 is at 2.903634 -1.494857 -1.704088 ESP Fit Center 1289 is at 3.326287 -1.494857 -1.704088 ESP Fit Center 1290 is at 3.731820 -1.375782 -1.704088 ESP Fit Center 1291 is at 2.795679 -1.147207 -1.965249 ESP Fit Center 1292 is at 3.222610 -1.186768 -1.965249 ESP Fit Center 1293 is at 0.797890 -1.513120 3.159283 ESP Fit Center 1294 is at 1.232706 -1.513120 3.102038 ESP Fit Center 1295 is at 1.015298 -1.136559 3.102038 ESP Fit Center 1296 is at 0.580482 -1.136559 3.102038 ESP Fit Center 1297 is at 0.363074 -1.513120 3.102038 ESP Fit Center 1298 is at 0.580482 -1.889682 3.102038 ESP Fit Center 1299 is at 1.015298 -1.889682 3.102038 ESP Fit Center 1300 is at 0.797890 -0.673120 2.934205 ESP Fit Center 1301 is at 0.377890 -0.785659 2.934205 ESP Fit Center 1302 is at 0.070428 -1.093120 2.934205 ESP Fit Center 1303 is at -0.042110 -1.513120 2.934205 ESP Fit Center 1304 is at 0.070428 -1.933120 2.934205 ESP Fit Center 1305 is at 0.377890 -2.240582 2.934205 ESP Fit Center 1306 is at 0.797890 -2.353120 2.934205 ESP Fit Center 1307 is at 1.217890 -2.240582 2.934205 ESP Fit Center 1308 is at 0.907499 -0.330248 2.667222 ESP Fit Center 1309 is at 0.472794 -0.370530 2.667222 ESP Fit Center 1310 is at 0.081996 -0.565124 2.667222 ESP Fit Center 1311 is at -0.212117 -0.887751 2.667222 ESP Fit Center 1312 is at -0.369823 -1.294837 2.667222 ESP Fit Center 1313 is at -0.369823 -1.731404 2.667222 ESP Fit Center 1314 is at -0.212117 -2.138490 2.667222 ESP Fit Center 1315 is at 0.081996 -2.461116 2.667222 ESP Fit Center 1316 is at 0.472794 -2.655711 2.667222 ESP Fit Center 1317 is at 0.907499 -2.695992 2.667222 ESP Fit Center 1318 is at 0.906616 -0.062266 2.319283 ESP Fit Center 1319 is at 0.474139 -0.094676 2.319283 ESP Fit Center 1320 is at 0.070428 -0.253120 2.319283 ESP Fit Center 1321 is at -0.268644 -0.523522 2.319283 ESP Fit Center 1322 is at -0.512950 -0.881853 2.319283 ESP Fit Center 1323 is at -0.640783 -1.296275 2.319283 ESP Fit Center 1324 is at -0.640783 -1.729965 2.319283 ESP Fit Center 1325 is at -0.512950 -2.144388 2.319283 ESP Fit Center 1326 is at -0.268644 -2.502719 2.319283 ESP Fit Center 1327 is at 0.070428 -2.773120 2.319283 ESP Fit Center 1328 is at 0.474139 -2.931565 2.319283 ESP Fit Center 1329 is at 0.906616 -2.963975 2.319283 ESP Fit Center 1330 is at 0.797890 0.109635 1.914099 ESP Fit Center 1331 is at 0.377890 0.054341 1.914099 ESP Fit Center 1332 is at -0.013488 -0.107773 1.914099 ESP Fit Center 1333 is at -0.349572 -0.365659 1.914099 ESP Fit Center 1334 is at -0.607458 -0.701743 1.914099 ESP Fit Center 1335 is at -0.769572 -1.093120 1.914099 ESP Fit Center 1336 is at -0.824866 -1.513120 1.914099 ESP Fit Center 1337 is at -0.769572 -1.933120 1.914099 ESP Fit Center 1338 is at -0.607458 -2.324498 1.914099 ESP Fit Center 1339 is at -0.349572 -2.660582 1.914099 ESP Fit Center 1340 is at -0.013488 -2.918468 1.914099 ESP Fit Center 1341 is at 0.377890 -3.080582 1.914099 ESP Fit Center 1342 is at 0.797890 -3.135876 1.914099 ESP Fit Center 1343 is at -0.764135 -2.131570 1.479283 ESP Fit Center 1344 is at -0.561259 -2.500600 1.479283 ESP Fit Center 1345 is at -0.272983 -2.807583 1.479283 ESP Fit Center 1346 is at 0.082580 -3.033230 1.479283 ESP Fit Center 1347 is at 0.483089 -3.163363 1.479283 ESP Fit Center 1348 is at 1.047949 -3.426858 1.567394 ESP Fit Center 1349 is at 1.438747 -3.621453 1.567394 ESP Fit Center 1350 is at 1.873452 -3.661734 1.567394 ESP Fit Center 1351 is at 2.293353 -3.542262 1.567394 ESP Fit Center 1352 is at 0.697309 -3.468461 1.219455 ESP Fit Center 1353 is at 1.036381 -3.738862 1.219455 ESP Fit Center 1354 is at 1.440092 -3.897307 1.219455 ESP Fit Center 1355 is at 1.872569 -3.929717 1.219455 ESP Fit Center 1356 is at 2.295385 -3.833212 1.219455 ESP Fit Center 1357 is at 2.670972 -3.616367 1.219455 ESP Fit Center 1358 is at 0.616381 -3.626324 0.814271 ESP Fit Center 1359 is at 0.952465 -3.884210 0.814271 ESP Fit Center 1360 is at 1.343842 -4.046324 0.814271 ESP Fit Center 1361 is at 1.763842 -4.101618 0.814271 ESP Fit Center 1362 is at 2.183842 -4.046324 0.814271 ESP Fit Center 1363 is at 2.575220 -3.884210 0.814271 ESP Fit Center 1364 is at 2.911304 -3.626324 0.814271 ESP Fit Center 1365 is at 3.169190 -3.290240 0.814271 ESP Fit Center 1366 is at 0.692970 -3.773324 0.379455 ESP Fit Center 1367 is at 1.048533 -3.998972 0.379455 ESP Fit Center 1368 is at 1.449042 -4.129105 0.379455 ESP Fit Center 1369 is at 1.869330 -4.155547 0.379455 ESP Fit Center 1370 is at 2.282991 -4.076637 0.379455 ESP Fit Center 1371 is at 2.664031 -3.897333 0.379455 ESP Fit Center 1372 is at 2.988510 -3.628901 0.379455 ESP Fit Center 1373 is at 3.236038 -3.288208 0.379455 ESP Fit Center 1374 is at 3.391062 -2.896661 0.379455 ESP Fit Center 1375 is at 0.952465 -3.884210 -0.055361 ESP Fit Center 1376 is at 1.343842 -4.046324 -0.055361 ESP Fit Center 1377 is at 1.763842 -4.101618 -0.055361 ESP Fit Center 1378 is at 2.183842 -4.046324 -0.055361 ESP Fit Center 1379 is at 2.575220 -3.884210 -0.055361 ESP Fit Center 1380 is at 2.911304 -3.626324 -0.055361 ESP Fit Center 1381 is at 3.169190 -3.290240 -0.055361 ESP Fit Center 1382 is at 3.331304 -2.898862 -0.055361 ESP Fit Center 1383 is at 3.218765 -2.478862 -0.460545 ESP Fit Center 1384 is at 1.036381 -3.738862 -0.460545 ESP Fit Center 1385 is at 1.440092 -3.897307 -0.460545 ESP Fit Center 1386 is at 1.872569 -3.929717 -0.460545 ESP Fit Center 1387 is at 2.295385 -3.833212 -0.460545 ESP Fit Center 1388 is at 2.670972 -3.616367 -0.460545 ESP Fit Center 1389 is at 2.965956 -3.298449 -0.460545 ESP Fit Center 1390 is at 3.154127 -2.907708 -0.460545 ESP Fit Center 1391 is at 2.951782 -2.478862 -0.808484 ESP Fit Center 1392 is at 2.871563 -2.049729 -0.808484 ESP Fit Center 1393 is at 1.438747 -3.621453 -0.808484 ESP Fit Center 1394 is at 1.873452 -3.661734 -0.808484 ESP Fit Center 1395 is at 2.293353 -3.542262 -0.808484 ESP Fit Center 1396 is at 2.641740 -3.279172 -0.808484 ESP Fit Center 1397 is at 2.871563 -2.907995 -0.808484 ESP Fit Center 1398 is at 2.603842 -2.478862 -1.075468 ESP Fit Center 1399 is at 1.343842 -3.206324 -1.075468 ESP Fit Center 1400 is at 1.763842 -3.318862 -1.075468 ESP Fit Center 1401 is at 2.183842 -3.206324 -1.075468 ESP Fit Center 1402 is at 2.491304 -2.898862 -1.075468 ESP Fit Center 1403 is at 2.198658 -2.478862 -1.243300 ESP Fit Center 1404 is at 1.546434 -2.855424 -1.243300 ESP Fit Center 1405 is at 1.981250 -2.855424 -1.243300 ESP Fit Center 1406 is at 1.763842 -2.478862 -1.300545 ESP Fit Center 1407 is at 2.731947 -0.622203 4.259886 ESP Fit Center 1408 is at 3.166763 -0.622203 4.202642 ESP Fit Center 1409 is at 2.949355 -0.245641 4.202642 ESP Fit Center 1410 is at 2.514539 -0.245641 4.202642 ESP Fit Center 1411 is at 2.297131 -0.622203 4.202642 ESP Fit Center 1412 is at 2.514539 -0.998765 4.202642 ESP Fit Center 1413 is at 2.949355 -0.998765 4.202642 ESP Fit Center 1414 is at 3.571947 -0.622203 4.034809 ESP Fit Center 1415 is at 3.459408 -0.202203 4.034809 ESP Fit Center 1416 is at 3.151947 0.105258 4.034809 ESP Fit Center 1417 is at 2.731947 0.217797 4.034809 ESP Fit Center 1418 is at 2.311947 0.105258 4.034809 ESP Fit Center 1419 is at 2.004485 -0.202203 4.034809 ESP Fit Center 1420 is at 1.891947 -0.622203 4.034809 ESP Fit Center 1421 is at 2.004485 -1.042203 4.034809 ESP Fit Center 1422 is at 2.311947 -1.349664 4.034809 ESP Fit Center 1423 is at 2.731947 -1.462203 4.034809 ESP Fit Center 1424 is at 3.151947 -1.349664 4.034809 ESP Fit Center 1425 is at 3.459408 -1.042203 4.034809 ESP Fit Center 1426 is at 3.919886 -0.622203 3.767826 ESP Fit Center 1427 is at 3.839667 -0.193070 3.767826 ESP Fit Center 1428 is at 3.609845 0.178107 3.767826 ESP Fit Center 1429 is at 3.261457 0.441197 3.767826 ESP Fit Center 1430 is at 2.841556 0.560669 3.767826 ESP Fit Center 1431 is at 2.406852 0.520388 3.767826 ESP Fit Center 1432 is at 2.016053 0.325793 3.767826 ESP Fit Center 1433 is at 1.721940 0.003166 3.767826 ESP Fit Center 1434 is at 1.564234 -0.403920 3.767826 ESP Fit Center 1435 is at 1.564234 -0.840486 3.767826 ESP Fit Center 1436 is at 1.721940 -1.247573 3.767826 ESP Fit Center 1437 is at 2.016053 -1.570199 3.767826 ESP Fit Center 1438 is at 3.839667 -1.051336 3.767826 ESP Fit Center 1439 is at 4.186869 -0.622203 3.419886 ESP Fit Center 1440 is at 4.122231 -0.193357 3.419886 ESP Fit Center 1441 is at 3.934060 0.197384 3.419886 ESP Fit Center 1442 is at 3.639076 0.515301 3.419886 ESP Fit Center 1443 is at 3.263490 0.732146 3.419886 ESP Fit Center 1444 is at 2.840673 0.828651 3.419886 ESP Fit Center 1445 is at 2.408196 0.796242 3.419886 ESP Fit Center 1446 is at 2.004485 0.637797 3.419886 ESP Fit Center 1447 is at 1.665413 0.367396 3.419886 ESP Fit Center 1448 is at 1.421107 0.009064 3.419886 ESP Fit Center 1449 is at 1.293274 -0.405358 3.419886 ESP Fit Center 1450 is at 1.293274 -0.839048 3.419886 ESP Fit Center 1451 is at 1.421107 -1.253470 3.419886 ESP Fit Center 1452 is at 4.299408 -0.202203 3.014702 ESP Fit Center 1453 is at 4.137294 0.189175 3.014702 ESP Fit Center 1454 is at 3.879408 0.525258 3.014702 ESP Fit Center 1455 is at 3.543324 0.783144 3.014702 ESP Fit Center 1456 is at 3.151947 0.945258 3.014702 ESP Fit Center 1457 is at 2.731947 1.000552 3.014702 ESP Fit Center 1458 is at 2.311947 0.945258 3.014702 ESP Fit Center 1459 is at 1.920569 0.783144 3.014702 ESP Fit Center 1460 is at 1.584485 0.525258 3.014702 ESP Fit Center 1461 is at 1.326599 0.189175 3.014702 ESP Fit Center 1462 is at 1.164485 -0.202203 3.014702 ESP Fit Center 1463 is at 1.109191 -0.622203 3.014702 ESP Fit Center 1464 is at 3.632136 0.796268 2.579886 ESP Fit Center 1465 is at 3.251095 0.975572 2.579886 ESP Fit Center 1466 is at 2.837435 1.054482 2.579886 ESP Fit Center 1467 is at 2.417146 1.028040 2.579886 ESP Fit Center 1468 is at 2.016638 0.897906 2.579886 ESP Fit Center 1469 is at 1.661074 0.672259 2.579886 ESP Fit Center 1470 is at 1.372798 0.365276 2.579886 ESP Fit Center 1471 is at 1.169922 -0.003754 2.579886 ESP Fit Center 1472 is at 3.151947 0.945258 2.145070 ESP Fit Center 1473 is at 2.731947 1.000552 2.145070 ESP Fit Center 1474 is at 2.311947 0.945258 2.145070 ESP Fit Center 1475 is at 1.920569 0.783144 2.145070 ESP Fit Center 1476 is at 1.584485 0.525258 2.145070 ESP Fit Center 1477 is at 1.326599 0.189175 2.145070 ESP Fit Center 1478 is at 2.840673 0.828651 1.739886 ESP Fit Center 1479 is at 2.408196 0.796242 1.739886 ESP Fit Center 1480 is at 3.287871 -2.253805 3.930543 ESP Fit Center 1481 is at 3.722687 -2.253805 3.873298 ESP Fit Center 1482 is at 3.505279 -1.877243 3.873298 ESP Fit Center 1483 is at 3.070463 -1.877243 3.873298 ESP Fit Center 1484 is at 2.853055 -2.253805 3.873298 ESP Fit Center 1485 is at 3.070463 -2.630367 3.873298 ESP Fit Center 1486 is at 3.505279 -2.630367 3.873298 ESP Fit Center 1487 is at 4.127871 -2.253805 3.705466 ESP Fit Center 1488 is at 4.015332 -1.833805 3.705466 ESP Fit Center 1489 is at 2.447871 -2.253805 3.705466 ESP Fit Center 1490 is at 2.560409 -2.673805 3.705466 ESP Fit Center 1491 is at 2.867871 -2.981266 3.705466 ESP Fit Center 1492 is at 3.287871 -3.093805 3.705466 ESP Fit Center 1493 is at 3.707871 -2.981266 3.705466 ESP Fit Center 1494 is at 4.015332 -2.673805 3.705466 ESP Fit Center 1495 is at 4.475810 -2.253805 3.438482 ESP Fit Center 1496 is at 4.395591 -1.824672 3.438482 ESP Fit Center 1497 is at 2.120158 -2.472088 3.438482 ESP Fit Center 1498 is at 2.277864 -2.879175 3.438482 ESP Fit Center 1499 is at 2.571977 -3.201801 3.438482 ESP Fit Center 1500 is at 2.962775 -3.396396 3.438482 ESP Fit Center 1501 is at 3.397480 -3.436677 3.438482 ESP Fit Center 1502 is at 3.817381 -3.317205 3.438482 ESP Fit Center 1503 is at 4.165768 -3.054115 3.438482 ESP Fit Center 1504 is at 4.395591 -2.682938 3.438482 ESP Fit Center 1505 is at 4.742793 -2.253805 3.090543 ESP Fit Center 1506 is at 4.678155 -1.824959 3.090543 ESP Fit Center 1507 is at 1.977030 -2.885072 3.090543 ESP Fit Center 1508 is at 2.221337 -3.243404 3.090543 ESP Fit Center 1509 is at 2.560409 -3.513805 3.090543 ESP Fit Center 1510 is at 2.964120 -3.672250 3.090543 ESP Fit Center 1511 is at 3.396597 -3.704659 3.090543 ESP Fit Center 1512 is at 3.819413 -3.608154 3.090543 ESP Fit Center 1513 is at 4.195000 -3.391309 3.090543 ESP Fit Center 1514 is at 4.489984 -3.073392 3.090543 ESP Fit Center 1515 is at 4.678155 -2.682651 3.090543 ESP Fit Center 1516 is at 4.910626 -2.253805 2.685359 ESP Fit Center 1517 is at 4.855332 -1.833805 2.685359 ESP Fit Center 1518 is at 1.882523 -3.065183 2.685359 ESP Fit Center 1519 is at 2.140409 -3.401266 2.685359 ESP Fit Center 1520 is at 2.476493 -3.659152 2.685359 ESP Fit Center 1521 is at 2.867871 -3.821266 2.685359 ESP Fit Center 1522 is at 3.287871 -3.876560 2.685359 ESP Fit Center 1523 is at 3.707871 -3.821266 2.685359 ESP Fit Center 1524 is at 4.099248 -3.659152 2.685359 ESP Fit Center 1525 is at 4.435332 -3.401266 2.685359 ESP Fit Center 1526 is at 4.693218 -3.065183 2.685359 ESP Fit Center 1527 is at 4.855332 -2.673805 2.685359 ESP Fit Center 1528 is at 4.967871 -2.253805 2.250543 ESP Fit Center 1529 is at 1.928722 -3.241284 2.250543 ESP Fit Center 1530 is at 2.216998 -3.548267 2.250543 ESP Fit Center 1531 is at 2.572561 -3.773914 2.250543 ESP Fit Center 1532 is at 2.973070 -3.904048 2.250543 ESP Fit Center 1533 is at 3.393359 -3.930490 2.250543 ESP Fit Center 1534 is at 3.807019 -3.851580 2.250543 ESP Fit Center 1535 is at 4.188060 -3.672276 2.250543 ESP Fit Center 1536 is at 4.512538 -3.403844 2.250543 ESP Fit Center 1537 is at 4.760066 -3.063151 2.250543 ESP Fit Center 1538 is at 4.915090 -2.671604 2.250543 ESP Fit Center 1539 is at 2.140409 -3.401266 1.815727 ESP Fit Center 1540 is at 2.476493 -3.659152 1.815727 ESP Fit Center 1541 is at 2.867871 -3.821266 1.815727 ESP Fit Center 1542 is at 3.287871 -3.876560 1.815727 ESP Fit Center 1543 is at 3.707871 -3.821266 1.815727 ESP Fit Center 1544 is at 4.099248 -3.659152 1.815727 ESP Fit Center 1545 is at 4.435332 -3.401266 1.815727 ESP Fit Center 1546 is at 4.693218 -3.065183 1.815727 ESP Fit Center 1547 is at 4.855332 -2.673805 1.815727 ESP Fit Center 1548 is at 2.964120 -3.672250 1.410543 ESP Fit Center 1549 is at 3.396597 -3.704659 1.410543 ESP Fit Center 1550 is at 3.819413 -3.608154 1.410543 ESP Fit Center 1551 is at 4.195000 -3.391309 1.410543 ESP Fit Center 1552 is at 4.489984 -3.073392 1.410543 ESP Fit Center 1553 is at 3.397480 -3.436677 1.062603 ESP Fit Center 1554 is at 3.817381 -3.317205 1.062603 ESP Fit Center 1555 is at 4.165768 -3.054115 1.062603 ESP Fit Center 1556 is at 4.683489 -0.063463 2.930047 ESP Fit Center 1557 is at 5.118305 -0.063463 2.872803 ESP Fit Center 1558 is at 4.900897 0.313099 2.872803 ESP Fit Center 1559 is at 4.466081 0.313099 2.872803 ESP Fit Center 1560 is at 4.900897 -0.440025 2.872803 ESP Fit Center 1561 is at 5.523489 -0.063463 2.704970 ESP Fit Center 1562 is at 5.410951 0.356537 2.704970 ESP Fit Center 1563 is at 5.103489 0.663998 2.704970 ESP Fit Center 1564 is at 4.683489 0.776537 2.704970 ESP Fit Center 1565 is at 4.263489 0.663998 2.704970 ESP Fit Center 1566 is at 5.103489 -0.790924 2.704970 ESP Fit Center 1567 is at 5.410951 -0.483463 2.704970 ESP Fit Center 1568 is at 5.871429 -0.063463 2.437987 ESP Fit Center 1569 is at 5.791210 0.365670 2.437987 ESP Fit Center 1570 is at 5.561387 0.736846 2.437987 ESP Fit Center 1571 is at 5.212999 0.999937 2.437987 ESP Fit Center 1572 is at 4.793098 1.119409 2.437987 ESP Fit Center 1573 is at 4.358394 1.079127 2.437987 ESP Fit Center 1574 is at 3.967596 0.884533 2.437987 ESP Fit Center 1575 is at 5.561387 -0.863773 2.437987 ESP Fit Center 1576 is at 5.791210 -0.492596 2.437987 ESP Fit Center 1577 is at 6.138412 -0.063463 2.090047 ESP Fit Center 1578 is at 6.073774 0.365383 2.090047 ESP Fit Center 1579 is at 5.885603 0.756124 2.090047 ESP Fit Center 1580 is at 5.590619 1.074041 2.090047 ESP Fit Center 1581 is at 5.215032 1.290886 2.090047 ESP Fit Center 1582 is at 4.792216 1.387391 2.090047 ESP Fit Center 1583 is at 4.359738 1.354982 2.090047 ESP Fit Center 1584 is at 3.956028 1.196537 2.090047 ESP Fit Center 1585 is at 3.616955 0.926136 2.090047 ESP Fit Center 1586 is at 5.590619 -1.200968 2.090047 ESP Fit Center 1587 is at 5.885603 -0.883050 2.090047 ESP Fit Center 1588 is at 6.073774 -0.492309 2.090047 ESP Fit Center 1589 is at 6.306245 -0.063463 1.684863 ESP Fit Center 1590 is at 6.250951 0.356537 1.684863 ESP Fit Center 1591 is at 6.088837 0.747915 1.684863 ESP Fit Center 1592 is at 5.830951 1.083998 1.684863 ESP Fit Center 1593 is at 5.494867 1.341884 1.684863 ESP Fit Center 1594 is at 5.103489 1.503998 1.684863 ESP Fit Center 1595 is at 4.683489 1.559292 1.684863 ESP Fit Center 1596 is at 4.263489 1.503998 1.684863 ESP Fit Center 1597 is at 3.872112 1.341884 1.684863 ESP Fit Center 1598 is at 5.830951 -1.210924 1.684863 ESP Fit Center 1599 is at 6.088837 -0.874841 1.684863 ESP Fit Center 1600 is at 6.250951 -0.483463 1.684863 ESP Fit Center 1601 is at 6.363489 -0.063463 1.250047 ESP Fit Center 1602 is at 6.310709 0.354336 1.250047 ESP Fit Center 1603 is at 6.155684 0.745883 1.250047 ESP Fit Center 1604 is at 5.908156 1.086576 1.250047 ESP Fit Center 1605 is at 5.583678 1.355008 1.250047 ESP Fit Center 1606 is at 5.202638 1.534312 1.250047 ESP Fit Center 1607 is at 4.788977 1.613222 1.250047 ESP Fit Center 1608 is at 4.368689 1.586779 1.250047 ESP Fit Center 1609 is at 3.968180 1.456646 1.250047 ESP Fit Center 1610 is at 6.155684 -0.872809 1.250047 ESP Fit Center 1611 is at 6.310709 -0.481262 1.250047 ESP Fit Center 1612 is at 6.306245 -0.063463 0.815231 ESP Fit Center 1613 is at 6.250951 0.356537 0.815231 ESP Fit Center 1614 is at 6.088837 0.747915 0.815231 ESP Fit Center 1615 is at 5.830951 1.083998 0.815231 ESP Fit Center 1616 is at 5.494867 1.341884 0.815231 ESP Fit Center 1617 is at 5.103489 1.503998 0.815231 ESP Fit Center 1618 is at 4.683489 1.559292 0.815231 ESP Fit Center 1619 is at 4.263489 1.503998 0.815231 ESP Fit Center 1620 is at 6.088837 -0.874841 0.815231 ESP Fit Center 1621 is at 6.250951 -0.483463 0.815231 ESP Fit Center 1622 is at 6.138412 -0.063463 0.410047 ESP Fit Center 1623 is at 6.073774 0.365383 0.410047 ESP Fit Center 1624 is at 5.885603 0.756124 0.410047 ESP Fit Center 1625 is at 5.590619 1.074041 0.410047 ESP Fit Center 1626 is at 5.215032 1.290886 0.410047 ESP Fit Center 1627 is at 6.073774 -0.492309 0.410047 ESP Fit Center 1628 is at 5.871429 -0.063463 0.062108 ESP Fit Center 1629 is at 5.791210 0.365670 0.062108 ESP Fit Center 1630 is at 5.561387 0.736846 0.062108 ESP Fit Center 1631 is at 5.050601 -2.583961 1.484408 ESP Fit Center 1632 is at 5.398988 -2.320871 1.484408 ESP Fit Center 1633 is at 5.628811 -1.949694 1.484408 ESP Fit Center 1634 is at 5.976013 -1.520561 1.136468 ESP Fit Center 1635 is at 4.629817 -2.971416 1.136468 ESP Fit Center 1636 is at 5.052633 -2.874910 1.136468 ESP Fit Center 1637 is at 5.428220 -2.658065 1.136468 ESP Fit Center 1638 is at 5.723204 -2.340148 1.136468 ESP Fit Center 1639 is at 5.911375 -1.949407 1.136468 ESP Fit Center 1640 is at 6.143846 -1.520561 0.731284 ESP Fit Center 1641 is at 6.088552 -1.100561 0.731284 ESP Fit Center 1642 is at 4.101091 -3.088022 0.731284 ESP Fit Center 1643 is at 4.521091 -3.143317 0.731284 ESP Fit Center 1644 is at 4.941091 -3.088022 0.731284 ESP Fit Center 1645 is at 5.332468 -2.925909 0.731284 ESP Fit Center 1646 is at 5.668552 -2.668022 0.731284 ESP Fit Center 1647 is at 5.926438 -2.331939 0.731284 ESP Fit Center 1648 is at 6.088552 -1.940561 0.731284 ESP Fit Center 1649 is at 6.201091 -1.520561 0.296468 ESP Fit Center 1650 is at 6.148310 -1.102762 0.296468 ESP Fit Center 1651 is at 3.450218 -2.815023 0.296468 ESP Fit Center 1652 is at 3.805781 -3.040671 0.296468 ESP Fit Center 1653 is at 4.206290 -3.170804 0.296468 ESP Fit Center 1654 is at 4.626579 -3.197246 0.296468 ESP Fit Center 1655 is at 5.040239 -3.118336 0.296468 ESP Fit Center 1656 is at 5.421280 -2.939032 0.296468 ESP Fit Center 1657 is at 5.745758 -2.670600 0.296468 ESP Fit Center 1658 is at 5.993286 -2.329907 0.296468 ESP Fit Center 1659 is at 6.148310 -1.938360 0.296468 ESP Fit Center 1660 is at 6.143846 -1.520561 -0.138348 ESP Fit Center 1661 is at 6.088552 -1.100561 -0.138348 ESP Fit Center 1662 is at 5.926438 -0.709183 -0.138348 ESP Fit Center 1663 is at 3.373629 -2.668022 -0.138348 ESP Fit Center 1664 is at 3.709713 -2.925909 -0.138348 ESP Fit Center 1665 is at 4.101091 -3.088022 -0.138348 ESP Fit Center 1666 is at 4.521091 -3.143317 -0.138348 ESP Fit Center 1667 is at 4.941091 -3.088022 -0.138348 ESP Fit Center 1668 is at 5.332468 -2.925909 -0.138348 ESP Fit Center 1669 is at 5.668552 -2.668022 -0.138348 ESP Fit Center 1670 is at 5.926438 -2.331939 -0.138348 ESP Fit Center 1671 is at 6.088552 -1.940561 -0.138348 ESP Fit Center 1672 is at 5.976013 -1.520561 -0.543532 ESP Fit Center 1673 is at 5.911375 -1.091715 -0.543532 ESP Fit Center 1674 is at 5.723204 -0.700974 -0.543532 ESP Fit Center 1675 is at 3.454557 -2.510160 -0.543532 ESP Fit Center 1676 is at 3.793629 -2.780561 -0.543532 ESP Fit Center 1677 is at 4.197340 -2.939006 -0.543532 ESP Fit Center 1678 is at 4.629817 -2.971416 -0.543532 ESP Fit Center 1679 is at 5.052633 -2.874910 -0.543532 ESP Fit Center 1680 is at 5.428220 -2.658065 -0.543532 ESP Fit Center 1681 is at 5.723204 -2.340148 -0.543532 ESP Fit Center 1682 is at 5.911375 -1.949407 -0.543532 ESP Fit Center 1683 is at 5.709030 -1.520561 -0.891471 ESP Fit Center 1684 is at 5.628811 -1.091428 -0.891471 ESP Fit Center 1685 is at 5.398988 -0.720252 -0.891471 ESP Fit Center 1686 is at 3.511084 -2.145931 -0.891471 ESP Fit Center 1687 is at 3.805197 -2.468557 -0.891471 ESP Fit Center 1688 is at 4.195995 -2.663152 -0.891471 ESP Fit Center 1689 is at 4.630700 -2.703433 -0.891471 ESP Fit Center 1690 is at 5.050601 -2.583961 -0.891471 ESP Fit Center 1691 is at 5.398988 -2.320871 -0.891471 ESP Fit Center 1692 is at 5.628811 -1.949694 -0.891471 ESP Fit Center 1693 is at 5.361091 -1.520561 -1.158454 ESP Fit Center 1694 is at 5.248552 -1.100561 -1.158454 ESP Fit Center 1695 is at 3.793629 -1.940561 -1.158454 ESP Fit Center 1696 is at 4.101091 -2.248022 -1.158454 ESP Fit Center 1697 is at 4.521091 -2.360561 -1.158454 ESP Fit Center 1698 is at 4.941091 -2.248022 -1.158454 ESP Fit Center 1699 is at 5.248552 -1.940561 -1.158454 ESP Fit Center 1700 is at 4.955907 -1.520561 -1.326287 ESP Fit Center 1701 is at 4.738499 -1.143999 -1.326287 ESP Fit Center 1702 is at 4.303683 -1.897123 -1.326287 ESP Fit Center 1703 is at 4.738499 -1.897123 -1.326287 ESP Fit Center 1704 is at 4.521091 -1.520561 -1.383532 ESP Fit Center 1705 is at 4.471651 1.540080 0.674000 ESP Fit Center 1706 is at 4.129493 1.798465 0.674000 ESP Fit Center 1707 is at 3.717100 1.915801 0.674000 ESP Fit Center 1708 is at 4.858648 1.556891 0.412838 ESP Fit Center 1709 is at 4.581869 1.876312 0.412838 ESP Fit Center 1710 is at 4.226311 2.104815 0.412838 ESP Fit Center 1711 is at 3.820777 2.223890 0.412838 ESP Fit Center 1712 is at 3.398124 2.223890 0.412838 ESP Fit Center 1713 is at 5.304799 1.171946 0.094611 ESP Fit Center 1714 is at 5.155533 1.565527 0.094611 ESP Fit Center 1715 is at 4.916415 1.911950 0.094611 ESP Fit Center 1716 is at 4.601341 2.191081 0.094611 ESP Fit Center 1717 is at 4.228621 2.386700 0.094611 ESP Fit Center 1718 is at 3.819918 2.487436 0.094611 ESP Fit Center 1719 is at 3.398983 2.487436 0.094611 ESP Fit Center 1720 is at 5.549598 0.754081 -0.268451 ESP Fit Center 1721 is at 5.504238 1.171155 -0.268451 ESP Fit Center 1722 is at 5.370280 1.568727 -0.268451 ESP Fit Center 1723 is at 5.153988 1.928208 -0.268451 ESP Fit Center 1724 is at 4.865475 2.232787 -0.268451 ESP Fit Center 1725 is at 4.518232 2.468224 -0.268451 ESP Fit Center 1726 is at 4.128495 2.623509 -0.268451 ESP Fit Center 1727 is at 3.714488 2.691382 -0.268451 ESP Fit Center 1728 is at 3.295570 2.668669 -0.268451 ESP Fit Center 1729 is at 5.504238 0.337006 -0.268451 ESP Fit Center 1730 is at 5.669100 0.754081 -0.662397 ESP Fit Center 1731 is at 5.626939 1.168685 -0.662397 ESP Fit Center 1732 is at 5.502181 1.566315 -0.662397 ESP Fit Center 1733 is at 5.299935 1.930693 -0.662397 ESP Fit Center 1734 is at 5.028481 2.246899 -0.662397 ESP Fit Center 1735 is at 4.698931 2.501990 -0.662397 ESP Fit Center 1736 is at 4.324778 2.685521 -0.662397 ESP Fit Center 1737 is at 3.921339 2.789979 -0.662397 ESP Fit Center 1738 is at 3.505131 2.811086 -0.662397 ESP Fit Center 1739 is at 3.093194 2.747980 -0.662397 ESP Fit Center 1740 is at 5.502181 -0.058154 -0.662397 ESP Fit Center 1741 is at 5.626939 0.339476 -0.662397 ESP Fit Center 1742 is at 5.709451 0.754081 -1.072086 ESP Fit Center 1743 is at 5.669100 1.163770 -1.072086 ESP Fit Center 1744 is at 5.549598 1.557716 -1.072086 ESP Fit Center 1745 is at 5.355537 1.920778 -1.072086 ESP Fit Center 1746 is at 5.094375 2.239005 -1.072086 ESP Fit Center 1747 is at 4.776148 2.500167 -1.072086 ESP Fit Center 1748 is at 4.413086 2.694228 -1.072086 ESP Fit Center 1749 is at 4.019140 2.813730 -1.072086 ESP Fit Center 1750 is at 3.609451 2.854081 -1.072086 ESP Fit Center 1751 is at 3.199761 2.813730 -1.072086 ESP Fit Center 1752 is at 2.805816 2.694228 -1.072086 ESP Fit Center 1753 is at 5.094375 -0.730844 -1.072086 ESP Fit Center 1754 is at 5.355537 -0.412617 -1.072086 ESP Fit Center 1755 is at 5.549598 -0.049555 -1.072086 ESP Fit Center 1756 is at 5.669100 0.344391 -1.072086 ESP Fit Center 1757 is at 5.669100 0.754081 -1.481776 ESP Fit Center 1758 is at 5.626939 1.168685 -1.481776 ESP Fit Center 1759 is at 5.502181 1.566315 -1.481776 ESP Fit Center 1760 is at 5.299935 1.930693 -1.481776 ESP Fit Center 1761 is at 5.028481 2.246899 -1.481776 ESP Fit Center 1762 is at 4.698931 2.501990 -1.481776 ESP Fit Center 1763 is at 4.324778 2.685521 -1.481776 ESP Fit Center 1764 is at 3.921339 2.789979 -1.481776 ESP Fit Center 1765 is at 3.505131 2.811086 -1.481776 ESP Fit Center 1766 is at 4.698931 -0.993829 -1.481776 ESP Fit Center 1767 is at 5.028481 -0.738738 -1.481776 ESP Fit Center 1768 is at 5.299935 -0.422531 -1.481776 ESP Fit Center 1769 is at 5.502181 -0.058154 -1.481776 ESP Fit Center 1770 is at 5.626939 0.339476 -1.481776 ESP Fit Center 1771 is at 5.549598 0.754081 -1.875722 ESP Fit Center 1772 is at 5.504238 1.171155 -1.875722 ESP Fit Center 1773 is at 5.370280 1.568727 -1.875722 ESP Fit Center 1774 is at 5.153988 1.928208 -1.875722 ESP Fit Center 1775 is at 4.865475 2.232787 -1.875722 ESP Fit Center 1776 is at 4.518232 2.468224 -1.875722 ESP Fit Center 1777 is at 4.128495 2.623509 -1.875722 ESP Fit Center 1778 is at 3.714488 2.691382 -1.875722 ESP Fit Center 1779 is at 3.714488 -1.183221 -1.875722 ESP Fit Center 1780 is at 4.128495 -1.115348 -1.875722 ESP Fit Center 1781 is at 4.518232 -0.960063 -1.875722 ESP Fit Center 1782 is at 4.865475 -0.724626 -1.875722 ESP Fit Center 1783 is at 5.153988 -0.420046 -1.875722 ESP Fit Center 1784 is at 5.370280 -0.060566 -1.875722 ESP Fit Center 1785 is at 5.504238 0.337006 -1.875722 ESP Fit Center 1786 is at 5.355537 0.754081 -2.238784 ESP Fit Center 1787 is at 5.304799 1.171946 -2.238784 ESP Fit Center 1788 is at 5.155533 1.565527 -2.238784 ESP Fit Center 1789 is at 4.916415 1.911950 -2.238784 ESP Fit Center 1790 is at 4.601341 2.191081 -2.238784 ESP Fit Center 1791 is at 4.228621 2.386700 -2.238784 ESP Fit Center 1792 is at 3.819918 2.487436 -2.238784 ESP Fit Center 1793 is at 2.617561 -0.682920 -2.238784 ESP Fit Center 1794 is at 2.990280 -0.878538 -2.238784 ESP Fit Center 1795 is at 3.398983 -0.979275 -2.238784 ESP Fit Center 1796 is at 3.819918 -0.979275 -2.238784 ESP Fit Center 1797 is at 4.228621 -0.878538 -2.238784 ESP Fit Center 1798 is at 4.601341 -0.682920 -2.238784 ESP Fit Center 1799 is at 4.916415 -0.403789 -2.238784 ESP Fit Center 1800 is at 5.155533 -0.057366 -2.238784 ESP Fit Center 1801 is at 5.304799 0.336215 -2.238784 ESP Fit Center 1802 is at 5.094375 0.754081 -2.557011 ESP Fit Center 1803 is at 5.034225 1.172432 -2.557011 ESP Fit Center 1804 is at 4.858648 1.556891 -2.557011 ESP Fit Center 1805 is at 4.581869 1.876312 -2.557011 ESP Fit Center 1806 is at 4.226311 2.104815 -2.557011 ESP Fit Center 1807 is at 2.637032 -0.368150 -2.557011 ESP Fit Center 1808 is at 2.992591 -0.596654 -2.557011 ESP Fit Center 1809 is at 3.398124 -0.715729 -2.557011 ESP Fit Center 1810 is at 3.820777 -0.715729 -2.557011 ESP Fit Center 1811 is at 4.226311 -0.596654 -2.557011 ESP Fit Center 1812 is at 4.581869 -0.368150 -2.557011 ESP Fit Center 1813 is at 4.858648 -0.048730 -2.557011 ESP Fit Center 1814 is at 5.034225 0.335729 -2.557011 ESP Fit Center 1815 is at 4.776148 0.754081 -2.818172 ESP Fit Center 1816 is at 4.697364 1.175540 -2.818172 ESP Fit Center 1817 is at 4.471651 1.540080 -2.818172 ESP Fit Center 1818 is at 4.129493 1.798465 -2.818172 ESP Fit Center 1819 is at 2.906358 -0.176964 -2.818172 ESP Fit Center 1820 is at 3.290169 -0.368079 -2.818172 ESP Fit Center 1821 is at 3.717100 -0.407640 -2.818172 ESP Fit Center 1822 is at 4.129493 -0.290304 -2.818172 ESP Fit Center 1823 is at 4.471651 -0.031918 -2.818172 ESP Fit Center 1824 is at 4.697364 0.332621 -2.818172 ESP Fit Center 1825 is at 4.413086 0.754081 -3.012233 ESP Fit Center 1826 is at 4.305419 1.155898 -3.012233 ESP Fit Center 1827 is at 4.011268 1.450049 -3.012233 ESP Fit Center 1828 is at 3.207633 0.058112 -3.012233 ESP Fit Center 1829 is at 3.609451 -0.049555 -3.012233 ESP Fit Center 1830 is at 4.011268 0.058112 -3.012233 ESP Fit Center 1831 is at 4.305419 0.352263 -3.012233 ESP Fit Center 1832 is at 4.019140 0.754081 -3.131735 ESP Fit Center 1833 is at 3.814296 0.399279 -3.131735 ESP Fit Center 1834 is at 2.942772 2.763676 -1.278901 ESP Fit Center 1835 is at 2.522772 2.708382 -1.278901 ESP Fit Center 1836 is at 2.131394 2.546268 -1.278901 ESP Fit Center 1837 is at 3.048260 2.817605 -1.713717 ESP Fit Center 1838 is at 2.627971 2.791163 -1.713717 ESP Fit Center 1839 is at 2.227463 2.661030 -1.713717 ESP Fit Center 1840 is at 3.362772 2.708382 -2.148533 ESP Fit Center 1841 is at 2.942772 2.763676 -2.148533 ESP Fit Center 1842 is at 2.522772 2.708382 -2.148533 ESP Fit Center 1843 is at 2.131394 2.546268 -2.148533 ESP Fit Center 1844 is at 3.849901 2.278425 -2.553717 ESP Fit Center 1845 is at 3.474315 2.495270 -2.553717 ESP Fit Center 1846 is at 3.051498 2.591775 -2.553717 ESP Fit Center 1847 is at 2.619021 2.559365 -2.553717 ESP Fit Center 1848 is at 2.215310 2.400921 -2.553717 ESP Fit Center 1849 is at 1.876238 2.130519 -2.553717 ESP Fit Center 1850 is at 3.820670 1.941230 -2.901656 ESP Fit Center 1851 is at 3.472282 2.204320 -2.901656 ESP Fit Center 1852 is at 3.052381 2.323792 -2.901656 ESP Fit Center 1853 is at 2.617677 2.283511 -2.901656 ESP Fit Center 1854 is at 2.226878 2.088917 -2.901656 ESP Fit Center 1855 is at 1.932765 1.766290 -2.901656 ESP Fit Center 1856 is at 2.226878 0.192924 -2.901656 ESP Fit Center 1857 is at 2.617677 -0.001670 -2.901656 ESP Fit Center 1858 is at 3.782772 1.140921 -3.168640 ESP Fit Center 1859 is at 3.670233 1.560921 -3.168640 ESP Fit Center 1860 is at 3.362772 1.868382 -3.168640 ESP Fit Center 1861 is at 2.942772 1.980921 -3.168640 ESP Fit Center 1862 is at 2.522772 1.868382 -3.168640 ESP Fit Center 1863 is at 2.215310 1.560921 -3.168640 ESP Fit Center 1864 is at 2.102772 1.140921 -3.168640 ESP Fit Center 1865 is at 2.215310 0.720921 -3.168640 ESP Fit Center 1866 is at 2.522772 0.413459 -3.168640 ESP Fit Center 1867 is at 2.942772 0.300921 -3.168640 ESP Fit Center 1868 is at 3.362772 0.413459 -3.168640 ESP Fit Center 1869 is at 3.377588 1.140921 -3.336472 ESP Fit Center 1870 is at 3.160180 1.517482 -3.336472 ESP Fit Center 1871 is at 2.725364 1.517482 -3.336472 ESP Fit Center 1872 is at 2.507956 1.140921 -3.336472 ESP Fit Center 1873 is at 2.725364 0.764359 -3.336472 ESP Fit Center 1874 is at 3.160180 0.764359 -3.336472 ESP Fit Center 1875 is at 2.942772 1.140921 -3.393717 ESP Fit Center 1876 is at -0.245614 4.730267 -1.145730 ESP Fit Center 1877 is at 2.394302 2.788176 2.376602 ESP Fit Center 1878 is at 2.337095 3.204389 2.376602 ESP Fit Center 1879 is at 2.169716 3.589733 2.376602 ESP Fit Center 1880 is at 1.904580 3.915629 2.376602 ESP Fit Center 1881 is at 1.561350 4.157908 2.376602 ESP Fit Center 1882 is at 2.169716 1.986619 2.376602 ESP Fit Center 1883 is at 2.337095 2.371963 2.376602 ESP Fit Center 1884 is at 2.690118 2.788176 2.080786 ESP Fit Center 1885 is at 2.640561 3.212165 2.080786 ESP Fit Center 1886 is at 2.494561 3.613296 2.080786 ESP Fit Center 1887 is at 2.259990 3.969945 2.080786 ESP Fit Center 1888 is at 1.949492 4.262885 2.080786 ESP Fit Center 1889 is at 0.744712 4.623572 2.080786 ESP Fit Center 1890 is at 0.324322 4.549446 2.080786 ESP Fit Center 1891 is at 1.579807 1.100029 2.080786 ESP Fit Center 1892 is at 1.949492 1.313467 2.080786 ESP Fit Center 1893 is at 2.494561 1.963055 2.080786 ESP Fit Center 1894 is at 2.640561 2.364187 2.080786 ESP Fit Center 1895 is at 2.930073 2.788176 1.738095 ESP Fit Center 1896 is at 2.887527 3.206567 1.738095 ESP Fit Center 1897 is at 2.761630 3.607829 1.738095 ESP Fit Center 1898 is at 2.557537 3.975534 1.738095 ESP Fit Center 1899 is at -0.063730 4.654227 1.738095 ESP Fit Center 1900 is at -0.420627 4.431772 1.738095 ESP Fit Center 1901 is at -0.725437 4.142028 1.738095 ESP Fit Center 1902 is at 3.066119 3.214987 1.358944 ESP Fit Center 1903 is at 2.945325 3.626372 1.358944 ESP Fit Center 1904 is at -0.276019 4.741290 1.358944 ESP Fit Center 1905 is at -0.625271 4.492589 1.358944 ESP Fit Center 1906 is at 3.177167 3.210202 0.954851 ESP Fit Center 1907 is at 3.064439 3.618664 0.954851 ESP Fit Center 1908 is at -0.450455 4.760722 0.954851 ESP Fit Center 1909 is at 3.106874 3.609024 0.538095 ESP Fit Center 1910 is at 3.064439 3.618664 0.121340 ESP Fit Center 1911 is at 2.640561 3.212165 -1.004595 ESP Fit Center 1912 is at 2.337095 3.204389 -1.300411 ESP Fit Center 1913 is at 2.169716 3.589733 -1.300411 ESP Fit Center 1914 is at 2.193552 2.952673 -1.460166 ESP Fit Center 1915 is at 2.074087 3.359531 -1.460166 ESP Fit Center 1916 is at 1.879784 3.736428 -1.460166 ESP Fit Center 1917 is at 0.929974 4.559442 -1.460166 ESP Fit Center 1918 is at 0.529261 4.698130 -1.460166 ESP Fit Center 1919 is at 0.109543 4.758477 -1.460166 ESP Fit Center 1920 is at -0.314011 4.738300 -1.460166 ESP Fit Center 1921 is at -0.726093 4.638330 -1.460166 ESP Fit Center 1922 is at 2.193552 2.952673 -1.873528 ESP Fit Center 1923 is at 2.074087 3.359531 -1.873528 ESP Fit Center 1924 is at 1.879784 3.736428 -1.873528 ESP Fit Center 1925 is at 1.617663 4.069741 -1.873528 ESP Fit Center 1926 is at 1.297199 4.347425 -1.873528 ESP Fit Center 1927 is at 0.929974 4.559442 -1.873528 ESP Fit Center 1928 is at 0.529261 4.698130 -1.873528 ESP Fit Center 1929 is at 0.109543 4.758477 -1.873528 ESP Fit Center 1930 is at -0.314011 4.738300 -1.873528 ESP Fit Center 1931 is at -0.726093 4.638330 -1.873528 ESP Fit Center 1932 is at 2.116506 2.950878 -2.279852 ESP Fit Center 1933 is at 1.993903 3.355046 -2.279852 ESP Fit Center 1934 is at 1.794807 3.727529 -2.279852 ESP Fit Center 1935 is at 1.526868 4.054012 -2.279852 ESP Fit Center 1936 is at 1.200384 4.321951 -2.279852 ESP Fit Center 1937 is at 0.827902 4.521047 -2.279852 ESP Fit Center 1938 is at 0.423734 4.643650 -2.279852 ESP Fit Center 1939 is at 0.003414 4.685048 -2.279852 ESP Fit Center 1940 is at -0.416906 4.643650 -2.279852 ESP Fit Center 1941 is at 2.008580 2.530558 -2.665301 ESP Fit Center 1942 is at 1.964762 2.947456 -2.665301 ESP Fit Center 1943 is at 1.835224 3.346133 -2.665301 ESP Fit Center 1944 is at 1.625627 3.709165 -2.665301 ESP Fit Center 1945 is at 1.345132 4.020687 -2.665301 ESP Fit Center 1946 is at 1.005997 4.267083 -2.665301 ESP Fit Center 1947 is at 0.623044 4.437584 -2.665301 ESP Fit Center 1948 is at 0.213011 4.524740 -2.665301 ESP Fit Center 1949 is at -0.206183 4.524740 -2.665301 ESP Fit Center 1950 is at 1.790973 2.530558 -3.016749 ESP Fit Center 1951 is at 1.742789 2.942798 -3.016749 ESP Fit Center 1952 is at 1.600835 3.332813 -3.016749 ESP Fit Center 1953 is at 1.372763 3.679579 -3.016749 ESP Fit Center 1954 is at 1.070870 3.964401 -3.016749 ESP Fit Center 1955 is at 0.711430 4.171923 -3.016749 ESP Fit Center 1956 is at 0.313820 4.290960 -3.016749 ESP Fit Center 1957 is at -0.100523 4.315093 -3.016749 ESP Fit Center 1958 is at -0.509263 0.818096 -3.016749 ESP Fit Center 1959 is at 1.742789 2.118319 -3.016749 ESP Fit Center 1960 is at 1.512492 2.530558 -3.322227 ESP Fit Center 1961 is at 1.451364 2.955715 -3.322227 ESP Fit Center 1962 is at 1.272932 3.346428 -3.322227 ESP Fit Center 1963 is at 0.991650 3.671044 -3.322227 ESP Fit Center 1964 is at 0.630308 3.903264 -3.322227 ESP Fit Center 1965 is at 0.218178 4.024276 -3.322227 ESP Fit Center 1966 is at -0.211350 1.036840 -3.322227 ESP Fit Center 1967 is at 0.218178 1.036840 -3.322227 ESP Fit Center 1968 is at 1.272932 1.714689 -3.322227 ESP Fit Center 1969 is at 1.451364 2.105402 -3.322227 ESP Fit Center 1970 is at 1.182622 2.530558 -3.571334 ESP Fit Center 1971 is at 1.102993 2.956537 -3.571334 ESP Fit Center 1972 is at 0.874859 3.324986 -3.571334 ESP Fit Center 1973 is at 0.529032 3.586142 -3.571334 ESP Fit Center 1974 is at -0.319291 1.396366 -3.571334 ESP Fit Center 1975 is at 0.112218 1.356381 -3.571334 ESP Fit Center 1976 is at 0.529032 1.474975 -3.571334 ESP Fit Center 1977 is at 0.874859 1.736131 -3.571334 ESP Fit Center 1978 is at 1.102993 2.104579 -3.571334 ESP Fit Center 1979 is at 0.812596 2.530558 -3.755585 ESP Fit Center 1980 is at 0.704186 2.935149 -3.755585 ESP Fit Center 1981 is at 0.408005 3.231330 -3.755585 ESP Fit Center 1982 is at 0.003414 1.721377 -3.755585 ESP Fit Center 1983 is at 0.408005 1.829787 -3.755585 ESP Fit Center 1984 is at 0.704186 2.125968 -3.755585 ESP Fit Center 1985 is at 0.415013 2.530558 -3.868707 ESP Fit Center 1986 is at 0.209214 2.887014 -3.868707 ESP Fit Center 1987 is at 0.209214 2.174103 -3.868707 ESP Fit Center 1988 is at -3.547770 -1.912323 2.583028 ESP Fit Center 1989 is at -3.136171 -1.912323 2.544888 ESP Fit Center 1990 is at -3.341970 -1.555868 2.544888 ESP Fit Center 1991 is at -3.753569 -1.555868 2.544888 ESP Fit Center 1992 is at -3.959369 -1.912323 2.544888 ESP Fit Center 1993 is at -3.753569 -2.268778 2.544888 ESP Fit Center 1994 is at -3.341970 -2.268778 2.544888 ESP Fit Center 1995 is at -4.248541 -1.507732 2.431766 ESP Fit Center 1996 is at -4.356951 -1.912323 2.431766 ESP Fit Center 1997 is at -4.248541 -2.316913 2.431766 ESP Fit Center 1998 is at -3.952360 -2.613094 2.431766 ESP Fit Center 1999 is at -3.547770 -2.721504 2.431766 ESP Fit Center 2000 is at -3.143179 -2.613094 2.431766 ESP Fit Center 2001 is at -2.846998 -2.316913 2.431766 ESP Fit Center 2002 is at -4.550353 -1.291550 2.247514 ESP Fit Center 2003 is at -4.706900 -1.695644 2.247514 ESP Fit Center 2004 is at -4.706900 -2.129002 2.247514 ESP Fit Center 2005 is at -4.550353 -2.533096 2.247514 ESP Fit Center 2006 is at -4.258401 -2.853351 2.247514 ESP Fit Center 2007 is at -3.870475 -3.046515 2.247514 ESP Fit Center 2008 is at -3.438966 -3.086501 2.247514 ESP Fit Center 2009 is at -3.022152 -2.967907 2.247514 ESP Fit Center 2010 is at -2.676325 -2.706750 2.247514 ESP Fit Center 2011 is at -2.448191 -2.338302 2.247514 ESP Fit Center 2012 is at -4.995720 -1.487166 1.998408 ESP Fit Center 2013 is at -5.056848 -1.912323 1.998408 ESP Fit Center 2014 is at -4.995720 -2.337479 1.998408 ESP Fit Center 2015 is at -4.817287 -2.728192 1.998408 ESP Fit Center 2016 is at -4.536006 -3.052808 1.998408 ESP Fit Center 2017 is at -4.174664 -3.285029 1.998408 ESP Fit Center 2018 is at -3.762534 -3.406041 1.998408 ESP Fit Center 2019 is at -3.333006 -3.406041 1.998408 ESP Fit Center 2020 is at -2.920876 -3.285029 1.998408 ESP Fit Center 2021 is at -2.559534 -3.052808 1.998408 ESP Fit Center 2022 is at -2.278252 -2.728192 1.998408 ESP Fit Center 2023 is at -5.227525 -1.300942 1.692929 ESP Fit Center 2024 is at -5.323242 -1.704800 1.692929 ESP Fit Center 2025 is at -5.323242 -2.119846 1.692929 ESP Fit Center 2026 is at -5.227525 -2.523704 1.692929 ESP Fit Center 2027 is at -5.041253 -2.894602 1.692929 ESP Fit Center 2028 is at -4.774467 -3.212546 1.692929 ESP Fit Center 2029 is at -4.441549 -3.460394 1.692929 ESP Fit Center 2030 is at -4.060447 -3.624785 1.692929 ESP Fit Center 2031 is at -3.651707 -3.696857 1.692929 ESP Fit Center 2032 is at -3.237364 -3.672724 1.692929 ESP Fit Center 2033 is at -2.839754 -3.553688 1.692929 ESP Fit Center 2034 is at -2.480314 -3.346165 1.692929 ESP Fit Center 2035 is at -2.178420 -3.061343 1.692929 ESP Fit Center 2036 is at -5.379580 -1.096748 1.341482 ESP Fit Center 2037 is at -5.509118 -1.495425 1.341482 ESP Fit Center 2038 is at -5.552936 -1.912323 1.341482 ESP Fit Center 2039 is at -5.509118 -2.329220 1.341482 ESP Fit Center 2040 is at -5.379580 -2.727897 1.341482 ESP Fit Center 2041 is at -5.169983 -3.090930 1.341482 ESP Fit Center 2042 is at -4.889488 -3.402451 1.341482 ESP Fit Center 2043 is at -4.550353 -3.648847 1.341482 ESP Fit Center 2044 is at -4.167400 -3.819349 1.341482 ESP Fit Center 2045 is at -3.757367 -3.906504 1.341482 ESP Fit Center 2046 is at -3.338173 -3.906504 1.341482 ESP Fit Center 2047 is at -2.928139 -3.819349 1.341482 ESP Fit Center 2048 is at -2.545187 -3.648847 1.341482 ESP Fit Center 2049 is at -5.538258 -1.087835 0.956033 ESP Fit Center 2050 is at -5.660861 -1.492003 0.956033 ESP Fit Center 2051 is at -5.702259 -1.912323 0.956033 ESP Fit Center 2052 is at -5.660861 -2.332643 0.956033 ESP Fit Center 2053 is at -5.538258 -2.736810 0.956033 ESP Fit Center 2054 is at -5.339162 -3.109293 0.956033 ESP Fit Center 2055 is at -5.071224 -3.435777 0.956033 ESP Fit Center 2056 is at -4.744740 -3.703715 0.956033 ESP Fit Center 2057 is at -4.372257 -3.902812 0.956033 ESP Fit Center 2058 is at -3.968090 -4.025414 0.956033 ESP Fit Center 2059 is at -3.547770 -4.066812 0.956033 ESP Fit Center 2060 is at -3.127450 -4.025414 0.956033 ESP Fit Center 2061 is at -2.723282 -3.902812 0.956033 ESP Fit Center 2062 is at -5.530268 -0.890274 0.549709 ESP Fit Center 2063 is at -5.687866 -1.283934 0.549709 ESP Fit Center 2064 is at -5.768115 -1.700306 0.549709 ESP Fit Center 2065 is at -5.768115 -2.124340 0.549709 ESP Fit Center 2066 is at -5.687866 -2.540712 0.549709 ESP Fit Center 2067 is at -5.530268 -2.934372 0.549709 ESP Fit Center 2068 is at -5.301018 -3.291092 0.549709 ESP Fit Center 2069 is at -5.008400 -3.597980 0.549709 ESP Fit Center 2070 is at -4.662992 -3.843944 0.549709 ESP Fit Center 2071 is at -4.277277 -4.020095 0.549709 ESP Fit Center 2072 is at -3.865195 -4.120065 0.549709 ESP Fit Center 2073 is at -3.441641 -4.140241 0.549709 ESP Fit Center 2074 is at -3.021923 -4.079895 0.549709 ESP Fit Center 2075 is at -5.301018 -0.533553 0.136347 ESP Fit Center 2076 is at -5.530268 -0.890274 0.136347 ESP Fit Center 2077 is at -5.687866 -1.283934 0.136347 ESP Fit Center 2078 is at -5.768115 -1.700306 0.136347 ESP Fit Center 2079 is at -5.768115 -2.124340 0.136347 ESP Fit Center 2080 is at -5.687866 -2.540712 0.136347 ESP Fit Center 2081 is at -5.530268 -2.934372 0.136347 ESP Fit Center 2082 is at -5.301018 -3.291092 0.136347 ESP Fit Center 2083 is at -5.008400 -3.597980 0.136347 ESP Fit Center 2084 is at -4.662992 -3.843944 0.136347 ESP Fit Center 2085 is at -4.277277 -4.020095 0.136347 ESP Fit Center 2086 is at -3.865195 -4.120065 0.136347 ESP Fit Center 2087 is at -3.441641 -4.140241 0.136347 ESP Fit Center 2088 is at -5.071224 -0.388869 -0.269977 ESP Fit Center 2089 is at -5.339162 -0.715353 -0.269977 ESP Fit Center 2090 is at -5.538258 -1.087835 -0.269977 ESP Fit Center 2091 is at -5.660861 -1.492003 -0.269977 ESP Fit Center 2092 is at -5.702259 -1.912323 -0.269977 ESP Fit Center 2093 is at -5.660861 -2.332643 -0.269977 ESP Fit Center 2094 is at -5.538258 -2.736810 -0.269977 ESP Fit Center 2095 is at -5.339162 -3.109293 -0.269977 ESP Fit Center 2096 is at -5.071224 -3.435777 -0.269977 ESP Fit Center 2097 is at -4.744740 -3.703715 -0.269977 ESP Fit Center 2098 is at -4.372257 -3.902812 -0.269977 ESP Fit Center 2099 is at -3.968090 -4.025414 -0.269977 ESP Fit Center 2100 is at -3.547770 -4.066812 -0.269977 ESP Fit Center 2101 is at -4.889488 -0.422194 -0.655426 ESP Fit Center 2102 is at -5.169983 -0.733716 -0.655426 ESP Fit Center 2103 is at -5.379580 -1.096748 -0.655426 ESP Fit Center 2104 is at -5.509118 -1.495425 -0.655426 ESP Fit Center 2105 is at -5.552936 -1.912323 -0.655426 ESP Fit Center 2106 is at -5.509118 -2.329220 -0.655426 ESP Fit Center 2107 is at -5.379580 -2.727897 -0.655426 ESP Fit Center 2108 is at -5.169983 -3.090930 -0.655426 ESP Fit Center 2109 is at -4.889488 -3.402451 -0.655426 ESP Fit Center 2110 is at -4.550353 -3.648847 -0.655426 ESP Fit Center 2111 is at -4.167400 -3.819349 -0.655426 ESP Fit Center 2112 is at -3.757367 -3.906504 -0.655426 ESP Fit Center 2113 is at -4.774467 -0.612100 -1.006874 ESP Fit Center 2114 is at -5.041253 -0.930043 -1.006874 ESP Fit Center 2115 is at -5.227525 -1.300942 -1.006874 ESP Fit Center 2116 is at -5.323242 -1.704800 -1.006874 ESP Fit Center 2117 is at -5.323242 -2.119846 -1.006874 ESP Fit Center 2118 is at -5.227525 -2.523704 -1.006874 ESP Fit Center 2119 is at -5.041253 -2.894602 -1.006874 ESP Fit Center 2120 is at -4.774467 -3.212546 -1.006874 ESP Fit Center 2121 is at -4.441549 -3.460394 -1.006874 ESP Fit Center 2122 is at -4.060447 -3.624785 -1.006874 ESP Fit Center 2123 is at -3.651707 -3.696857 -1.006874 ESP Fit Center 2124 is at -4.817287 -1.096454 -1.312352 ESP Fit Center 2125 is at -4.995720 -1.487166 -1.312352 ESP Fit Center 2126 is at -5.056848 -1.912323 -1.312352 ESP Fit Center 2127 is at -4.995720 -2.337479 -1.312352 ESP Fit Center 2128 is at -4.817287 -2.728192 -1.312352 ESP Fit Center 2129 is at -4.536006 -3.052808 -1.312352 ESP Fit Center 2130 is at -4.174664 -3.285029 -1.312352 ESP Fit Center 2131 is at -3.762534 -3.406041 -1.312352 ESP Fit Center 2132 is at -4.550353 -1.291550 -1.561459 ESP Fit Center 2133 is at -4.706900 -1.695644 -1.561459 ESP Fit Center 2134 is at -4.706900 -2.129002 -1.561459 ESP Fit Center 2135 is at -4.550353 -2.533096 -1.561459 ESP Fit Center 2136 is at -4.258401 -2.853351 -1.561459 ESP Fit Center 2137 is at -3.870475 -3.046515 -1.561459 ESP Fit Center 2138 is at -4.248541 -1.507732 -1.745710 ESP Fit Center 2139 is at -4.356951 -1.912323 -1.745710 ESP Fit Center 2140 is at -4.248541 -2.316913 -1.745710 ESP Fit Center 2141 is at -3.952360 -2.613094 -1.745710 ESP Fit Center 2142 is at -3.959369 -1.912323 -1.858832 ESP Fit Center 2143 is at -3.753569 -2.268778 -1.858832 ESP Fit Center 2144 is at -3.547770 -1.912323 -1.896972 ESP Fit Center 2145 is at -2.958032 -1.395914 2.611567 ESP Fit Center 2146 is at -2.541276 -1.395914 2.611567 ESP Fit Center 2147 is at -2.749654 -1.855841 2.503291 ESP Fit Center 2148 is at -2.339230 -1.745868 2.503291 ESP Fit Center 2149 is at -2.038778 -1.445417 2.503291 ESP Fit Center 2150 is at -1.549654 -1.034993 2.326489 ESP Fit Center 2151 is at -2.541276 -2.216762 2.326489 ESP Fit Center 2152 is at -2.149654 -2.074223 2.326489 ESP Fit Center 2153 is at -1.830400 -1.806338 2.326489 ESP Fit Center 2154 is at -1.622023 -1.445417 2.326489 ESP Fit Center 2155 is at -1.206963 -1.034993 2.086535 ESP Fit Center 2156 is at -2.039916 -2.404725 2.086535 ESP Fit Center 2157 is at -1.696686 -2.162446 2.086535 ESP Fit Center 2158 is at -1.431549 -1.836550 2.086535 ESP Fit Center 2159 is at -1.264171 -1.451206 2.086535 ESP Fit Center 2160 is at -2.021458 -2.723139 1.790719 ESP Fit Center 2161 is at -1.651774 -2.509702 1.790719 ESP Fit Center 2162 is at -1.341276 -2.216762 1.790719 ESP Fit Center 2163 is at -4.732795 -0.412778 -0.951972 ESP Fit Center 2164 is at -4.285704 -0.024717 -1.294662 ESP Fit Center 2165 is at -4.477285 -0.406186 -1.294662 ESP Fit Center 2166 is at -2.854931 0.504101 -1.590478 ESP Fit Center 2167 is at -3.266269 0.418624 -1.590478 ESP Fit Center 2168 is at -3.639293 0.225339 -1.590478 ESP Fit Center 2169 is at -3.946336 -0.061419 -1.590478 ESP Fit Center 2170 is at -4.164627 -0.420383 -1.590478 ESP Fit Center 2171 is at -4.277975 -0.824930 -1.590478 ESP Fit Center 2172 is at -2.958032 0.146777 -1.830433 ESP Fit Center 2173 is at -3.349654 0.004238 -1.830433 ESP Fit Center 2174 is at -3.668907 -0.263648 -1.830433 ESP Fit Center 2175 is at -3.877285 -0.624568 -1.830433 ESP Fit Center 2176 is at -3.949654 -1.034993 -1.830433 ESP Fit Center 2177 is at -3.877285 -1.445417 -1.830433 ESP Fit Center 2178 is at -3.160078 -0.324117 -2.007234 ESP Fit Center 2179 is at -3.460529 -0.624568 -2.007234 ESP Fit Center 2180 is at -3.570502 -1.034993 -2.007234 ESP Fit Center 2181 is at -3.460529 -1.445417 -2.007234 ESP Fit Center 2182 is at -3.166409 -1.034993 -2.115510 ESP Fit Center 2183 is at -2.978983 0.204049 3.202066 ESP Fit Center 2184 is at -2.562227 0.204049 3.165605 ESP Fit Center 2185 is at -2.770605 0.564970 3.165605 ESP Fit Center 2186 is at -3.187361 0.564970 3.165605 ESP Fit Center 2187 is at -3.395739 0.204049 3.165605 ESP Fit Center 2188 is at -3.187361 -0.156872 3.165605 ESP Fit Center 2189 is at -2.770605 -0.156872 3.165605 ESP Fit Center 2190 is at -2.158135 0.204049 3.057328 ESP Fit Center 2191 is at -2.268107 0.614473 3.057328 ESP Fit Center 2192 is at -2.568559 0.914924 3.057328 ESP Fit Center 2193 is at -2.978983 1.024897 3.057328 ESP Fit Center 2194 is at -3.389407 -0.506827 3.057328 ESP Fit Center 2195 is at -2.978983 -0.616799 3.057328 ESP Fit Center 2196 is at -2.568559 -0.506827 3.057328 ESP Fit Center 2197 is at -2.268107 -0.206375 3.057328 ESP Fit Center 2198 is at -1.778983 0.204049 2.880527 ESP Fit Center 2199 is at -3.578983 -0.835182 2.880527 ESP Fit Center 2200 is at -3.187361 -0.977720 2.880527 ESP Fit Center 2201 is at -2.770605 -0.977720 2.880527 ESP Fit Center 2202 is at -2.378983 -0.835182 2.880527 ESP Fit Center 2203 is at -2.059730 -0.567296 2.880527 ESP Fit Center 2204 is at -1.851352 -0.206375 2.880527 ESP Fit Center 2205 is at -3.868622 -1.056283 2.640573 ESP Fit Center 2206 is at -3.495599 -1.249568 2.640573 ESP Fit Center 2207 is at -3.084260 -1.335045 2.640573 ESP Fit Center 2208 is at 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Fit Center 2429 is at -0.099958 0.406424 2.078986 ESP Fit Center 2430 is at 0.108419 0.767345 2.078986 ESP Fit Center 2431 is at 0.298893 0.376212 1.839031 ESP Fit Center 2432 is at 0.466271 0.761556 1.839031 ESP Fit Center 2433 is at -2.555262 2.188045 -1.542165 ESP Fit Center 2434 is at -2.434185 1.792379 -1.837982 ESP Fit Center 2435 is at -2.547533 1.387832 -1.837982 ESP Fit Center 2436 is at -2.547533 0.967706 -1.837982 ESP Fit Center 2437 is at -2.219212 1.177769 -2.077936 ESP Fit Center 2438 is at -0.814081 -0.434398 1.889924 ESP Fit Center 2439 is at -2.333335 0.555329 -2.016305 ESP Fit Center 2440 is at -1.802386 0.900096 -2.312121 ESP Fit Center 2441 is at -2.020677 0.541133 -2.312121 ESP Fit Center 2442 is at -1.524957 0.697868 -2.552076 ESP Fit Center 2443 is at -1.733335 0.336947 -2.552076 ESP Fit Center 2444 is at -1.805704 -0.073477 -2.552076 ESP Fit Center 2445 is at -1.016128 0.637399 -2.728877 ESP Fit Center 2446 is at -1.316579 0.336947 -2.728877 ESP Fit Center 2447 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ESP Fit Center 2502 is at -2.843643 3.205940 -0.950198 ESP Fit Center 2503 is at -0.900152 4.691777 -1.314242 ESP Fit Center 2504 is at -1.327414 4.691777 -1.314242 ESP Fit Center 2505 is at -1.737369 4.571403 -1.314242 ESP Fit Center 2506 is at -2.096805 4.340408 -1.314242 ESP Fit Center 2507 is at -2.376603 4.017505 -1.314242 ESP Fit Center 2508 is at -2.554094 3.628853 -1.314242 ESP Fit Center 2509 is at -2.614900 3.205940 -1.314242 ESP Fit Center 2510 is at -2.554094 2.783026 -1.314242 ESP Fit Center 2511 is at 0.576438 2.711087 3.502804 ESP Fit Center 2512 is at 1.003678 2.711087 3.454666 ESP Fit Center 2513 is at 0.790058 3.081088 3.454666 ESP Fit Center 2514 is at 0.362818 3.081088 3.454666 ESP Fit Center 2515 is at 0.149198 2.711087 3.454666 ESP Fit Center 2516 is at 0.362818 2.341086 3.454666 ESP Fit Center 2517 is at 0.790058 2.341086 3.454666 ESP Fit Center 2518 is at 1.409495 2.711087 3.312664 ESP Fit Center 2519 is at 1.297886 3.127615 3.312664 ESP Fit Center 2520 is at 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Center 2539 is at -0.620663 2.711087 3.083920 ESP Fit Center 2540 is at -0.548469 2.301655 3.083920 ESP Fit Center 2541 is at -0.340594 1.941606 3.083920 ESP Fit Center 2542 is at -0.022112 1.674368 3.083920 ESP Fit Center 2543 is at 0.368564 1.532173 3.083920 ESP Fit Center 2544 is at 0.784312 1.532173 3.083920 ESP Fit Center 2545 is at 1.174988 1.674368 3.083920 ESP Fit Center 2546 is at 1.493470 1.941606 3.083920 ESP Fit Center 2547 is at 1.701344 2.301655 3.083920 ESP Fit Center 2548 is at 2.077554 2.711087 2.779904 ESP Fit Center 2549 is at 2.016749 3.134000 2.779904 ESP Fit Center 2550 is at 1.839257 3.522652 2.779904 ESP Fit Center 2551 is at 1.559460 3.845555 2.779904 ESP Fit Center 2552 is at 1.200024 4.076551 2.779904 ESP Fit Center 2553 is at 0.790069 4.196924 2.779904 ESP Fit Center 2554 is at 0.362807 4.196924 2.779904 ESP Fit Center 2555 is at -0.047148 4.076551 2.779904 ESP Fit Center 2556 is at -0.406584 3.845555 2.779904 ESP Fit Center 2557 is at -0.686382 3.522652 2.779904 ESP Fit Center 2558 is at -0.863873 3.134000 2.779904 ESP Fit Center 2559 is at -0.924679 2.711087 2.779904 ESP Fit Center 2560 is at -0.863873 2.288174 2.779904 ESP Fit Center 2561 is at -0.686382 1.899522 2.779904 ESP Fit Center 2562 is at -0.406584 1.576619 2.779904 ESP Fit Center 2563 is at -0.047148 1.345624 2.779904 ESP Fit Center 2564 is at 0.362807 1.225250 2.779904 ESP Fit Center 2565 is at 0.790069 1.225250 2.779904 ESP Fit Center 2566 is at 1.200024 1.345624 2.779904 ESP Fit Center 2567 is at 1.559460 1.576619 2.779904 ESP Fit Center 2568 is at 1.839257 1.899522 2.779904 ESP Fit Center 2569 is at 2.016749 2.288174 2.779904 ESP Fit Center 2570 is at 1.559110 4.134734 2.415861 ESP Fit Center 2571 is at 1.189855 4.328534 2.415861 ESP Fit Center 2572 is at 0.784949 4.428335 2.415861 ESP Fit Center 2573 is at 0.367926 4.428335 2.415861 ESP Fit Center 2574 is at -0.036979 4.328534 2.415861 ESP Fit Center 2575 is at -0.406235 4.134734 2.415861 ESP Fit Center 2576 is at -0.718381 3.858197 2.415861 ESP Fit Center 2577 is at -0.955277 3.514993 2.415861 ESP Fit Center 2578 is at -0.406235 1.287440 2.415861 ESP Fit Center 2579 is at -0.036979 1.093640 2.415861 ESP Fit Center 2580 is at 0.367926 0.993839 2.415861 ESP Fit Center 2581 is at 0.784949 0.993839 2.415861 ESP Fit Center 2582 is at 1.189855 1.093640 2.415861 ESP Fit Center 2583 is at 1.559110 1.287440 2.415861 ESP Fit Center 2584 is at 1.871257 1.563978 2.415861 ESP Fit Center 2585 is at 2.108153 1.907181 2.415861 ESP Fit Center 2586 is at -0.235732 4.397576 2.010044 ESP Fit Center 2587 is at -0.590649 4.174567 2.010044 ESP Fit Center 2588 is at -0.887042 3.878174 2.010044 ESP Fit Center 2589 is at 0.576438 0.839225 2.010044 ESP Fit Center 2590 is at 0.992966 0.886157 2.010044 ESP Fit Center 2591 is at 1.577010 4.528225 2.064979 ESP Fit Center 2592 is at 1.160482 4.639833 2.064979 ESP Fit Center 2593 is at 2.285388 4.216209 1.836235 ESP Fit Center 2594 is at 2.077514 4.576258 1.836235 ESP Fit Center 2595 is at 1.759032 4.843496 1.836235 ESP Fit Center 2596 is at 1.368356 4.985690 1.836235 ESP Fit Center 2597 is at 0.952607 4.985690 1.836235 ESP Fit Center 2598 is at 0.561931 4.843496 1.836235 ESP Fit Center 2599 is at 2.600792 4.229690 1.532219 ESP Fit Center 2600 is at 2.423301 4.618341 1.532219 ESP Fit Center 2601 is at 2.143504 4.941244 1.532219 ESP Fit Center 2602 is at 1.784068 5.172240 1.532219 ESP Fit Center 2603 is at 1.374113 5.292614 1.532219 ESP Fit Center 2604 is at 0.946851 5.292614 1.532219 ESP Fit Center 2605 is at 0.536895 5.172240 1.532219 ESP Fit Center 2606 is at 0.177459 4.941244 1.532219 ESP Fit Center 2607 is at 2.840075 4.220759 1.168175 ESP Fit Center 2608 is at 2.692197 4.610682 1.168175 ESP Fit Center 2609 is at 2.455301 4.953886 1.168175 ESP Fit Center 2610 is at 2.143154 5.230423 1.168175 ESP Fit Center 2611 is at 1.773899 5.424224 1.168175 ESP Fit Center 2612 is at 1.368993 5.524024 1.168175 ESP Fit Center 2613 is at 0.951970 5.524024 1.168175 ESP Fit Center 2614 is at 0.547065 5.424224 1.168175 ESP Fit Center 2615 is at 0.177809 5.230423 1.168175 ESP Fit Center 2616 is at -0.134337 4.953886 1.168175 ESP Fit Center 2617 is at 3.032343 3.806776 0.762359 ESP Fit Center 2618 is at 2.985412 4.223305 0.762359 ESP Fit Center 2619 is at 2.846971 4.618947 0.762359 ESP Fit Center 2620 is at 2.623962 4.973863 0.762359 ESP Fit Center 2621 is at 2.327568 5.270257 0.762359 ESP Fit Center 2622 is at 1.972652 5.493265 0.762359 ESP Fit Center 2623 is at 1.577010 5.631706 0.762359 ESP Fit Center 2624 is at 1.160482 5.678638 0.762359 ESP Fit Center 2625 is at 0.743953 5.631706 0.762359 ESP Fit Center 2626 is at 0.348311 5.493265 0.762359 ESP Fit Center 2627 is at -0.006605 5.270257 0.762359 ESP Fit Center 2628 is at -0.302999 4.973863 0.762359 ESP Fit Center 2629 is at 3.080482 3.806776 0.335118 ESP Fit Center 2630 is at 3.035593 4.219520 0.335118 ESP Fit Center 2631 is at 2.903027 4.612963 0.335118 ESP Fit Center 2632 is at 2.688980 4.968711 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2688 is at -4.265514 0.323479 3.168663 ESP Fit Center 2689 is at -4.051894 -0.046522 3.168663 ESP Fit Center 2690 is at -3.624654 -0.046522 3.168663 ESP Fit Center 2691 is at -3.421746 1.044927 3.026662 ESP Fit Center 2692 is at -3.838274 1.156536 3.026662 ESP Fit Center 2693 is at -4.254802 1.044927 3.026662 ESP Fit Center 2694 is at -4.559722 0.740008 3.026662 ESP Fit Center 2695 is at -4.671331 0.323479 3.026662 ESP Fit Center 2696 is at -4.559722 -0.093049 3.026662 ESP Fit Center 2697 is at -4.254802 -0.397969 3.026662 ESP Fit Center 2698 is at -3.838274 -0.509578 3.026662 ESP Fit Center 2699 is at -4.046148 1.502393 2.797918 ESP Fit Center 2700 is at -4.436824 1.360199 2.797918 ESP Fit Center 2701 is at -4.755306 1.092960 2.797918 ESP Fit Center 2702 is at -4.963180 0.732912 2.797918 ESP Fit Center 2703 is at -5.035374 0.323479 2.797918 ESP Fit Center 2704 is at -4.963180 -0.085953 2.797918 ESP Fit Center 2705 is at -4.755306 -0.446002 2.797918 ESP Fit Center 2706 is at -4.436824 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ESP Fit Center 2725 is at -5.133093 -0.823630 2.129858 ESP Fit Center 2726 is at -4.820947 -1.100168 2.129858 ESP Fit Center 2727 is at -5.005361 1.786959 1.724042 ESP Fit Center 2728 is at -5.301754 1.490566 1.724042 ESP Fit Center 2729 is at -5.524763 1.135649 1.724042 ESP Fit Center 2730 is at -5.663204 0.740008 1.724042 ESP Fit Center 2731 is at -5.710136 0.323479 1.724042 ESP Fit Center 2732 is at -5.663204 -0.093049 1.724042 ESP Fit Center 2733 is at -5.524763 -0.488691 1.724042 ESP Fit Center 2734 is at -5.301754 -0.843607 1.724042 ESP Fit Center 2735 is at -4.915753 1.912642 1.296802 ESP Fit Center 2736 is at -5.232185 1.643862 1.296802 ESP Fit Center 2737 is at -5.483440 1.313343 1.296802 ESP Fit Center 2738 is at -5.657768 0.936538 1.296802 ESP Fit Center 2739 is at -5.747019 0.531068 1.296802 ESP Fit Center 2740 is at -5.747019 0.115891 1.296802 ESP Fit Center 2741 is at -5.657768 -0.289580 1.296802 ESP Fit Center 2742 is at -5.483440 -0.666384 1.296802 ESP Fit Center 2743 is at -5.005361 1.786959 0.869561 ESP Fit Center 2744 is at -5.301754 1.490566 0.869561 ESP Fit Center 2745 is at -5.524763 1.135649 0.869561 ESP Fit Center 2746 is at -5.663204 0.740008 0.869561 ESP Fit Center 2747 is at -5.710136 0.323479 0.869561 ESP Fit Center 2748 is at -5.663204 -0.093049 0.869561 ESP Fit Center 2749 is at -5.524763 -0.488691 0.869561 ESP Fit Center 2750 is at -4.820947 1.747126 0.463745 ESP Fit Center 2751 is at -5.133093 1.470589 0.463745 ESP Fit Center 2752 is at -5.369989 1.127385 0.463745 ESP Fit Center 2753 is at -5.517868 0.737462 0.463745 ESP Fit Center 2754 is at -5.568134 0.323479 0.463745 ESP Fit Center 2755 is at -5.517868 -0.090503 0.463745 ESP Fit Center 2756 is at -5.369989 -0.480427 0.463745 ESP Fit Center 2757 is at -5.101094 1.135044 0.099701 ESP Fit Center 2758 is at -5.278585 0.746393 0.099701 ESP Fit Center 2759 is at -5.339390 0.323479 0.099701 ESP Fit Center 2760 is at -5.278585 -0.099434 0.099701 ESP Fit Center 2761 is at -0.614800 0.388409 -2.881536 ESP Fit Center 2762 is at -0.728148 -0.016137 -2.881536 ESP Fit Center 2763 is at -0.728148 -0.436263 -2.881536 ESP Fit Center 2764 is at 2.285656 -0.642413 -2.881536 ESP Fit Center 2765 is at 2.000173 -0.226200 -3.121490 ESP Fit Center 2766 is at -0.327458 0.184224 -3.121490 ESP Fit Center 2767 is at -0.399827 -0.226200 -3.121490 ESP Fit Center 2768 is at 1.621021 -0.226200 -3.298291 ESP Fit Center 2769 is at 0.089298 0.184224 -3.298291 ESP Fit Center 2770 is at -0.020675 -0.226200 -3.298291 ESP Fit Center 2771 is at 1.216929 -0.226200 -3.406568 ESP Fit Center 2772 is at 0.591795 0.134721 -3.406568 ESP Fit Center 2773 is at 0.383418 -0.226200 -3.406568 ESP Fit Center 2774 is at -1.045565 -2.707858 1.728692 ESP Fit Center 2775 is at -1.258316 -2.339363 1.695204 ESP Fit Center 2776 is at -1.471067 -2.707858 1.695204 ESP Fit Center 2777 is at -1.258316 -3.076354 1.695204 ESP Fit Center 2778 is at -0.832814 -3.076354 1.695204 ESP Fit Center 2779 is at -1.773482 -3.128121 1.595565 ESP Fit Center 2780 is at -1.465828 -3.435775 1.595565 ESP Fit Center 2781 is at -1.045565 -3.548384 1.595565 ESP Fit Center 2782 is at -0.625302 -3.435775 1.595565 ESP Fit Center 2783 is at -0.317648 -3.128121 1.595565 ESP Fit Center 2784 is at -1.991518 -3.501607 1.432229 ESP Fit Center 2785 is at -1.662992 -3.777273 1.432229 ESP Fit Center 2786 is at -1.259995 -3.923952 1.432229 ESP Fit Center 2787 is at -0.831135 -3.923952 1.432229 ESP Fit Center 2788 is at -0.428138 -3.777273 1.432229 ESP Fit Center 2789 is at -0.099612 -3.501607 1.432229 ESP Fit Center 2790 is at -2.176070 -3.838363 1.209218 ESP Fit Center 2791 is at -1.844953 -4.092439 1.209218 ESP Fit Center 2792 is at -1.459359 -4.252157 1.209218 ESP Fit Center 2793 is at -1.045565 -4.306634 1.209218 ESP Fit Center 2794 is at -0.631772 -4.252157 1.209218 ESP Fit Center 2795 is at -0.246177 -4.092439 1.209218 ESP Fit Center 2796 is at 0.084940 -3.838363 1.209218 ESP Fit Center 2797 is at 0.339015 -3.507246 1.209218 ESP Fit Center 2798 is at -2.549285 -3.907035 0.932022 ESP Fit Center 2799 is at -2.244742 -4.211579 0.932022 ESP Fit Center 2800 is at -1.880067 -4.440719 0.932022 ESP Fit Center 2801 is at -1.473546 -4.582967 0.932022 ESP Fit Center 2802 is at -1.045565 -4.631189 0.932022 ESP Fit Center 2803 is at -0.617584 -4.582967 0.932022 ESP Fit Center 2804 is at -0.211063 -4.440719 0.932022 ESP Fit Center 2805 is at 0.153612 -4.211579 0.932022 ESP Fit Center 2806 is at 0.458155 -3.907035 0.932022 ESP Fit Center 2807 is at -2.775296 -4.068133 0.607468 ESP Fit Center 2808 is at -2.486603 -4.370905 0.607468 ESP Fit Center 2809 is at -2.145828 -4.613570 0.607468 ESP Fit Center 2810 is at -1.765287 -4.787357 0.607468 ESP Fit Center 2811 is at -1.358733 -4.885986 0.607468 ESP Fit Center 2812 is at -0.940860 -4.905892 0.607468 ESP Fit Center 2813 is at -0.526771 -4.846355 0.607468 ESP Fit Center 2814 is at -0.131434 -4.709527 0.607468 ESP Fit Center 2815 is at 0.230865 -4.500354 0.607468 ESP Fit Center 2816 is at 0.547031 -4.226395 0.607468 ESP Fit Center 2817 is at -2.902103 -4.265678 0.243546 ESP Fit Center 2818 is at -2.603385 -4.564396 0.243546 ESP Fit Center 2819 is at -2.257334 -4.806703 0.243546 ESP Fit Center 2820 is at -1.874464 -4.985239 0.243546 ESP Fit Center 2821 is at -1.466408 -5.094577 0.243546 ESP Fit Center 2822 is at -1.045565 -5.131396 0.243546 ESP Fit Center 2823 is at -0.624722 -5.094577 0.243546 ESP Fit Center 2824 is at -0.216666 -4.985239 0.243546 ESP Fit Center 2825 is at 0.166204 -4.806703 0.243546 ESP Fit Center 2826 is at 0.512255 -4.564396 0.243546 ESP Fit Center 2827 is at 0.810972 -4.265678 0.243546 ESP Fit Center 2828 is at -3.086972 -4.296749 -0.150782 ESP Fit Center 2829 is at -2.797607 -4.611083 -0.150782 ESP Fit Center 2830 is at -2.460451 -4.873502 -0.150782 ESP Fit Center 2831 is at -2.084701 -5.076848 -0.150782 ESP Fit Center 2832 is at -1.680605 -5.215574 -0.150782 ESP Fit Center 2833 is at -1.259187 -5.285896 -0.150782 ESP Fit Center 2834 is at -0.831943 -5.285896 -0.150782 ESP Fit Center 2835 is at -0.410525 -5.215574 -0.150782 ESP Fit Center 2836 is at -0.006430 -5.076848 -0.150782 ESP Fit Center 2837 is at 0.369321 -4.873502 -0.150782 ESP Fit Center 2838 is at 0.706477 -4.611083 -0.150782 ESP Fit Center 2839 is at 0.995842 -4.296749 -0.150782 ESP Fit Center 2840 is at -3.218999 -4.286951 -0.565807 ESP Fit Center 2841 is at -2.945216 -4.607509 -0.565807 ESP Fit Center 2842 is at -2.624657 -4.881292 -0.565807 ESP Fit Center 2843 is at -2.265216 -5.101558 -0.565807 ESP Fit Center 2844 is at -1.875743 -5.262883 -0.565807 ESP Fit Center 2845 is at -1.465828 -5.361295 -0.565807 ESP Fit Center 2846 is at -1.045565 -5.394371 -0.565807 ESP Fit Center 2847 is at -0.625302 -5.361295 -0.565807 ESP Fit Center 2848 is at -0.215387 -5.262883 -0.565807 ESP Fit Center 2849 is at 0.174086 -5.101558 -0.565807 ESP Fit Center 2850 is at 0.533527 -4.881292 -0.565807 ESP Fit Center 2851 is at 0.854086 -4.607509 -0.565807 ESP Fit Center 2852 is at 1.127869 -4.286951 -0.565807 ESP Fit Center 2853 is at -3.568372 -3.724641 -0.991308 ESP Fit Center 2854 is at -3.383594 -4.097829 -0.991308 ESP Fit Center 2855 is at -3.144016 -4.438438 -0.991308 ESP Fit Center 2856 is at -2.855251 -4.738483 -0.991308 ESP Fit Center 2857 is at -2.524069 -4.990932 -0.991308 ESP Fit Center 2858 is at -2.158232 -5.189868 -0.991308 ESP Fit Center 2859 is at -1.766315 -5.330628 -0.991308 ESP Fit Center 2860 is at -1.357504 -5.409912 -0.991308 ESP Fit Center 2861 is at -0.941382 -5.425862 -0.991308 ESP Fit Center 2862 is at -0.527701 -5.378105 -0.991308 ESP Fit Center 2863 is at -0.126159 -5.267759 -0.991308 ESP Fit Center 2864 is at 0.253833 -5.097412 -0.991308 ESP Fit Center 2865 is at 0.603368 -4.871055 -0.991308 ESP Fit Center 2866 is at 0.914254 -4.593995 -0.991308 ESP Fit Center 2867 is at 1.179203 -4.272725 -0.991308 ESP Fit Center 2868 is at 1.392005 -3.914776 -0.991308 ESP Fit Center 2869 is at -3.600590 -3.538036 -1.416810 ESP Fit Center 2870 is at -3.439265 -3.927509 -1.416810 ESP Fit Center 2871 is at -3.218999 -4.286951 -1.416810 ESP Fit Center 2872 is at -2.945216 -4.607509 -1.416810 ESP Fit Center 2873 is at -2.624657 -4.881292 -1.416810 ESP Fit Center 2874 is at -2.265216 -5.101558 -1.416810 ESP Fit Center 2875 is at -1.875743 -5.262883 -1.416810 ESP Fit Center 2876 is at -1.465828 -5.361295 -1.416810 ESP Fit Center 2877 is at -1.045565 -5.394371 -1.416810 ESP Fit Center 2878 is at -0.625302 -5.361295 -1.416810 ESP Fit Center 2879 is at -0.215387 -5.262883 -1.416810 ESP Fit Center 2880 is at 0.174086 -5.101558 -1.416810 ESP Fit Center 2881 is at 0.533527 -4.881292 -1.416810 ESP Fit Center 2882 is at 0.854086 -4.607509 -1.416810 ESP Fit Center 2883 is at 1.127869 -4.286951 -1.416810 ESP Fit Center 2884 is at 1.348135 -3.927509 -1.416810 ESP Fit Center 2885 is at 1.509460 -3.538036 -1.416810 ESP Fit Center 2886 is at -3.632439 -2.707858 -1.831835 ESP Fit Center 2887 is at -3.597157 -3.133644 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2959 is at -2.244742 -4.211579 -2.914639 ESP Fit Center 2960 is at -1.880067 -4.440719 -2.914639 ESP Fit Center 2961 is at -1.473546 -4.582967 -2.914639 ESP Fit Center 2962 is at -1.045565 -4.631189 -2.914639 ESP Fit Center 2963 is at -0.617584 -4.582967 -2.914639 ESP Fit Center 2964 is at -0.211063 -4.440719 -2.914639 ESP Fit Center 2965 is at 0.153612 -4.211579 -2.914639 ESP Fit Center 2966 is at 0.458155 -3.907035 -2.914639 ESP Fit Center 2967 is at 0.687296 -3.542360 -2.914639 ESP Fit Center 2968 is at 0.829543 -3.135840 -2.914639 ESP Fit Center 2969 is at 0.553211 -2.707858 -3.191835 ESP Fit Center 2970 is at 0.498734 -2.294065 -3.191835 ESP Fit Center 2971 is at -0.631772 -1.163559 -3.191835 ESP Fit Center 2972 is at -1.045565 -1.109082 -3.191835 ESP Fit Center 2973 is at -1.459359 -1.163559 -3.191835 ESP Fit Center 2974 is at -1.844953 -1.323278 -3.191835 ESP Fit Center 2975 is at -2.176070 -1.577353 -3.191835 ESP Fit Center 2976 is at -2.430146 -1.908470 -3.191835 ESP Fit Center 2977 is at -2.589864 -2.294065 -3.191835 ESP Fit Center 2978 is at -2.644341 -2.707858 -3.191835 ESP Fit Center 2979 is at -2.589864 -3.121652 -3.191835 ESP Fit Center 2980 is at -2.430146 -3.507246 -3.191835 ESP Fit Center 2981 is at -2.176070 -3.838363 -3.191835 ESP Fit Center 2982 is at -1.844953 -4.092439 -3.191835 ESP Fit Center 2983 is at -1.459359 -4.252157 -3.191835 ESP Fit Center 2984 is at -1.045565 -4.306634 -3.191835 ESP Fit Center 2985 is at -0.631772 -4.252157 -3.191835 ESP Fit Center 2986 is at -0.246177 -4.092439 -3.191835 ESP Fit Center 2987 is at 0.084940 -3.838363 -3.191835 ESP Fit Center 2988 is at 0.339015 -3.507246 -3.191835 ESP Fit Center 2989 is at 0.498734 -3.121652 -3.191835 ESP Fit Center 2990 is at 0.189289 -2.707858 -3.414846 ESP Fit Center 2991 is at 0.114818 -2.285513 -3.414846 ESP Fit Center 2992 is at -0.099612 -1.914109 -3.414846 ESP Fit Center 2993 is at -0.428138 -1.638443 -3.414846 ESP Fit Center 2994 is at -0.831135 -1.491764 -3.414846 ESP Fit Center 2995 is at -1.259995 -1.491764 -3.414846 ESP Fit Center 2996 is at -1.662992 -1.638443 -3.414846 ESP Fit Center 2997 is at -1.991518 -1.914109 -3.414846 ESP Fit Center 2998 is at -2.205949 -2.285513 -3.414846 ESP Fit Center 2999 is at -2.280419 -2.707858 -3.414846 ESP Fit Center 3000 is at -2.205949 -3.130203 -3.414846 ESP Fit Center 3001 is at -1.991518 -3.501607 -3.414846 ESP Fit Center 3002 is at -1.662992 -3.777273 -3.414846 ESP Fit Center 3003 is at -1.259995 -3.923952 -3.414846 ESP Fit Center 3004 is at -0.831135 -3.923952 -3.414846 ESP Fit Center 3005 is at -0.428138 -3.777273 -3.414846 ESP Fit Center 3006 is at -0.099612 -3.501607 -3.414846 ESP Fit Center 3007 is at 0.114818 -3.130203 -3.414846 ESP Fit Center 3008 is at -0.205039 -2.707858 -3.578182 ESP Fit Center 3009 is at -0.317648 -2.287595 -3.578182 ESP Fit Center 3010 is at -0.625302 -1.979941 -3.578182 ESP Fit Center 3011 is at -1.045565 -1.867332 -3.578182 ESP Fit Center 3012 is at -1.465828 -1.979941 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1.841320 ESP Fit Center 3031 is at 2.601592 1.364876 1.841320 ESP Fit Center 3032 is at 2.809466 1.724925 1.841320 ESP Fit Center 3033 is at 3.185676 2.134358 1.537304 ESP Fit Center 3034 is at 3.124870 2.557271 1.537304 ESP Fit Center 3035 is at 3.124870 1.711444 1.537304 ESP Fit Center 3036 is at 3.414420 2.134358 1.173260 ESP Fit Center 3037 is at 3.364153 2.548340 1.173260 ESP Fit Center 3038 is at 3.216275 2.938264 1.173260 ESP Fit Center 3039 is at 3.509490 2.550886 0.767444 ESP Fit Center 3040 is at 3.371049 2.946528 0.767444 ESP Fit Center 3041 is at 3.427104 2.940545 0.340203 ESP Fit Center 3042 is at 3.213058 3.296292 0.340203 ESP Fit Center 3043 is at 3.371049 2.946528 -0.087037 ESP Fit Center 3044 is at 3.148040 3.301444 -0.087037 ESP Fit Center 3045 is at 2.979379 3.281467 -0.492853 ESP Fit Center 3046 is at -1.179408 4.518361 -1.773845 ESP Fit Center 3047 is at -1.575050 4.379919 -1.773845 ESP Fit Center 3048 is at -1.929966 4.156911 -1.773845 ESP Fit Center 3049 is at 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4.518361 -2.628326 ESP Fit Center 3068 is at -1.575050 4.379919 -2.628326 ESP Fit Center 3069 is at -1.929966 4.156911 -2.628326 ESP Fit Center 3070 is at -2.226360 3.860517 -2.628326 ESP Fit Center 3071 is at -2.449368 3.505601 -2.628326 ESP Fit Center 3072 is at -2.587809 3.109959 -2.628326 ESP Fit Center 3073 is at -2.634741 2.693430 -2.628326 ESP Fit Center 3074 is at -2.587809 2.276902 -2.628326 ESP Fit Center 3075 is at -2.449368 1.881260 -2.628326 ESP Fit Center 3076 is at -2.226360 1.526344 -2.628326 ESP Fit Center 3077 is at -1.929966 1.229950 -2.628326 ESP Fit Center 3078 is at -1.575050 1.006941 -2.628326 ESP Fit Center 3079 is at -1.179408 0.868500 -2.628326 ESP Fit Center 3080 is at -0.149462 4.310878 -3.034142 ESP Fit Center 3081 is at -0.554368 4.410678 -3.034142 ESP Fit Center 3082 is at -0.971391 4.410678 -3.034142 ESP Fit Center 3083 is at -1.376296 4.310878 -3.034142 ESP Fit Center 3084 is at -1.745552 4.117077 -3.034142 ESP Fit Center 3085 is at -2.057698 3.840540 -3.034142 ESP Fit Center 3086 is at -2.294595 3.497337 -3.034142 ESP Fit Center 3087 is at -2.442473 3.107413 -3.034142 ESP Fit Center 3088 is at -2.492740 2.693430 -3.034142 ESP Fit Center 3089 is at -2.442473 2.279448 -3.034142 ESP Fit Center 3090 is at -2.294595 1.889524 -3.034142 ESP Fit Center 3091 is at -2.057698 1.546321 -3.034142 ESP Fit Center 3092 is at -1.745552 1.269783 -3.034142 ESP Fit Center 3093 is at -1.376296 1.075983 -3.034142 ESP Fit Center 3094 is at -0.971391 0.976183 -3.034142 ESP Fit Center 3095 is at -0.139293 4.058894 -3.398186 ESP Fit Center 3096 is at -0.549248 4.179268 -3.398186 ESP Fit Center 3097 is at -0.976510 4.179268 -3.398186 ESP Fit Center 3098 is at -1.386466 4.058894 -3.398186 ESP Fit Center 3099 is at -1.745902 3.827899 -3.398186 ESP Fit Center 3100 is at -2.025699 3.504995 -3.398186 ESP Fit Center 3101 is at -2.203190 3.116344 -3.398186 ESP Fit Center 3102 is at -2.263996 2.693430 -3.398186 ESP Fit Center 3103 is at -2.203190 2.270517 -3.398186 ESP Fit Center 3104 is at -2.025699 1.881866 -3.398186 ESP Fit Center 3105 is at -1.745902 1.558962 -3.398186 ESP Fit Center 3106 is at -1.386466 1.327967 -3.398186 ESP Fit Center 3107 is at -0.976510 1.207593 -3.398186 ESP Fit Center 3108 is at -0.549248 1.207593 -3.398186 ESP Fit Center 3109 is at 0.154153 3.462912 -3.702202 ESP Fit Center 3110 is at -0.164329 3.730150 -3.702202 ESP Fit Center 3111 is at -0.555005 3.872344 -3.702202 ESP Fit Center 3112 is at -0.970754 3.872344 -3.702202 ESP Fit Center 3113 is at -1.361430 3.730150 -3.702202 ESP Fit Center 3114 is at -1.679911 3.462912 -3.702202 ESP Fit Center 3115 is at -1.887786 3.102863 -3.702202 ESP Fit Center 3116 is at -1.959980 2.693430 -3.702202 ESP Fit Center 3117 is at -1.887786 2.283998 -3.702202 ESP Fit Center 3118 is at -1.679911 1.923949 -3.702202 ESP Fit Center 3119 is at -1.361430 1.656711 -3.702202 ESP Fit Center 3120 is at -0.970754 1.514517 -3.702202 ESP Fit Center 3121 is at -0.555005 1.514517 -3.702202 ESP Fit Center 3122 is at 0.070177 2.693430 -3.930946 ESP Fit Center 3123 is at -0.041431 3.109959 -3.930946 ESP Fit Center 3124 is at -0.346351 3.414879 -3.930946 ESP Fit Center 3125 is at -0.762879 3.526487 -3.930946 ESP Fit Center 3126 is at -1.179408 3.414879 -3.930946 ESP Fit Center 3127 is at -1.484328 3.109959 -3.930946 ESP Fit Center 3128 is at -1.595936 2.693430 -3.930946 ESP Fit Center 3129 is at -1.484328 2.276902 -3.930946 ESP Fit Center 3130 is at -1.179408 1.971982 -3.930946 ESP Fit Center 3131 is at -0.762879 1.860374 -3.930946 ESP Fit Center 3132 is at -0.346351 1.971982 -3.930946 ESP Fit Center 3133 is at -0.041431 2.276902 -3.930946 ESP Fit Center 3134 is at -0.335639 2.693430 -4.072947 ESP Fit Center 3135 is at -0.549259 3.063431 -4.072947 ESP Fit Center 3136 is at -0.976499 3.063431 -4.072947 ESP Fit Center 3137 is at -1.190120 2.693430 -4.072947 ESP Fit Center 3138 is at -0.976499 2.323430 -4.072947 ESP Fit Center 3139 is at -0.549259 2.323430 -4.072947 ESP Fit Center 3140 is at -0.762879 2.693430 -4.121085 ESP Fit Center 3141 is at 1.695441 -2.761602 -1.724860 ESP Fit Center 3142 is at 2.039078 -2.528610 -1.724860 ESP Fit Center 3143 is at 2.324595 -2.227194 -1.724860 ESP Fit Center 3144 is at 1.608267 -2.751748 -2.152100 ESP Fit Center 3145 is at 1.963183 -2.528740 -2.152100 ESP Fit Center 3146 is at 2.259577 -2.232346 -2.152100 ESP Fit Center 3147 is at 2.482586 -1.877430 -2.152100 ESP Fit Center 3148 is at 2.621027 -1.481788 -2.152100 ESP Fit Center 3149 is at 2.525957 -1.065259 -2.557917 ESP Fit Center 3150 is at 1.409513 -2.682707 -2.557917 ESP Fit Center 3151 is at 1.778769 -2.488906 -2.557917 ESP Fit Center 3152 is at 2.090915 -2.212369 -2.557917 ESP Fit Center 3153 is at 2.327812 -1.869165 -2.557917 ESP Fit Center 3154 is at 2.475690 -1.479242 -2.557917 ESP Fit Center 3155 is at 2.297213 -1.065259 -2.921961 ESP Fit Center 3156 is at 2.236407 -0.642346 -2.921961 ESP Fit Center 3157 is at -0.644214 -0.642346 -2.921961 ESP Fit Center 3158 is at 1.009728 -2.551097 -2.921961 ESP Fit Center 3159 is at 1.419683 -2.430723 -2.921961 ESP Fit Center 3160 is at 1.779119 -2.199727 -2.921961 ESP Fit Center 3161 is at 2.058916 -1.876824 -2.921961 ESP Fit Center 3162 is at 2.236407 -1.488173 -2.921961 ESP Fit Center 3163 is at 1.993197 -1.065259 -3.225977 ESP Fit Center 3164 is at 1.921003 -0.655827 -3.225977 ESP Fit Center 3165 is at -0.328810 -0.655827 -3.225977 ESP Fit Center 3166 is at -0.401004 -1.065259 -3.225977 ESP Fit Center 3167 is at 0.588222 -2.244173 -3.225977 ESP Fit Center 3168 is at 1.003971 -2.244173 -3.225977 ESP Fit Center 3169 is at 1.394647 -2.101979 -3.225977 ESP Fit Center 3170 is at 1.713129 -1.834741 -3.225977 ESP Fit Center 3171 is at 1.921003 -1.474692 -3.225977 ESP Fit Center 3172 is at 1.629153 -1.065259 -3.454720 ESP Fit Center 3173 is at 1.517545 -0.648731 -3.454720 ESP Fit Center 3174 is at 1.212625 -0.343811 -3.454720 ESP Fit Center 3175 is at 0.796097 -0.232202 -3.454720 ESP Fit Center 3176 is at 0.379568 -0.343811 -3.454720 ESP Fit Center 3177 is at 0.074648 -0.648731 -3.454720 ESP Fit Center 3178 is at -0.036960 -1.065259 -3.454720 ESP Fit Center 3179 is at 0.074648 -1.481788 -3.454720 ESP Fit Center 3180 is at 0.379568 -1.786708 -3.454720 ESP Fit Center 3181 is at 0.796097 -1.898316 -3.454720 ESP Fit Center 3182 is at 1.212625 -1.786708 -3.454720 ESP Fit Center 3183 is at 1.517545 -1.481788 -3.454720 ESP Fit Center 3184 is at 1.223337 -1.065259 -3.596722 ESP Fit Center 3185 is at 1.009717 -0.695258 -3.596722 ESP Fit Center 3186 is at 0.582476 -0.695258 -3.596722 ESP Fit Center 3187 is at 0.368856 -1.065259 -3.596722 ESP Fit Center 3188 is at 0.582476 -1.435260 -3.596722 ESP Fit Center 3189 is at 1.009717 -1.435260 -3.596722 ESP Fit Center 3190 is at 0.796097 -1.065259 -3.644860 ESP Fit Center 3191 is at 1.636120 1.687682 -3.112650 ESP Fit Center 3192 is at -0.159530 0.650963 -3.112650 ESP Fit Center 3193 is at 1.870627 0.650963 -3.341394 ESP Fit Center 3194 is at 1.759019 1.067491 -3.341394 ESP Fit Center 3195 is at 1.454099 1.372411 -3.341394 ESP Fit Center 3196 is at 0.316122 1.067491 -3.341394 ESP Fit Center 3197 is at 0.204513 0.650963 -3.341394 ESP Fit Center 3198 is at 1.759019 0.234434 -3.341394 ESP Fit Center 3199 is at 1.464810 0.650963 -3.483396 ESP Fit Center 3200 is at 1.251190 1.020964 -3.483396 ESP Fit Center 3201 is at 0.823950 1.020964 -3.483396 ESP Fit Center 3202 is at 0.610330 0.650963 -3.483396 ESP Fit Center 3203 is at 0.823950 0.280962 -3.483396 ESP Fit Center 3204 is at 1.251190 0.280962 -3.483396 ESP Fit Center 3205 is at 1.037570 0.650963 -3.531534 ESP Fit Center 3206 is at 1.192543 0.638511 2.073669 ESP Fit Center 3207 is at 0.595861 0.572853 1.833715 ESP Fit Center 3208 is at 2.520739 -2.088866 -1.547482 ESP Fit Center 3209 is at 1.203281 -2.986524 2.753464 ESP Fit Center 3210 is at 1.192607 -3.294177 2.457648 ESP Fit Center 3211 is at 1.612997 -3.368303 2.457648 ESP Fit Center 3212 is at 0.804554 0.333145 2.114958 ESP Fit Center 3213 is at 0.804554 -3.398959 2.114958 ESP Fit Center 3214 is at 1.198925 -3.545018 2.114958 ESP Fit Center 3215 is at 1.614624 -3.608700 2.114958 ESP Fit Center 3216 is at 0.592265 -3.486022 1.735806 ESP Fit Center 3217 is at 0.982272 -3.664132 1.735806 ESP Fit Center 3218 is at 0.417830 -3.505453 1.331713 ESP Fit Center 3219 is at 3.163414 -1.692878 4.154218 ESP Fit Center 3220 is at 3.775885 -1.331957 4.045941 ESP Fit Center 3221 is at 2.544612 -2.042832 4.045941 ESP Fit Center 3222 is at 4.155037 -1.331957 3.869140 ESP Fit Center 3223 is at 1.827405 -1.742381 3.869140 ESP Fit Center 3224 is at 2.035783 -2.103302 3.869140 ESP Fit Center 3225 is at 4.497727 -1.331957 3.629186 ESP Fit Center 3226 is at 4.440520 -0.915744 3.629186 ESP Fit Center 3227 is at 1.540064 -1.946566 3.629186 ESP Fit Center 3228 is at 1.758354 -2.305530 3.629186 ESP Fit Center 3229 is at 4.793543 -1.331957 3.333369 ESP Fit Center 3230 is at 4.743986 -0.907968 3.333369 ESP Fit Center 3231 is at 4.597986 -0.506836 3.333369 ESP Fit Center 3232 is at 1.227405 -1.960763 3.333369 ESP Fit Center 3233 is at 1.418987 -2.342233 3.333369 ESP Fit Center 3234 is at 1.693377 -2.669238 3.333369 ESP Fit Center 3235 is at 5.033498 -1.331957 2.990679 ESP Fit Center 3236 is at 4.990951 -0.913566 2.990679 ESP Fit Center 3237 is at 4.990951 -1.750348 2.990679 ESP Fit Center 3238 is at 3.676897 -3.281038 0.590679 ESP Fit Center 3239 is at 5.093563 -1.150865 2.886849 ESP Fit Center 3240 is at 5.284036 -1.541998 2.646894 ESP Fit Center 3241 is at 5.451415 -1.156654 2.646894 ESP Fit Center 3242 is at 5.374309 -1.922211 2.351078 ESP Fit Center 3243 is at 5.608881 -1.565562 2.351078 ESP Fit Center 3244 is at 3.444960 1.271669 2.008388 ESP Fit Center 3245 is at 5.397922 -2.246895 2.008388 ESP Fit Center 3246 is at 5.671856 -1.927800 2.008388 ESP Fit Center 3247 is at 5.875950 -1.560095 2.008388 ESP Fit Center 3248 is at 5.863179 -1.959728 1.629236 ESP Fit Center 3249 is at 6.059645 -1.578638 1.629236 ESP Fit Center 3250 is at 6.291487 -1.162467 1.225143 ESP Fit Center 3251 is at 6.329470 -0.740441 0.391632 ESP Fit Center 3252 is at 6.180438 -0.313630 -0.012461 ESP Fit Center 3253 is at 6.001846 -0.322050 -0.391612 ESP Fit Center 3254 is at 5.875950 0.079212 -0.391612 ESP Fit Center 3255 is at 5.754881 -0.316452 -0.734303 ESP Fit Center 3256 is at 2.906583 1.156722 1.859298 ESP Fit Center 3257 is at 3.428830 1.485376 1.619343 ESP Fit Center 3258 is at 3.009684 1.514046 1.619343 ESP Fit Center 3259 is at 3.843156 1.663099 1.323527 ESP Fit Center 3260 is at 3.434214 1.785528 1.323527 ESP Fit Center 3261 is at 3.222270 -2.277755 -1.040012 ESP Fit Center 3262 is at 3.009688 -2.100841 -1.419163 ESP Fit Center 3263 is at 3.429697 -2.079540 -1.419163 ESP Fit Center 3264 is at 3.008061 -1.860444 -1.761854 ESP Fit Center 3265 is at 3.434214 -1.835623 -1.761854 ESP Fit Center 3266 is at 3.843156 -1.713194 -1.761854 ESP Fit Center 3267 is at 4.212840 -1.499756 -1.761854 ESP Fit Center 3268 is at 3.009684 -1.564141 -2.057670 ESP Fit Center 3269 is at 3.428830 -1.535471 -2.057670 ESP Fit Center 3270 is at 2.906583 -1.206817 -2.297624 ESP Fit Center 3271 is at 0.797890 -1.513120 3.399283 ESP Fit Center 3272 is at 1.011510 -1.143119 3.351144 ESP Fit Center 3273 is at 0.584269 -1.143119 3.351144 ESP Fit Center 3274 is at 0.370649 -1.513120 3.351144 ESP Fit Center 3275 is at 0.584269 -1.883121 3.351144 ESP Fit Center 3276 is at 1.011510 -1.883121 3.351144 ESP Fit Center 3277 is at 0.797890 -0.680064 3.209143 ESP Fit Center 3278 is at 0.381361 -0.791672 3.209143 ESP Fit Center 3279 is at 0.076441 -1.096592 3.209143 ESP Fit Center 3280 is at -0.035167 -1.513120 3.209143 ESP Fit Center 3281 is at 0.076441 -1.929649 3.209143 ESP Fit Center 3282 is at 0.381361 -2.234569 3.209143 ESP Fit Center 3283 is at 0.797890 -2.346177 3.209143 ESP Fit Center 3284 is at 1.214418 -2.234569 3.209143 ESP Fit Center 3285 is at 0.590015 -0.334207 2.980399 ESP Fit Center 3286 is at 0.199339 -0.476401 2.980399 ESP Fit Center 3287 is at -0.119143 -0.743639 2.980399 ESP Fit Center 3288 is at -0.327017 -1.103688 2.980399 ESP Fit Center 3289 is at -0.399211 -1.513120 2.980399 ESP Fit Center 3290 is at -0.327017 -1.922553 2.980399 ESP Fit Center 3291 is at -0.119143 -2.282602 2.980399 ESP Fit Center 3292 is at 0.199339 -2.549840 2.980399 ESP Fit Center 3293 is at 0.590015 -2.692034 2.980399 ESP Fit Center 3294 is at 1.005764 -2.692034 2.980399 ESP Fit Center 3295 is at 0.584258 -0.027283 2.676383 ESP Fit Center 3296 is at 0.174303 -0.147657 2.676383 ESP Fit Center 3297 is at -0.185133 -0.378652 2.676383 ESP Fit Center 3298 is at -0.464930 -0.701555 2.676383 ESP Fit Center 3299 is at -0.642421 -1.090207 2.676383 ESP Fit Center 3300 is at -0.703227 -1.513120 2.676383 ESP Fit Center 3301 is at -0.642421 -1.936034 2.676383 ESP Fit Center 3302 is at -0.464930 -2.324685 2.676383 ESP Fit Center 3303 is at -0.185133 -2.647588 2.676383 ESP Fit Center 3304 is at 0.174303 -2.878584 2.676383 ESP Fit Center 3305 is at 0.584258 -2.998958 2.676383 ESP Fit Center 3306 is at 0.589378 0.204127 2.312340 ESP Fit Center 3307 is at 0.184473 0.104327 2.312340 ESP Fit Center 3308 is at -0.184783 -0.089473 2.312340 ESP Fit Center 3309 is at -0.496929 -0.366011 2.312340 ESP Fit Center 3310 is at -0.733826 -0.709214 2.312340 ESP Fit Center 3311 is at -0.881704 -1.099138 2.312340 ESP Fit Center 3312 is at -0.931971 -1.513120 2.312340 ESP Fit Center 3313 is at -0.881704 -1.927103 2.312340 ESP Fit Center 3314 is at -0.733826 -2.317026 2.312340 ESP Fit Center 3315 is at -0.496929 -2.660230 2.312340 ESP Fit Center 3316 is at -0.184783 -2.936767 2.312340 ESP Fit Center 3317 is at 0.184473 -3.130568 2.312340 ESP Fit Center 3318 is at 0.589378 -3.230368 2.312340 ESP Fit Center 3319 is at 0.381361 0.311810 1.906523 ESP Fit Center 3320 is at -0.888599 -0.700950 1.906523 ESP Fit Center 3321 is at -1.027041 -1.929649 1.906523 ESP Fit Center 3322 is at -0.888599 -2.325291 1.906523 ESP Fit Center 3323 is at -0.665591 -2.680207 1.906523 ESP Fit Center 3324 is at -0.369197 -2.976601 1.906523 ESP Fit Center 3325 is at -0.014281 -3.199609 1.906523 ESP Fit Center 3326 is at 0.381361 -3.338050 1.906523 ESP Fit Center 3327 is at 0.087224 -3.296756 1.479283 ESP Fit Center 3328 is at 1.140256 -3.844326 1.576555 ESP Fit Center 3329 is at 1.550211 -3.964699 1.576555 ESP Fit Center 3330 is at 1.977474 -3.964699 1.576555 ESP Fit Center 3331 is at 2.387429 -3.844326 1.576555 ESP Fit Center 3332 is at 0.469023 -3.625972 1.212512 ESP Fit Center 3333 is at 0.781170 -3.902509 1.212512 ESP Fit Center 3334 is at 1.150425 -4.096310 1.212512 ESP Fit Center 3335 is at 1.555331 -4.196110 1.212512 ESP Fit Center 3336 is at 1.972354 -4.196110 1.212512 ESP Fit Center 3337 is at 2.377259 -4.096310 1.212512 ESP Fit Center 3338 is at 2.746515 -3.902509 1.212512 ESP Fit Center 3339 is at 0.596756 -3.942343 0.806695 ESP Fit Center 3340 is at 0.951672 -4.165351 0.806695 ESP Fit Center 3341 is at 1.347314 -4.303792 0.806695 ESP Fit Center 3342 is at 1.763842 -4.350724 0.806695 ESP Fit Center 3343 is at 2.180371 -4.303792 0.806695 ESP Fit Center 3344 is at 2.576013 -4.165351 0.806695 ESP Fit Center 3345 is at 2.930929 -3.942343 0.806695 ESP Fit Center 3346 is at 3.227323 -3.645949 0.806695 ESP Fit Center 3347 is at 1.053177 -4.262497 0.379455 ESP Fit Center 3348 is at 1.453221 -4.373569 0.379455 ESP Fit Center 3349 is at 1.867789 -4.396046 0.379455 ESP Fit Center 3350 is at 2.277497 -4.328878 0.379455 ESP Fit Center 3351 is at 2.663187 -4.175205 0.379455 ESP Fit Center 3352 is at 3.006824 -3.942213 0.379455 ESP Fit Center 3353 is at 3.292341 -3.640797 0.379455 ESP Fit Center 3354 is at 3.506387 -3.285049 0.379455 ESP Fit Center 3355 is at 1.347314 -4.303792 -0.047785 ESP Fit Center 3356 is at 1.763842 -4.350724 -0.047785 ESP Fit Center 3357 is at 2.180371 -4.303792 -0.047785 ESP Fit Center 3358 is at 2.576013 -4.165351 -0.047785 ESP Fit Center 3359 is at 2.930929 -3.942343 -0.047785 ESP Fit Center 3360 is at 3.227323 -3.645949 -0.047785 ESP Fit Center 3361 is at 3.450331 -3.291032 -0.047785 ESP Fit Center 3362 is at 1.555331 -4.196110 -0.453602 ESP Fit Center 3363 is at 1.972354 -4.196110 -0.453602 ESP Fit Center 3364 is at 2.377259 -4.096310 -0.453602 ESP Fit Center 3365 is at 2.746515 -3.902509 -0.453602 ESP Fit Center 3366 is at 3.058661 -3.625972 -0.453602 ESP Fit Center 3367 is at 3.295558 -3.282768 -0.453602 ESP Fit Center 3368 is at 3.264959 -2.478862 -0.817645 ESP Fit Center 3369 is at 1.550211 -3.964699 -0.817645 ESP Fit Center 3370 is at 1.977474 -3.964699 -0.817645 ESP Fit Center 3371 is at 2.387429 -3.844326 -0.817645 ESP Fit Center 3372 is at 2.746865 -3.613330 -0.817645 ESP Fit Center 3373 is at 3.026662 -3.290427 -0.817645 ESP Fit Center 3374 is at 3.204153 -2.901776 -0.817645 ESP Fit Center 3375 is at 2.960943 -2.478862 -1.121661 ESP Fit Center 3376 is at 1.555968 -3.657776 -1.121661 ESP Fit Center 3377 is at 1.971717 -3.657776 -1.121661 ESP Fit Center 3378 is at 2.362393 -3.515582 -1.121661 ESP Fit Center 3379 is at 2.680875 -3.248343 -1.121661 ESP Fit Center 3380 is at 2.888749 -2.888295 -1.121661 ESP Fit Center 3381 is at 2.596899 -2.478862 -1.350405 ESP Fit Center 3382 is at 1.763842 -3.311919 -1.350405 ESP Fit Center 3383 is at 2.180371 -3.200311 -1.350405 ESP Fit Center 3384 is at 2.485291 -2.895391 -1.350405 ESP Fit Center 3385 is at 2.191083 -2.478862 -1.492407 ESP Fit Center 3386 is at 1.977462 -2.848863 -1.492407 ESP Fit Center 3387 is at 2.731947 -0.622203 4.499886 ESP Fit Center 3388 is at 3.159187 -0.622203 4.451748 ESP Fit Center 3389 is at 2.945567 -0.252202 4.451748 ESP Fit Center 3390 is at 2.518327 -0.252202 4.451748 ESP Fit Center 3391 is at 2.304707 -0.622203 4.451748 ESP Fit Center 3392 is at 2.518327 -0.992204 4.451748 ESP Fit Center 3393 is at 2.945567 -0.992204 4.451748 ESP Fit Center 3394 is at 3.565004 -0.622203 4.309747 ESP Fit Center 3395 is at 3.453395 -0.205675 4.309747 ESP Fit Center 3396 is at 3.148475 0.099245 4.309747 ESP Fit Center 3397 is at 2.731947 0.210854 4.309747 ESP Fit Center 3398 is at 2.315418 0.099245 4.309747 ESP Fit Center 3399 is at 2.010498 -0.205675 4.309747 ESP Fit Center 3400 is at 1.898890 -0.622203 4.309747 ESP Fit Center 3401 is at 2.010498 -1.038731 4.309747 ESP Fit Center 3402 is at 2.315418 -1.343651 4.309747 ESP Fit Center 3403 is at 2.731947 -1.455260 4.309747 ESP Fit Center 3404 is at 3.148475 -1.343651 4.309747 ESP Fit Center 3405 is at 3.453395 -1.038731 4.309747 ESP Fit Center 3406 is at 3.929047 -0.622203 4.081003 ESP Fit Center 3407 is at 3.856853 -0.212771 4.081003 ESP Fit Center 3408 is at 3.648979 0.147278 4.081003 ESP Fit Center 3409 is at 3.330497 0.414516 4.081003 ESP Fit Center 3410 is at 2.939821 0.556711 4.081003 ESP Fit Center 3411 is at 2.524072 0.556711 4.081003 ESP Fit Center 3412 is at 2.133397 0.414516 4.081003 ESP Fit Center 3413 is at 1.814915 0.147278 4.081003 ESP Fit Center 3414 is at 1.607040 -0.212771 4.081003 ESP Fit Center 3415 is at 1.534846 -0.622203 4.081003 ESP Fit Center 3416 is at 1.607040 -1.031636 4.081003 ESP Fit Center 3417 is at 1.814915 -1.391684 4.081003 ESP Fit Center 3418 is at 2.133397 -1.658922 4.081003 ESP Fit Center 3419 is at 3.856853 -1.031636 4.081003 ESP Fit Center 3420 is at 4.233063 -0.622203 3.776987 ESP Fit Center 3421 is at 4.172257 -0.199290 3.776987 ESP Fit Center 3422 is at 3.994766 0.189362 3.776987 ESP Fit Center 3423 is at 3.714969 0.512265 3.776987 ESP Fit Center 3424 is at 3.355533 0.743260 3.776987 ESP Fit Center 3425 is at 2.945578 0.863634 3.776987 ESP Fit Center 3426 is at 2.518316 0.863634 3.776987 ESP Fit Center 3427 is at 2.108360 0.743260 3.776987 ESP Fit Center 3428 is at 1.748925 0.512265 3.776987 ESP Fit Center 3429 is at 1.469127 0.189362 3.776987 ESP Fit Center 3430 is at 1.291636 -0.199290 3.776987 ESP Fit Center 3431 is at 1.230830 -0.622203 3.776987 ESP Fit Center 3432 is at 1.291636 -1.045116 3.776987 ESP Fit Center 3433 is at 1.469127 -1.433768 3.776987 ESP Fit Center 3434 is at 4.411540 -0.208220 3.412943 ESP Fit Center 3435 is at 4.263662 0.181703 3.412943 ESP Fit Center 3436 is at 4.026766 0.524906 3.412943 ESP Fit Center 3437 is at 3.714619 0.801444 3.412943 ESP Fit Center 3438 is at 3.345364 0.995244 3.412943 ESP Fit Center 3439 is at 2.940458 1.095045 3.412943 ESP Fit Center 3440 is at 2.523435 1.095045 3.412943 ESP Fit Center 3441 is at 2.118530 0.995244 3.412943 ESP Fit Center 3442 is at 1.749274 0.801444 3.412943 ESP Fit Center 3443 is at 1.437128 0.524906 3.412943 ESP Fit Center 3444 is at 1.200232 0.181703 3.412943 ESP Fit Center 3445 is at 1.052353 -0.208220 3.412943 ESP Fit Center 3446 is at 1.002087 -0.622203 3.412943 ESP Fit Center 3447 is at 1.052353 -1.036186 3.412943 ESP Fit Center 3448 is at 4.195427 0.544884 3.007127 ESP Fit Center 3449 is at 3.899033 0.841277 3.007127 ESP Fit Center 3450 is at 3.544117 1.064286 3.007127 ESP Fit Center 3451 is at 3.148475 1.202727 3.007127 ESP Fit Center 3452 is at 2.731947 1.249659 3.007127 ESP Fit Center 3453 is at 2.315418 1.202727 3.007127 ESP Fit Center 3454 is at 1.919776 1.064286 3.007127 ESP Fit Center 3455 is at 1.564860 0.841277 3.007127 ESP Fit Center 3456 is at 1.268466 0.544884 3.007127 ESP Fit Center 3457 is at 1.045458 0.189967 3.007127 ESP Fit Center 3458 is at 0.907017 -0.205675 3.007127 ESP Fit Center 3459 is at 3.631291 1.074140 2.579886 ESP Fit Center 3460 is at 3.245601 1.227813 2.579886 ESP Fit Center 3461 is at 2.835893 1.294981 2.579886 ESP Fit Center 3462 is at 2.421325 1.272504 2.579886 ESP Fit Center 3463 is at 2.021282 1.161432 2.579886 ESP Fit Center 3464 is at 1.654468 0.966960 2.579886 ESP Fit Center 3465 is at 1.338035 0.698180 2.579886 ESP Fit Center 3466 is at 1.086781 0.367660 2.579886 ESP Fit Center 3467 is at 3.148475 1.202727 2.152646 ESP Fit Center 3468 is at 2.731947 1.249659 2.152646 ESP Fit Center 3469 is at 2.315418 1.202727 2.152646 ESP Fit Center 3470 is at 1.919776 1.064286 2.152646 ESP Fit Center 3471 is at 1.564860 0.841277 2.152646 ESP Fit Center 3472 is at 1.268466 0.544884 2.152646 ESP Fit Center 3473 is at 3.287871 -2.253805 4.170543 ESP Fit Center 3474 is at 3.715111 -2.253805 4.122404 ESP Fit Center 3475 is at 3.501491 -1.883804 4.122404 ESP Fit Center 3476 is at 2.860630 -2.253805 4.122404 ESP Fit Center 3477 is at 3.074250 -2.623806 4.122404 ESP Fit Center 3478 is at 3.501491 -2.623806 4.122404 ESP Fit Center 3479 is at 4.120927 -2.253805 3.980403 ESP Fit Center 3480 is at 4.009319 -1.837277 3.980403 ESP Fit Center 3481 is at 2.454814 -2.253805 3.980403 ESP Fit Center 3482 is at 2.566422 -2.670333 3.980403 ESP Fit Center 3483 is at 2.871342 -2.975253 3.980403 ESP Fit Center 3484 is at 3.287871 -3.086862 3.980403 ESP Fit Center 3485 is at 3.704399 -2.975253 3.980403 ESP Fit Center 3486 is at 4.009319 -2.670333 3.980403 ESP Fit Center 3487 is at 4.484971 -2.253805 3.751659 ESP Fit Center 3488 is at 4.412777 -1.844373 3.751659 ESP Fit Center 3489 is at 2.162964 -2.663238 3.751659 ESP Fit Center 3490 is at 2.370838 -3.023286 3.751659 ESP Fit Center 3491 is at 2.689320 -3.290524 3.751659 ESP Fit Center 3492 is at 3.079996 -3.432719 3.751659 ESP Fit Center 3493 is at 3.495745 -3.432719 3.751659 ESP Fit Center 3494 is at 3.886421 -3.290524 3.751659 ESP Fit Center 3495 is at 4.204903 -3.023286 3.751659 ESP Fit Center 3496 is at 4.412777 -2.663238 3.751659 ESP Fit Center 3497 is at 4.788987 -2.253805 3.447643 ESP Fit Center 3498 is at 4.728181 -1.830892 3.447643 ESP Fit Center 3499 is at 1.847560 -2.676718 3.447643 ESP Fit Center 3500 is at 2.025051 -3.065370 3.447643 ESP Fit Center 3501 is at 2.304848 -3.388273 3.447643 ESP Fit Center 3502 is at 2.664284 -3.619269 3.447643 ESP Fit Center 3503 is at 3.074239 -3.739642 3.447643 ESP Fit Center 3504 is at 3.501502 -3.739642 3.447643 ESP Fit Center 3505 is at 3.911457 -3.619269 3.447643 ESP Fit Center 3506 is at 4.270893 -3.388273 3.447643 ESP Fit Center 3507 is at 4.550690 -3.065370 3.447643 ESP Fit Center 3508 is at 4.728181 -2.676718 3.447643 ESP Fit Center 3509 is at 5.017731 -2.253805 3.083600 ESP Fit Center 3510 is at 4.967464 -1.839822 3.083600 ESP Fit Center 3511 is at 1.756155 -3.057711 3.083600 ESP Fit Center 3512 is at 1.993052 -3.400915 3.083600 ESP Fit Center 3513 is at 2.305198 -3.677452 3.083600 ESP Fit Center 3514 is at 2.674454 -3.871252 3.083600 ESP Fit Center 3515 is at 3.079359 -3.971053 3.083600 ESP Fit Center 3516 is at 3.496382 -3.971053 3.083600 ESP Fit Center 3517 is at 3.901287 -3.871252 3.083600 ESP Fit Center 3518 is at 4.270543 -3.677452 3.083600 ESP Fit Center 3519 is at 4.582689 -3.400915 3.083600 ESP Fit Center 3520 is at 4.819586 -3.057711 3.083600 ESP Fit Center 3521 is at 4.967464 -2.667788 3.083600 ESP Fit Center 3522 is at 5.159732 -2.253805 2.677783 ESP Fit Center 3523 is at 1.824390 -3.420892 2.677783 ESP Fit Center 3524 is at 2.120784 -3.717285 2.677783 ESP Fit Center 3525 is at 2.475700 -3.940294 2.677783 ESP Fit Center 3526 is at 2.871342 -4.078735 2.677783 ESP Fit Center 3527 is at 3.287871 -4.125667 2.677783 ESP Fit Center 3528 is at 3.704399 -4.078735 2.677783 ESP Fit Center 3529 is at 4.100041 -3.940294 2.677783 ESP Fit Center 3530 is at 4.454957 -3.717285 2.677783 ESP Fit Center 3531 is at 4.751351 -3.420892 2.677783 ESP Fit Center 3532 is at 4.974360 -3.065975 2.677783 ESP Fit Center 3533 is at 5.112801 -2.670333 2.677783 ESP Fit Center 3534 is at 5.207871 -2.253805 2.250543 ESP Fit Center 3535 is at 1.893959 -3.574188 2.250543 ESP Fit Center 3536 is at 2.210391 -3.842968 2.250543 ESP Fit Center 3537 is at 2.577205 -4.037440 2.250543 ESP Fit Center 3538 is at 2.977249 -4.148512 2.250543 ESP Fit Center 3539 is at 3.391817 -4.170989 2.250543 ESP Fit Center 3540 is at 3.801525 -4.103821 2.250543 ESP Fit Center 3541 is at 4.187215 -3.950148 2.250543 ESP Fit Center 3542 is at 4.530852 -3.717156 2.250543 ESP Fit Center 3543 is at 4.816369 -3.415740 2.250543 ESP Fit Center 3544 is at 5.030415 -3.059992 2.250543 ESP Fit Center 3545 is at 5.162982 -2.666548 2.250543 ESP Fit Center 3546 is at 2.475700 -3.940294 1.823303 ESP Fit Center 3547 is at 2.871342 -4.078735 1.823303 ESP Fit Center 3548 is at 3.287871 -4.125667 1.823303 ESP Fit Center 3549 is at 3.704399 -4.078735 1.823303 ESP Fit Center 3550 is at 4.100041 -3.940294 1.823303 ESP Fit Center 3551 is at 4.454957 -3.717285 1.823303 ESP Fit Center 3552 is at 4.751351 -3.420892 1.823303 ESP Fit Center 3553 is at 4.974360 -3.065975 1.823303 ESP Fit Center 3554 is at 5.112801 -2.670333 1.823303 ESP Fit Center 3555 is at 2.674454 -3.871252 1.417486 ESP Fit Center 3556 is at 3.079359 -3.971053 1.417486 ESP Fit Center 3557 is at 3.496382 -3.971053 1.417486 ESP Fit Center 3558 is at 3.901287 -3.871252 1.417486 ESP Fit Center 3559 is at 4.270543 -3.677452 1.417486 ESP Fit Center 3560 is at 4.582689 -3.400915 1.417486 ESP Fit Center 3561 is at 4.819586 -3.057711 1.417486 ESP Fit Center 3562 is at 3.074239 -3.739642 1.053442 ESP Fit Center 3563 is at 3.501502 -3.739642 1.053442 ESP Fit Center 3564 is at 3.911457 -3.619269 1.053442 ESP Fit Center 3565 is at 4.270893 -3.388273 1.053442 ESP Fit Center 3566 is at 3.495745 -3.432719 0.749426 ESP Fit Center 3567 is at 3.886421 -3.290524 0.749426 ESP Fit Center 3568 is at 4.683489 -0.063463 3.170047 ESP Fit Center 3569 is at 5.110729 -0.063463 3.121909 ESP Fit Center 3570 is at 4.897109 0.306538 3.121909 ESP Fit Center 3571 is at 4.469869 0.306538 3.121909 ESP Fit Center 3572 is at 4.897109 -0.433464 3.121909 ESP Fit Center 3573 is at 5.516546 -0.063463 2.979907 ESP Fit Center 3574 is at 5.404938 0.353065 2.979907 ESP Fit Center 3575 is at 5.100018 0.657985 2.979907 ESP Fit Center 3576 is at 4.683489 0.769594 2.979907 ESP Fit Center 3577 is at 4.266961 0.657985 2.979907 ESP Fit Center 3578 is at 5.100018 -0.784911 2.979907 ESP Fit Center 3579 is at 5.404938 -0.479992 2.979907 ESP Fit Center 3580 is at 5.880590 -0.063463 2.751164 ESP Fit Center 3581 is at 5.808396 0.345969 2.751164 ESP Fit Center 3582 is at 5.600521 0.706018 2.751164 ESP Fit Center 3583 is at 5.282039 0.973256 2.751164 ESP Fit Center 3584 is at 4.891364 1.115451 2.751164 ESP Fit Center 3585 is at 4.475615 1.115451 2.751164 ESP Fit Center 3586 is at 4.084939 0.973256 2.751164 ESP Fit Center 3587 is at 5.600521 -0.832944 2.751164 ESP Fit Center 3588 is at 5.808396 -0.472896 2.751164 ESP Fit Center 3589 is at 6.184606 -0.063463 2.447148 ESP Fit Center 3590 is at 6.123800 0.359450 2.447148 ESP Fit Center 3591 is at 5.946309 0.748102 2.447148 ESP Fit Center 3592 is at 5.666511 1.071005 2.447148 ESP Fit Center 3593 is at 5.307076 1.302000 2.447148 ESP Fit Center 3594 is at 4.897120 1.422374 2.447148 ESP Fit Center 3595 is at 4.469858 1.422374 2.447148 ESP Fit Center 3596 is at 4.059903 1.302000 2.447148 ESP Fit Center 3597 is at 3.700467 1.071005 2.447148 ESP Fit Center 3598 is at 5.666511 -1.197931 2.447148 ESP Fit Center 3599 is at 5.946309 -0.875028 2.447148 ESP Fit Center 3600 is at 6.123800 -0.486377 2.447148 ESP Fit Center 3601 is at 6.413349 -0.063463 2.083104 ESP Fit Center 3602 is at 6.363083 0.350520 2.083104 ESP Fit Center 3603 is at 6.215204 0.740443 2.083104 ESP Fit Center 3604 is at 5.978308 1.083646 2.083104 ESP Fit Center 3605 is at 5.666162 1.360184 2.083104 ESP Fit Center 3606 is at 5.296906 1.553984 2.083104 ESP Fit Center 3607 is at 4.892001 1.653784 2.083104 ESP Fit Center 3608 is at 4.474978 1.653784 2.083104 ESP Fit Center 3609 is at 4.070072 1.553984 2.083104 ESP Fit Center 3610 is at 3.700817 1.360184 2.083104 ESP Fit Center 3611 is at 5.978308 -1.210573 2.083104 ESP Fit Center 3612 is at 6.215204 -0.867369 2.083104 ESP Fit Center 3613 is at 6.363083 -0.477446 2.083104 ESP Fit Center 3614 is at 6.555351 -0.063463 1.677287 ESP Fit Center 3615 is at 6.508419 0.353065 1.677287 ESP Fit Center 3616 is at 6.369978 0.748707 1.677287 ESP Fit Center 3617 is at 6.146970 1.103623 1.677287 ESP Fit Center 3618 is at 5.850576 1.400017 1.677287 ESP Fit Center 3619 is at 5.495660 1.623026 1.677287 ESP Fit Center 3620 is at 5.100018 1.761467 1.677287 ESP Fit Center 3621 is at 4.683489 1.808398 1.677287 ESP Fit Center 3622 is at 4.266961 1.761467 1.677287 ESP Fit Center 3623 is at 3.871319 1.623026 1.677287 ESP Fit Center 3624 is at 6.369978 -0.875633 1.677287 ESP Fit Center 3625 is at 6.508419 -0.479992 1.677287 ESP Fit Center 3626 is at 6.603489 -0.063463 1.250047 ESP Fit Center 3627 is at 6.558601 0.349280 1.250047 ESP Fit Center 3628 is at 6.426034 0.742724 1.250047 ESP Fit Center 3629 is at 6.211988 1.098471 1.250047 ESP Fit Center 3630 is at 5.926471 1.399888 1.250047 ESP Fit Center 3631 is at 5.582833 1.632880 1.250047 ESP Fit Center 3632 is at 5.197144 1.786553 1.250047 ESP Fit Center 3633 is at 4.787436 1.853721 1.250047 ESP Fit Center 3634 is at 4.372868 1.831244 1.250047 ESP Fit Center 3635 is at 3.972824 1.720172 1.250047 ESP Fit Center 3636 is at 6.426034 -0.869650 1.250047 ESP Fit Center 3637 is at 6.558601 -0.476206 1.250047 ESP Fit Center 3638 is at 6.555351 -0.063463 0.822807 ESP Fit Center 3639 is at 6.508419 0.353065 0.822807 ESP Fit Center 3640 is at 6.369978 0.748707 0.822807 ESP Fit Center 3641 is at 6.146970 1.103623 0.822807 ESP Fit Center 3642 is at 5.850576 1.400017 0.822807 ESP Fit Center 3643 is at 5.495660 1.623026 0.822807 ESP Fit Center 3644 is at 5.100018 1.761467 0.822807 ESP Fit Center 3645 is at 4.683489 1.808398 0.822807 ESP Fit Center 3646 is at 6.369978 -0.875633 0.822807 ESP Fit Center 3647 is at 6.508419 -0.479992 0.822807 ESP Fit Center 3648 is at 6.413349 -0.063463 0.416990 ESP Fit Center 3649 is at 6.363083 0.350520 0.416990 ESP Fit Center 3650 is at 6.215204 0.740443 0.416990 ESP Fit Center 3651 is at 5.978308 1.083646 0.416990 ESP Fit Center 3652 is at 5.666162 1.360184 0.416990 ESP Fit Center 3653 is at 6.363083 -0.477446 0.416990 ESP Fit Center 3654 is at 6.184606 -0.063463 0.052947 ESP Fit Center 3655 is at 6.123800 0.359450 0.052947 ESP Fit Center 3656 is at 5.946309 0.748102 0.052947 ESP Fit Center 3657 is at 5.144677 -2.886025 1.493569 ESP Fit Center 3658 is at 5.504113 -2.655029 1.493569 ESP Fit Center 3659 is at 5.783910 -2.332126 1.493569 ESP Fit Center 3660 is at 5.961401 -1.943474 1.493569 ESP Fit Center 3661 is at 6.250951 -1.520561 1.129525 ESP Fit Center 3662 is at 4.729602 -3.237809 1.129525 ESP Fit Center 3663 is at 5.134507 -3.138009 1.129525 ESP Fit Center 3664 is at 5.503763 -2.944208 1.129525 ESP Fit Center 3665 is at 5.815909 -2.667671 1.129525 ESP Fit Center 3666 is at 6.052806 -2.324467 1.129525 ESP Fit Center 3667 is at 6.200684 -1.934544 1.129525 ESP Fit Center 3668 is at 6.392952 -1.520561 0.723709 ESP Fit Center 3669 is at 6.346021 -1.104033 0.723709 ESP Fit Center 3670 is at 4.104562 -3.345491 0.723709 ESP Fit Center 3671 is at 4.521091 -3.392423 0.723709 ESP Fit Center 3672 is at 4.937619 -3.345491 0.723709 ESP Fit Center 3673 is at 5.333261 -3.207050 0.723709 ESP Fit Center 3674 is at 5.688177 -2.984041 0.723709 ESP Fit Center 3675 is at 5.984571 -2.687648 0.723709 ESP Fit Center 3676 is at 6.207580 -2.332731 0.723709 ESP Fit Center 3677 is at 6.346021 -1.937090 0.723709 ESP Fit Center 3678 is at 6.441091 -1.520561 0.296468 ESP Fit Center 3679 is at 6.396202 -1.107818 0.296468 ESP Fit Center 3680 is at 3.810425 -3.304196 0.296468 ESP Fit Center 3681 is at 4.210469 -3.415268 0.296468 ESP Fit Center 3682 is at 4.625037 -3.437745 0.296468 ESP Fit Center 3683 is at 5.034745 -3.370577 0.296468 ESP Fit Center 3684 is at 5.420435 -3.216904 0.296468 ESP Fit Center 3685 is at 5.764072 -2.983912 0.296468 ESP Fit Center 3686 is at 6.049589 -2.682496 0.296468 ESP Fit Center 3687 is at 6.263635 -2.326748 0.296468 ESP Fit Center 3688 is at 6.396202 -1.933304 0.296468 ESP Fit Center 3689 is at 6.392952 -1.520561 -0.130772 ESP Fit Center 3690 is at 6.346021 -1.104033 -0.130772 ESP Fit Center 3691 is at 6.207580 -0.708391 -0.130772 ESP Fit Center 3692 is at 3.708920 -3.207050 -0.130772 ESP Fit Center 3693 is at 4.104562 -3.345491 -0.130772 ESP Fit Center 3694 is at 4.521091 -3.392423 -0.130772 ESP Fit Center 3695 is at 4.937619 -3.345491 -0.130772 ESP Fit Center 3696 is at 5.333261 -3.207050 -0.130772 ESP Fit Center 3697 is at 5.688177 -2.984041 -0.130772 ESP Fit Center 3698 is at 5.984571 -2.687648 -0.130772 ESP Fit Center 3699 is at 6.207580 -2.332731 -0.130772 ESP Fit Center 3700 is at 6.346021 -1.937090 -0.130772 ESP Fit Center 3701 is at 6.250951 -1.520561 -0.536588 ESP Fit Center 3702 is at 6.200684 -1.106578 -0.536588 ESP Fit Center 3703 is at 6.052806 -0.716655 -0.536588 ESP Fit Center 3704 is at 3.538418 -2.944208 -0.536588 ESP Fit Center 3705 is at 3.907674 -3.138009 -0.536588 ESP Fit Center 3706 is at 4.312579 -3.237809 -0.536588 ESP Fit Center 3707 is at 4.729602 -3.237809 -0.536588 ESP Fit Center 3708 is at 5.134507 -3.138009 -0.536588 ESP Fit Center 3709 is at 5.503763 -2.944208 -0.536588 ESP Fit Center 3710 is at 5.815909 -2.667671 -0.536588 ESP Fit Center 3711 is at 6.052806 -2.324467 -0.536588 ESP Fit Center 3712 is at 6.200684 -1.934544 -0.536588 ESP Fit Center 3713 is at 6.022207 -1.520561 -0.900632 ESP Fit Center 3714 is at 5.961401 -1.097648 -0.900632 ESP Fit Center 3715 is at 5.783910 -0.708996 -0.900632 ESP Fit Center 3716 is at 3.258271 -2.332126 -0.900632 ESP Fit Center 3717 is at 3.538068 -2.655029 -0.900632 ESP Fit Center 3718 is at 3.897504 -2.886025 -0.900632 ESP Fit Center 3719 is at 4.307459 -3.006398 -0.900632 ESP Fit Center 3720 is at 4.734722 -3.006398 -0.900632 ESP Fit Center 3721 is at 5.144677 -2.886025 -0.900632 ESP Fit Center 3722 is at 5.504113 -2.655029 -0.900632 ESP Fit Center 3723 is at 5.783910 -2.332126 -0.900632 ESP Fit Center 3724 is at 5.961401 -1.943474 -0.900632 ESP Fit Center 3725 is at 5.718191 -1.520561 -1.204648 ESP Fit Center 3726 is at 5.645997 -1.111129 -1.204648 ESP Fit Center 3727 is at 3.604058 -2.290042 -1.204648 ESP Fit Center 3728 is at 3.922540 -2.557280 -1.204648 ESP Fit Center 3729 is at 4.313216 -2.699475 -1.204648 ESP Fit Center 3730 is at 4.728965 -2.699475 -1.204648 ESP Fit Center 3731 is at 5.119641 -2.557280 -1.204648 ESP Fit Center 3732 is at 5.438123 -2.290042 -1.204648 ESP Fit Center 3733 is at 5.645997 -1.929994 -1.204648 ESP Fit Center 3734 is at 5.354147 -1.520561 -1.433392 ESP Fit Center 3735 is at 5.242539 -1.104033 -1.433392 ESP Fit Center 3736 is at 4.104562 -2.242009 -1.433392 ESP Fit Center 3737 is at 4.521091 -2.353618 -1.433392 ESP Fit Center 3738 is at 4.937619 -2.242009 -1.433392 ESP Fit Center 3739 is at 5.242539 -1.937090 -1.433392 ESP Fit Center 3740 is at 4.948331 -1.520561 -1.575393 ESP Fit Center 3741 is at 4.307470 -1.890562 -1.575393 ESP Fit Center 3742 is at 4.734711 -1.890562 -1.575393 ESP Fit Center 3743 is at 4.521091 -1.520561 -1.623532 ESP Fit Center 3744 is at 4.209451 1.793311 1.006375 ESP Fit Center 3745 is at 3.817829 1.935850 1.006375 ESP Fit Center 3746 is at 4.662419 1.881534 0.766420 ESP Fit Center 3747 is at 4.319189 2.123813 0.766420 ESP Fit Center 3748 is at 3.923320 2.264504 0.766420 ESP Fit Center 3749 is at 5.017829 1.935850 0.470604 ESP Fit Center 3750 is at 4.707331 2.228789 0.470604 ESP Fit Center 3751 is at 4.337646 2.442227 0.470604 ESP Fit Center 3752 is at 3.928704 2.564656 0.470604 ESP Fit Center 3753 is at 5.645365 1.172472 0.127914 ESP Fit Center 3754 is at 5.519469 1.573734 0.127914 ESP Fit Center 3755 is at 5.315376 1.941439 0.127914 ESP Fit Center 3756 is at 5.041442 2.260534 0.127914 ESP Fit Center 3757 is at 4.708882 2.517955 0.127914 ESP Fit Center 3758 is at 4.331311 2.703162 0.127914 ESP Fit Center 3759 is at 3.924187 2.808573 0.127914 ESP Fit Center 3760 is at 3.504178 2.829874 0.127914 ESP Fit Center 3761 is at 5.864713 0.754081 -0.251238 ESP Fit Center 3762 is at 5.823957 1.180892 -0.251238 ESP Fit Center 3763 is at 5.703164 1.592277 -0.251238 ESP Fit Center 3764 is at 5.506698 1.973367 -0.251238 ESP Fit Center 3765 is at 5.241661 2.310390 -0.251238 ESP Fit Center 3766 is at 4.917631 2.591163 -0.251238 ESP Fit Center 3767 is at 4.546321 2.805539 -0.251238 ESP Fit Center 3768 is at 4.141149 2.945771 -0.251238 ESP Fit Center 3769 is at 3.716760 3.006788 -0.251238 ESP Fit Center 3770 is at 5.972989 0.754081 -0.655331 ESP Fit Center 3771 is at 5.935006 1.176107 -0.655331 ESP Fit Center 3772 is at 5.822278 1.584569 -0.655331 ESP Fit Center 3773 is at 5.638428 1.966338 -0.655331 ESP Fit Center 3774 is at 5.389364 2.309144 -0.655331 ESP Fit Center 3775 is at 5.083093 2.601970 -0.655331 ESP Fit Center 3776 is at 4.729458 2.835402 -0.655331 ESP Fit Center 3777 is at 4.339824 3.001939 -0.655331 ESP Fit Center 3778 is at 3.926716 3.096229 -0.655331 ESP Fit Center 3779 is at 3.503411 3.115239 -0.655331 ESP Fit Center 3780 is at 3.083514 3.058360 -0.655331 ESP Fit Center 3781 is at 5.822278 -0.076407 -0.655331 ESP Fit Center 3782 is at 5.935006 0.332055 -0.655331 ESP Fit Center 3783 is at 6.009451 0.754081 -1.072086 ESP Fit Center 3784 is at 5.972989 1.170836 -1.072086 ESP Fit Center 3785 is at 5.864713 1.574929 -1.072086 ESP Fit Center 3786 is at 5.687912 1.954081 -1.072086 ESP Fit Center 3787 is at 5.447957 2.296771 -1.072086 ESP Fit Center 3788 is at 5.152141 2.592587 -1.072086 ESP Fit Center 3789 is at 4.809451 2.832542 -1.072086 ESP Fit Center 3790 is at 4.430299 3.009343 -1.072086 ESP Fit Center 3791 is at 4.026206 3.117619 -1.072086 ESP Fit Center 3792 is at 3.609451 3.154081 -1.072086 ESP Fit Center 3793 is at 3.192695 3.117619 -1.072086 ESP Fit Center 3794 is at 2.788602 3.009343 -1.072086 ESP Fit Center 3795 is at 5.687912 -0.445919 -1.072086 ESP Fit Center 3796 is at 5.864713 -0.066768 -1.072086 ESP Fit Center 3797 is at 5.972989 0.337325 -1.072086 ESP Fit Center 3798 is at 5.972989 0.754081 -1.488842 ESP Fit Center 3799 is at 5.935006 1.176107 -1.488842 ESP Fit Center 3800 is at 5.822278 1.584569 -1.488842 ESP Fit Center 3801 is at 5.638428 1.966338 -1.488842 ESP Fit Center 3802 is at 5.389364 2.309144 -1.488842 ESP Fit Center 3803 is at 5.083093 2.601970 -1.488842 ESP Fit Center 3804 is at 4.729458 2.835402 -1.488842 ESP Fit Center 3805 is at 4.339824 3.001939 -1.488842 ESP Fit Center 3806 is at 3.926716 3.096229 -1.488842 ESP Fit Center 3807 is at 3.503411 3.115239 -1.488842 ESP Fit Center 3808 is at 3.083514 3.058360 -1.488842 ESP Fit Center 3809 is at 5.389364 -0.800983 -1.488842 ESP Fit Center 3810 is at 5.638428 -0.458177 -1.488842 ESP Fit Center 3811 is at 5.822278 -0.076407 -1.488842 ESP Fit Center 3812 is at 5.935006 0.332055 -1.488842 ESP Fit Center 3813 is at 5.864713 0.754081 -1.892935 ESP Fit Center 3814 is at 5.823957 1.180892 -1.892935 ESP Fit Center 3815 is at 5.703164 1.592277 -1.892935 ESP Fit Center 3816 is at 5.506698 1.973367 -1.892935 ESP Fit Center 3817 is at 5.241661 2.310390 -1.892935 ESP Fit Center 3818 is at 4.917631 2.591163 -1.892935 ESP Fit Center 3819 is at 4.546321 2.805539 -1.892935 ESP Fit Center 3820 is at 4.141149 2.945771 -1.892935 ESP Fit Center 3821 is at 3.716760 3.006788 -1.892935 ESP Fit Center 3822 is at 4.141149 -1.437609 -1.892935 ESP Fit Center 3823 is at 4.546321 -1.297378 -1.892935 ESP Fit Center 3824 is at 4.917631 -1.083002 -1.892935 ESP Fit Center 3825 is at 5.241661 -0.802229 -1.892935 ESP Fit Center 3826 is at 5.506698 -0.465206 -1.892935 ESP Fit Center 3827 is at 5.703164 -0.084116 -1.892935 ESP Fit Center 3828 is at 5.823957 0.327269 -1.892935 ESP Fit Center 3829 is at 5.687912 0.754081 -2.272086 ESP Fit Center 3830 is at 5.645365 1.172472 -2.272086 ESP Fit Center 3831 is at 5.519469 1.573734 -2.272086 ESP Fit Center 3832 is at 5.315376 1.941439 -2.272086 ESP Fit Center 3833 is at 5.041442 2.260534 -2.272086 ESP Fit Center 3834 is at 4.708882 2.517955 -2.272086 ESP Fit Center 3835 is at 4.331311 2.703162 -2.272086 ESP Fit Center 3836 is at 3.924187 2.808573 -2.272086 ESP Fit Center 3837 is at 3.504178 -1.321713 -2.272086 ESP Fit Center 3838 is at 3.924187 -1.300412 -2.272086 ESP Fit Center 3839 is at 4.331311 -1.195001 -2.272086 ESP Fit Center 3840 is at 4.708882 -1.009793 -2.272086 ESP Fit Center 3841 is at 5.041442 -0.752373 -2.272086 ESP Fit Center 3842 is at 5.315376 -0.433278 -2.272086 ESP Fit Center 3843 is at 5.519469 -0.065573 -2.272086 ESP Fit Center 3844 is at 5.645365 0.335690 -2.272086 ESP Fit Center 3845 is at 5.447957 0.754081 -2.614777 ESP Fit Center 3846 is at 5.398400 1.178069 -2.614777 ESP Fit Center 3847 is at 5.252400 1.579201 -2.614777 ESP Fit Center 3848 is at 5.017829 1.935850 -2.614777 ESP Fit Center 3849 is at 4.707331 2.228789 -2.614777 ESP Fit Center 3850 is at 4.337646 2.442227 -2.614777 ESP Fit Center 3851 is at 3.928704 2.564656 -2.614777 ESP Fit Center 3852 is at 2.690197 -0.838113 -2.614777 ESP Fit Center 3853 is at 3.082161 -1.007189 -2.614777 ESP Fit Center 3854 is at 3.502551 -1.081316 -2.614777 ESP Fit Center 3855 is at 3.928704 -1.056495 -2.614777 ESP Fit Center 3856 is at 4.337646 -0.934066 -2.614777 ESP Fit Center 3857 is at 4.707331 -0.720628 -2.614777 ESP Fit Center 3858 is at 5.017829 -0.427689 -2.614777 ESP Fit Center 3859 is at 5.252400 -0.071040 -2.614777 ESP Fit Center 3860 is at 5.398400 0.330092 -2.614777 ESP Fit Center 3861 is at 5.152141 0.754081 -2.910593 ESP Fit Center 3862 is at 5.094934 1.170293 -2.910593 ESP Fit Center 3863 is at 4.927555 1.555638 -2.910593 ESP Fit Center 3864 is at 4.662419 1.881534 -2.910593 ESP Fit Center 3865 is at 4.319189 2.123813 -2.910593 ESP Fit Center 3866 is at 2.719812 -0.506251 -2.910593 ESP Fit Center 3867 is at 3.092835 -0.699536 -2.910593 ESP Fit Center 3868 is at 3.504174 -0.785013 -2.910593 ESP Fit Center 3869 is at 3.923320 -0.756343 -2.910593 ESP Fit Center 3870 is at 4.319189 -0.615651 -2.910593 ESP Fit Center 3871 is at 4.662419 -0.373373 -2.910593 ESP Fit Center 3872 is at 4.927555 -0.047476 -2.910593 ESP Fit Center 3873 is at 5.094934 0.337868 -2.910593 ESP Fit Center 3874 is at 4.809451 0.754081 -3.150547 ESP Fit Center 3875 is at 4.737082 1.164505 -3.150547 ESP Fit Center 3876 is at 4.528704 1.525426 -3.150547 ESP Fit Center 3877 is at 4.209451 1.793311 -3.150547 ESP Fit Center 3878 is at 3.009451 -0.285150 -3.150547 ESP Fit Center 3879 is at 3.401073 -0.427689 -3.150547 ESP Fit Center 3880 is at 3.817829 -0.427689 -3.150547 ESP Fit Center 3881 is at 4.209451 -0.285150 -3.150547 ESP Fit Center 3882 is at 4.528704 -0.017264 -3.150547 ESP Fit Center 3883 is at 4.737082 0.343656 -3.150547 ESP Fit Center 3884 is at 4.430299 0.754081 -3.327349 ESP Fit Center 3885 is at 4.320326 1.164505 -3.327349 ESP Fit Center 3886 is at 4.019875 1.464956 -3.327349 ESP Fit Center 3887 is at 3.199027 0.043205 -3.327349 ESP Fit Center 3888 is at 3.609451 -0.066768 -3.327349 ESP Fit Center 3889 is at 4.019875 0.043205 -3.327349 ESP Fit Center 3890 is at 4.320326 0.343656 -3.327349 ESP Fit Center 3891 is at 4.026206 0.754081 -3.435625 ESP Fit Center 3892 is at 3.817829 1.115002 -3.435625 ESP Fit Center 3893 is at 3.401073 0.393160 -3.435625 ESP Fit Center 3894 is at 3.817829 0.393160 -3.435625 ESP Fit Center 3895 is at 2.526243 2.965851 -1.286477 ESP Fit Center 3896 is at 3.046718 3.058105 -1.713717 ESP Fit Center 3897 is at 2.632150 3.035627 -1.713717 ESP Fit Center 3898 is at 2.232106 2.924556 -1.713717 ESP Fit Center 3899 is at 3.359300 2.965851 -2.140957 ESP Fit Center 3900 is at 2.942772 3.012782 -2.140957 ESP Fit Center 3901 is at 2.526243 2.965851 -2.140957 ESP Fit Center 3902 is at 3.556189 2.758368 -2.546774 ESP Fit Center 3903 is at 3.151283 2.858168 -2.546774 ESP Fit Center 3904 is at 2.734260 2.858168 -2.546774 ESP Fit Center 3905 is at 2.329355 2.758368 -2.546774 ESP Fit Center 3906 is at 3.925794 2.275389 -2.910817 ESP Fit Center 3907 is at 3.566358 2.506384 -2.910817 ESP Fit Center 3908 is at 3.156403 2.626758 -2.910817 ESP Fit Center 3909 is at 2.729141 2.626758 -2.910817 ESP Fit Center 3910 is at 2.319185 2.506384 -2.910817 ESP Fit Center 3911 is at 1.959750 2.275389 -2.910817 ESP Fit Center 3912 is at 2.319185 -0.224543 -2.910817 ESP Fit Center 3913 is at 3.859804 1.910402 -3.214833 ESP Fit Center 3914 is at 3.541322 2.177640 -3.214833 ESP Fit Center 3915 is at 3.150646 2.319834 -3.214833 ESP Fit Center 3916 is at 2.734897 2.319834 -3.214833 ESP Fit Center 3917 is at 2.344222 2.177640 -3.214833 ESP Fit Center 3918 is at 2.025740 1.910402 -3.214833 ESP Fit Center 3919 is at 1.817865 1.550353 -3.214833 ESP Fit Center 3920 is at 2.344222 0.104201 -3.214833 ESP Fit Center 3921 is at 2.734897 -0.037993 -3.214833 ESP Fit Center 3922 is at 3.775829 1.140921 -3.443577 ESP Fit Center 3923 is at 3.664220 1.557449 -3.443577 ESP Fit Center 3924 is at 3.359300 1.862369 -3.443577 ESP Fit Center 3925 is at 2.942772 1.973977 -3.443577 ESP Fit Center 3926 is at 2.526243 1.862369 -3.443577 ESP Fit Center 3927 is at 2.221323 1.557449 -3.443577 ESP Fit Center 3928 is at 2.109715 1.140921 -3.443577 ESP Fit Center 3929 is at 2.221323 0.724392 -3.443577 ESP Fit Center 3930 is at 2.526243 0.419472 -3.443577 ESP Fit Center 3931 is at 2.942772 0.307864 -3.443577 ESP Fit Center 3932 is at 3.359300 0.419472 -3.443577 ESP Fit Center 3933 is at 3.370012 1.140921 -3.585579 ESP Fit Center 3934 is at 3.156392 1.510921 -3.585579 ESP Fit Center 3935 is at 2.729152 1.510921 -3.585579 ESP Fit Center 3936 is at 2.515532 1.140921 -3.585579 ESP Fit Center 3937 is at 2.729152 0.770920 -3.585579 ESP Fit Center 3938 is at 3.156392 0.770920 -3.585579 ESP Fit Center 3939 is at 2.942772 1.140921 -3.633717 ESP Fit Center 3940 is at -0.352924 5.144318 -0.747255 ESP Fit Center 3941 is at -0.140872 5.036642 -1.159228 ESP Fit Center 3942 is at -0.564975 5.036642 -1.159228 ESP Fit Center 3943 is at 2.438632 2.788176 2.722441 ESP Fit Center 3944 is at 2.384556 3.198927 2.722441 ESP Fit Center 3945 is at 2.226012 3.581686 2.722441 ESP Fit Center 3946 is at 1.973804 3.910368 2.722441 ESP Fit Center 3947 is at 2.384556 2.377425 2.722441 ESP Fit Center 3948 is at 2.760800 2.788176 2.447284 ESP Fit Center 3949 is at 2.712933 3.213010 2.447284 ESP Fit Center 3950 is at 2.571731 3.616542 2.447284 ESP Fit Center 3951 is at 2.344275 3.978535 2.447284 ESP Fit Center 3952 is at 2.041971 4.280839 2.447284 ESP Fit Center 3953 is at 1.679978 4.508295 2.447284 ESP Fit Center 3954 is at 1.276446 4.649497 2.447284 ESP Fit Center 3955 is at 0.851612 4.697364 2.447284 ESP Fit Center 3956 is at 2.344275 1.597816 2.447284 ESP Fit Center 3957 is at 2.571731 1.959810 2.447284 ESP Fit Center 3958 is at 2.712933 2.363341 2.447284 ESP Fit Center 3959 is at 3.035958 2.788176 2.125116 ESP Fit Center 3960 is at 2.996484 3.201566 2.125116 ESP Fit Center 3961 is at 2.879488 3.600015 2.125116 ESP Fit Center 3962 is at 2.689200 3.969122 2.125116 ESP Fit Center 3963 is at 2.432497 4.295547 2.125116 ESP Fit Center 3964 is at 2.118657 4.567491 2.125116 ESP Fit Center 3965 is at 0.540747 4.950288 2.125116 ESP Fit Center 3966 is at 0.137182 4.852384 2.125116 ESP Fit Center 3967 is at -0.240561 4.679875 2.125116 ESP Fit Center 3968 is at 2.996484 2.374786 2.125116 ESP Fit Center 3969 is at 3.257329 2.788176 1.763870 ESP Fit Center 3970 is at 3.220781 3.205924 1.763870 ESP Fit Center 3971 is at 3.112247 3.610980 1.763870 ESP Fit Center 3972 is at 2.935024 3.991035 1.763870 ESP Fit Center 3973 is at 2.694498 4.334541 1.763870 ESP Fit Center 3974 is at 0.028808 5.048811 1.763870 ESP Fit Center 3975 is at -0.351247 4.871588 1.763870 ESP Fit Center 3976 is at -0.694754 4.631062 1.763870 ESP Fit Center 3977 is at -0.991275 4.334541 1.763870 ESP Fit Center 3978 is at 3.384442 3.210830 1.372441 ESP Fit Center 3979 is at 3.280331 3.621956 1.372441 ESP Fit Center 3980 is at 3.109971 4.010338 1.372441 ESP Fit Center 3981 is at -0.552870 4.937896 1.372441 ESP Fit Center 3982 is at 3.485538 3.205349 0.960468 ESP Fit Center 3983 is at 3.387850 3.612249 0.960468 ESP Fit Center 3984 is at 3.227711 3.998859 0.960468 ESP Fit Center 3985 is at 3.425782 3.602821 0.538095 ESP Fit Center 3986 is at 3.387850 3.612249 0.115722 ESP Fit Center 3987 is at 3.280331 3.621956 -0.296251 ESP Fit Center 3988 is at 3.112247 3.610980 -0.687679 ESP Fit Center 3989 is at 2.879488 3.600015 -1.048925 ESP Fit Center 3990 is at 2.571731 3.616542 -1.371093 ESP Fit Center 3991 is at 0.532513 4.985584 -1.458747 ESP Fit Center 3992 is at 0.110001 5.039688 -1.458747 ESP Fit Center 3993 is at -0.315577 5.021610 -1.458747 ESP Fit Center 3994 is at -0.731979 4.931869 -1.458747 ESP Fit Center 3995 is at 2.371350 3.367203 -1.874947 ESP Fit Center 3996 is at 2.195896 3.755352 -1.874947 ESP Fit Center 3997 is at 1.957368 4.108266 -1.874947 ESP Fit Center 3998 is at 1.662628 4.415791 -1.874947 ESP Fit Center 3999 is at 1.320156 4.669083 -1.874947 ESP Fit Center 4000 is at 0.939803 4.860852 -1.874947 ESP Fit Center 4001 is at 0.532513 4.985584 -1.874947 ESP Fit Center 4002 is at 0.110001 5.039688 -1.874947 ESP Fit Center 4003 is at -0.315577 5.021610 -1.874947 ESP Fit Center 4004 is at -0.731979 4.931869 -1.874947 ESP Fit Center 4005 is at 2.298979 3.366076 -2.285471 ESP Fit Center 4006 is at 2.119018 3.752003 -2.285471 ESP Fit Center 4007 is at 1.874775 4.100817 -2.285471 ESP Fit Center 4008 is at 1.573673 4.401920 -2.285471 ESP Fit Center 4009 is at 1.224859 4.646162 -2.285471 ESP Fit Center 4010 is at 0.838931 4.826123 -2.285471 ESP Fit Center 4011 is at 0.427617 4.936334 -2.285471 ESP Fit Center 4012 is at 0.003414 4.973447 -2.285471 ESP Fit Center 4013 is at -0.420789 4.936334 -2.285471 ESP Fit Center 4014 is at 2.271869 2.954606 -2.679120 ESP Fit Center 4015 is at 2.155326 3.364213 -2.679120 ESP Fit Center 4016 is at 1.965502 3.745432 -2.679120 ESP Fit Center 4017 is at 1.708861 4.085279 -2.679120 ESP Fit Center 4018 is at 1.394144 4.372182 -2.679120 ESP Fit Center 4019 is at 1.032066 4.596370 -2.679120 ESP Fit Center 4020 is at 0.634960 4.750210 -2.679120 ESP Fit Center 4021 is at 0.216346 4.828463 -2.679120 ESP Fit Center 4022 is at -0.209518 4.828463 -2.679120 ESP Fit Center 4023 is at 2.069889 2.955230 -3.045157 ESP Fit Center 4024 is at 1.942102 3.362515 -3.045157 ESP Fit Center 4025 is at 1.734946 3.735740 -3.045157 ESP Fit Center 4026 is at 1.456900 4.059624 -3.045157 ESP Fit Center 4027 is at 1.119348 4.320909 -3.045157 ESP Fit Center 4028 is at 0.736110 4.508896 -3.045157 ESP Fit Center 4029 is at 0.322875 4.615890 -3.045157 ESP Fit Center 4030 is at -0.103438 4.637510 -3.045157 ESP Fit Center 4031 is at 1.857438 2.530558 -3.373597 ESP Fit Center 4032 is at 1.807463 2.958126 -3.373597 ESP Fit Center 4033 is at 1.660231 3.362643 -3.373597 ESP Fit Center 4034 is at 1.423679 3.722302 -3.373597 ESP Fit Center 4035 is at 1.110561 4.017714 -3.373597 ESP Fit Center 4036 is at 0.737756 4.232953 -3.373597 ESP Fit Center 4037 is at 0.325362 4.356416 -3.373597 ESP Fit Center 4038 is at -0.528326 0.754423 -3.373597 ESP Fit Center 4039 is at 1.807463 2.102991 -3.373597 ESP Fit Center 4040 is at 1.551230 2.530558 -3.655481 ESP Fit Center 4041 is at 1.493833 2.948154 -3.655481 ESP Fit Center 4042 is at 1.325898 3.334779 -3.655481 ESP Fit Center 4043 is at 1.059881 3.661758 -3.655481 ESP Fit Center 4044 is at 0.715510 3.904841 -3.655481 ESP Fit Center 4045 is at 0.318327 4.046000 -3.655481 ESP Fit Center 4046 is at -0.514918 1.072112 -3.655481 ESP Fit Center 4047 is at -0.102213 0.986351 -3.655481 ESP Fit Center 4048 is at 0.318327 1.015116 -3.655481 ESP Fit Center 4049 is at 1.059881 1.399359 -3.655481 ESP Fit Center 4050 is at 1.325898 1.726338 -3.655481 ESP Fit Center 4051 is at 1.493833 2.112963 -3.655481 ESP Fit Center 4052 is at 1.202802 2.530558 -3.883121 ESP Fit Center 4053 is at 1.130470 2.940773 -3.883121 ESP Fit Center 4054 is at 0.922198 3.301510 -3.883121 ESP Fit Center 4055 is at 0.603108 3.569258 -3.883121 ESP Fit Center 4056 is at 0.211686 3.711724 -3.883121 ESP Fit Center 4057 is at -0.204857 1.349392 -3.883121 ESP Fit Center 4058 is at 0.211686 1.349392 -3.883121 ESP Fit Center 4059 is at 0.603108 1.491858 -3.883121 ESP Fit Center 4060 is at 0.922198 1.759607 -3.883121 ESP Fit Center 4061 is at 1.130470 2.120344 -3.883121 ESP Fit Center 4062 is at 0.821657 2.530558 -4.050307 ESP Fit Center 4063 is at 0.712033 2.939680 -4.050307 ESP Fit Center 4064 is at 0.412536 3.239177 -4.050307 ESP Fit Center 4065 is at 0.003414 1.712316 -4.050307 ESP Fit Center 4066 is at 0.412536 1.821939 -4.050307 ESP Fit Center 4067 is at 0.712033 2.121437 -4.050307 ESP Fit Center 4068 is at 0.418193 2.530558 -4.152478 ESP Fit Center 4069 is at 0.210803 2.889767 -4.152478 ESP Fit Center 4070 is at 0.210803 2.171350 -4.152478 ESP Fit Center 4071 is at -3.547770 -1.912323 2.863028 ESP Fit Center 4072 is at -3.132991 -1.912323 2.828658 ESP Fit Center 4073 is at -3.755159 -1.553114 2.828658 ESP Fit Center 4074 is at -3.962548 -1.912323 2.828658 ESP Fit Center 4075 is at -3.755159 -2.271531 2.828658 ESP Fit Center 4076 is at -3.340381 -2.271531 2.828658 ESP Fit Center 4077 is at -4.256389 -1.503201 2.726487 ESP Fit Center 4078 is at -4.366012 -1.912323 2.726487 ESP Fit Center 4079 is at -4.256389 -2.321444 2.726487 ESP Fit Center 4080 is at -3.956891 -2.620942 2.726487 ESP Fit Center 4081 is at -3.547770 -2.730565 2.726487 ESP Fit Center 4082 is at -3.138648 -2.620942 2.726487 ESP Fit Center 4083 is at -2.839151 -2.321444 2.726487 ESP Fit Center 4084 is at -4.674825 -1.502108 2.559302 ESP Fit Center 4085 is at -4.747157 -1.912323 2.559302 ESP Fit Center 4086 is at -4.674825 -2.322537 2.559302 ESP Fit Center 4087 is at -4.466554 -2.683274 2.559302 ESP Fit Center 4088 is at -4.147464 -2.951023 2.559302 ESP Fit Center 4089 is at -3.756041 -3.093489 2.559302 ESP Fit Center 4090 is at -3.339498 -3.093489 2.559302 ESP Fit Center 4091 is at -2.948076 -2.951023 2.559302 ESP Fit Center 4092 is at -2.628986 -2.683274 2.559302 ESP Fit Center 4093 is at -4.967444 -1.295671 2.331662 ESP Fit Center 4094 is at -5.081169 -1.701562 2.331662 ESP Fit Center 4095 is at -5.081169 -2.123084 2.331662 ESP Fit Center 4096 is at -4.967444 -2.528974 2.331662 ESP Fit Center 4097 is at -4.748428 -2.889131 2.331662 ESP Fit Center 4098 is at -4.440365 -3.176842 2.331662 ESP Fit Center 4099 is at -4.066102 -3.370769 2.331662 ESP Fit Center 4100 is at -3.653396 -3.456531 2.331662 ESP Fit Center 4101 is at -3.232857 -3.427765 2.331662 ESP Fit Center 4102 is at -2.835674 -3.286606 2.331662 ESP Fit Center 4103 is at -2.491303 -3.043522 2.331662 ESP Fit Center 4104 is at -2.225286 -2.716543 2.331662 ESP Fit Center 4105 is at -5.289983 -1.278209 2.049777 ESP Fit Center 4106 is at -5.389258 -1.697084 2.049777 ESP Fit Center 4107 is at -5.389258 -2.127562 2.049777 ESP Fit Center 4108 is at -5.289983 -2.546436 2.049777 ESP Fit Center 4109 is at -5.096784 -2.931126 2.049777 ESP Fit Center 4110 is at -4.820078 -3.260891 2.049777 ESP Fit Center 4111 is at -4.474782 -3.517955 2.049777 ESP Fit Center 4112 is at -4.079510 -3.688459 2.049777 ESP Fit Center 4113 is at -3.655572 -3.763210 2.049777 ESP Fit Center 4114 is at -3.225822 -3.738180 2.049777 ESP Fit Center 4115 is at -2.813428 -3.614718 2.049777 ESP Fit Center 4116 is at -2.440623 -3.399479 2.049777 ESP Fit Center 4117 is at -2.127505 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1.355300 ESP Fit Center 4136 is at -5.509857 -3.127196 1.355300 ESP Fit Center 4137 is at -5.253217 -3.467043 1.355300 ESP Fit Center 4138 is at -4.938499 -3.753946 1.355300 ESP Fit Center 4139 is at -4.576422 -3.978135 1.355300 ESP Fit Center 4140 is at -4.179315 -4.131975 1.355300 ESP Fit Center 4141 is at -3.760702 -4.210227 1.355300 ESP Fit Center 4142 is at -3.334838 -4.210227 1.355300 ESP Fit Center 4143 is at -2.916224 -4.131975 1.355300 ESP Fit Center 4144 is at -5.843334 -1.076806 0.961651 ESP Fit Center 4145 is at -5.953545 -1.488120 0.961651 ESP Fit Center 4146 is at -5.990658 -1.912323 0.961651 ESP Fit Center 4147 is at -5.953545 -2.336526 0.961651 ESP Fit Center 4148 is at -5.843334 -2.747840 0.961651 ESP Fit Center 4149 is at -5.663373 -3.133767 0.961651 ESP Fit Center 4150 is at -5.419131 -3.482581 0.961651 ESP Fit Center 4151 is at -5.118028 -3.783684 0.961651 ESP Fit Center 4152 is at -4.769214 -4.027926 0.961651 ESP Fit Center 4153 is at -4.383287 -4.207887 0.961651 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3.194826 ESP Fit Center 4426 is at -1.221982 3.157341 3.194826 ESP Fit Center 4427 is at -1.487999 3.484320 3.194826 ESP Fit Center 4428 is at -1.832370 3.727403 3.194826 ESP Fit Center 4429 is at -2.229553 3.868562 3.194826 ESP Fit Center 4430 is at -2.650093 3.897328 3.194826 ESP Fit Center 4431 is at -3.062798 3.811567 3.194826 ESP Fit Center 4432 is at -3.437061 3.617639 3.194826 ESP Fit Center 4433 is at -3.745124 3.329928 3.194826 ESP Fit Center 4434 is at -3.964140 2.969772 3.194826 ESP Fit Center 4435 is at -4.077865 2.563881 3.194826 ESP Fit Center 4436 is at -4.077865 2.142359 3.194826 ESP Fit Center 4437 is at -3.964140 1.736469 3.194826 ESP Fit Center 4438 is at -3.745124 1.376312 3.194826 ESP Fit Center 4439 is at -1.054047 1.935524 3.194826 ESP Fit Center 4440 is at -1.124201 3.544864 2.912942 ESP Fit Center 4441 is at -1.437319 3.840276 2.912942 ESP Fit Center 4442 is at -1.810124 4.055515 2.912942 ESP Fit Center 4443 is at -2.222518 4.178978 2.912942 ESP Fit Center 4444 is at -2.652268 4.204008 2.912942 ESP Fit Center 4445 is at -3.076206 4.129256 2.912942 ESP Fit Center 4446 is at -3.471478 3.958752 2.912942 ESP Fit Center 4447 is at -3.816774 3.701689 2.912942 ESP Fit Center 4448 is at -4.093480 3.371923 2.912942 ESP Fit Center 4449 is at -4.286679 2.987234 2.912942 ESP Fit Center 4450 is at -4.385954 2.568359 2.912942 ESP Fit Center 4451 is at -4.385954 2.137881 2.912942 ESP Fit Center 4452 is at -4.286679 1.719007 2.912942 ESP Fit Center 4453 is at -1.090980 3.882186 2.584501 ESP Fit Center 4454 is at -1.428532 4.143471 2.584501 ESP Fit Center 4455 is at -1.811770 4.331458 2.584501 ESP Fit Center 4456 is at -2.225005 4.438452 2.584501 ESP Fit Center 4457 is at -2.651318 4.460072 2.584501 ESP Fit Center 4458 is at -3.073257 4.395433 2.584501 ESP Fit Center 4459 is at -3.473548 4.247182 2.584501 ESP Fit Center 4460 is at -3.835801 4.021388 2.584501 ESP Fit Center 4461 is at -4.145187 3.727294 2.584501 ESP Fit Center 4462 is at -4.389039 3.376942 2.584501 ESP Fit Center 4463 is at -4.557375 2.984674 2.584501 ESP Fit Center 4464 is at -4.643301 2.566551 2.584501 ESP Fit Center 4465 is at -4.643301 2.139690 2.584501 ESP Fit Center 4466 is at -1.153736 4.194744 2.218464 ESP Fit Center 4467 is at -1.515814 4.418932 2.218464 ESP Fit Center 4468 is at -1.912920 4.572772 2.218464 ESP Fit Center 4469 is at -2.331534 4.651025 2.218464 ESP Fit Center 4470 is at -2.757398 4.651025 2.218464 ESP Fit Center 4471 is at -3.176011 4.572772 2.218464 ESP Fit Center 4472 is at -3.573118 4.418932 2.218464 ESP Fit Center 4473 is at -3.935195 4.194744 2.218464 ESP Fit Center 4474 is at -4.249913 3.907841 2.218464 ESP Fit Center 4475 is at -4.506553 3.567993 2.218464 ESP Fit Center 4476 is at -4.696377 3.186775 2.218464 ESP Fit Center 4477 is at -4.812921 2.777168 2.218464 ESP Fit Center 4478 is at -4.852215 2.353120 2.218464 ESP Fit Center 4479 is at -1.323021 4.468724 1.824815 ESP Fit Center 4480 is at -1.708949 4.648685 1.824815 ESP Fit Center 4481 is at -2.120263 4.758896 1.824815 ESP Fit Center 4482 is at -2.544466 4.796009 1.824815 ESP Fit Center 4483 is at -2.968669 4.758896 1.824815 ESP Fit Center 4484 is at -3.379983 4.648685 1.824815 ESP Fit Center 4485 is at -3.765910 4.468724 1.824815 ESP Fit Center 4486 is at -4.114724 4.224482 1.824815 ESP Fit Center 4487 is at -4.415827 3.923379 1.824815 ESP Fit Center 4488 is at -4.660069 3.574565 1.824815 ESP Fit Center 4489 is at -4.840030 3.188637 1.824815 ESP Fit Center 4490 is at -4.950242 2.777323 1.824815 ESP Fit Center 4491 is at -4.987354 2.353120 1.824815 ESP Fit Center 4492 is at -1.608077 4.683414 1.414292 ESP Fit Center 4493 is at -2.015367 4.808146 1.414292 ESP Fit Center 4494 is at -2.437879 4.862250 1.414292 ESP Fit Center 4495 is at -2.863457 4.844172 1.414292 ESP Fit Center 4496 is at -3.279859 4.754431 1.414292 ESP Fit Center 4497 is at -3.675104 4.595608 1.414292 ESP Fit Center 4498 is at -4.037823 4.372273 1.414292 ESP Fit Center 4499 is at -4.357581 4.090851 1.414292 ESP Fit Center 4500 is at -4.625179 3.759437 1.414292 ESP Fit Center 4501 is at -4.832919 3.387566 1.414292 ESP Fit Center 4502 is at -4.974823 2.985936 1.414292 ESP Fit Center 4503 is at -5.046811 2.566101 1.414292 ESP Fit Center 4504 is at -5.046811 2.140139 1.414292 ESP Fit Center 4505 is at -2.437879 4.862250 0.998092 ESP Fit Center 4506 is at -2.863457 4.844172 0.998092 ESP Fit Center 4507 is at -3.279859 4.754431 0.998092 ESP Fit Center 4508 is at -3.675104 4.595608 0.998092 ESP Fit Center 4509 is at -4.037823 4.372273 0.998092 ESP Fit Center 4510 is at -4.357581 4.090851 0.998092 ESP Fit Center 4511 is at -4.625179 3.759437 0.998092 ESP Fit Center 4512 is at -4.832919 3.387566 0.998092 ESP Fit Center 4513 is at -4.974823 2.985936 0.998092 ESP Fit Center 4514 is at -5.046811 2.566101 0.998092 ESP Fit Center 4515 is at -5.046811 2.140139 0.998092 ESP Fit Center 4516 is at -2.544466 4.796009 0.587569 ESP Fit Center 4517 is at -2.968669 4.758896 0.587569 ESP Fit Center 4518 is at -3.379983 4.648685 0.587569 ESP Fit Center 4519 is at -3.765910 4.468724 0.587569 ESP Fit Center 4520 is at -4.114724 4.224482 0.587569 ESP Fit Center 4521 is at -4.415827 3.923379 0.587569 ESP Fit Center 4522 is at -4.660069 3.574565 0.587569 ESP Fit Center 4523 is at -4.840030 3.188637 0.587569 ESP Fit Center 4524 is at -4.950242 2.777323 0.587569 ESP Fit Center 4525 is at -4.987354 2.353120 0.587569 ESP Fit Center 4526 is at -2.757398 4.651025 0.193920 ESP Fit Center 4527 is at -3.176011 4.572772 0.193920 ESP Fit Center 4528 is at -3.573118 4.418932 0.193920 ESP Fit Center 4529 is at -3.935195 4.194744 0.193920 ESP Fit Center 4530 is at -4.249913 3.907841 0.193920 ESP Fit Center 4531 is at -4.506553 3.567993 0.193920 ESP Fit Center 4532 is at -4.696377 3.186775 0.193920 ESP Fit Center 4533 is at -4.812921 2.777168 0.193920 ESP Fit Center 4534 is at -4.852215 2.353120 0.193920 ESP Fit Center 4535 is at -3.073257 4.395433 -0.172117 ESP Fit Center 4536 is at -3.473548 4.247182 -0.172117 ESP Fit Center 4537 is at -3.835801 4.021388 -0.172117 ESP Fit Center 4538 is at -4.145187 3.727294 -0.172117 ESP Fit Center 4539 is at -4.389039 3.376942 -0.172117 ESP Fit Center 4540 is at -4.557375 2.984674 -0.172117 ESP Fit Center 4541 is at -4.643301 2.566551 -0.172117 ESP Fit Center 4542 is at -4.643301 2.139690 -0.172117 ESP Fit Center 4543 is at -3.076206 4.129256 -0.500558 ESP Fit Center 4544 is at -3.471478 3.958752 -0.500558 ESP Fit Center 4545 is at -3.816774 3.701689 -0.500558 ESP Fit Center 4546 is at -4.093480 3.371923 -0.500558 ESP Fit Center 4547 is at -4.286679 2.987234 -0.500558 ESP Fit Center 4548 is at -4.385954 2.568359 -0.500558 ESP Fit Center 4549 is at -3.437061 3.617639 -0.782442 ESP Fit Center 4550 is at -3.745124 3.329928 -0.782442 ESP Fit Center 4551 is at -3.964140 2.969772 -0.782442 ESP Fit Center 4552 is at -4.077865 2.563881 -0.782442 ESP Fit Center 4553 is at -3.144160 3.391820 -1.010082 ESP Fit Center 4554 is at -3.463250 3.124072 -1.010082 ESP Fit Center 4555 is at -0.296647 0.760596 2.568377 ESP Fit Center 4556 is at -0.406325 0.116217 2.406242 ESP Fit Center 4557 is at -0.080214 0.389857 2.406242 ESP Fit Center 4558 is at 0.132639 0.758530 2.406242 ESP Fit Center 4559 is at -2.880533 1.602603 -1.908664 ESP Fit Center 4560 is at -2.928400 1.177769 -1.908664 ESP Fit Center 4561 is at -2.880533 0.752935 -1.908664 ESP Fit Center 4562 is at -2.606232 1.177769 -2.183821 ESP Fit Center 4563 is at -2.552156 0.767018 -2.183821 ESP Fit Center 4564 is at -2.325823 0.754889 -2.382803 ESP Fit Center 4565 is at -1.980103 0.720033 -2.657961 ESP Fit Center 4566 is at -2.138647 0.337274 -2.657961 ESP Fit Center 4567 is at -1.544701 0.714436 -2.879332 ESP Fit Center 4568 is at -1.757555 0.345763 -2.879332 ESP Fit Center 4569 is at -1.831478 -0.073477 -2.879332 ESP Fit Center 4570 is at -1.022877 0.649088 -3.041467 ESP Fit Center 4571 is at -1.328268 0.343696 -3.041467 ESP Fit Center 4572 is at -1.440050 -0.073477 -3.041467 ESP Fit Center 4573 is at -1.028077 -0.073477 -3.140373 ESP Fit Center 4574 is at -2.866170 0.524895 -1.987317 ESP Fit Center 4575 is at -2.626087 0.366740 -2.309486 ESP Fit Center 4576 is at -2.928391 0.064436 -2.309486 ESP Fit Center 4577 is at -2.557920 -0.003730 -2.584643 ESP Fit Center 4578 is at -2.810127 -0.332413 -2.584643 ESP Fit Center 4579 is at -2.968671 -0.715172 -2.584643 ESP Fit Center 4580 is at -2.048615 -0.064372 -2.806015 ESP Fit Center 4581 is at -2.374725 -0.338011 -2.806015 ESP Fit Center 4582 is at -2.587579 -0.706684 -2.806015 ESP Fit Center 4583 is at -1.852900 -0.403358 -2.968150 ESP Fit Center 4584 is at -1.218013 4.729730 1.410209 ESP Fit Center 4585 is at -0.801915 4.974629 1.082890 ESP Fit Center 4586 is at -1.218210 4.998876 1.082890 ESP Fit Center 4587 is at -1.628874 4.926464 1.082890 ESP Fit Center 4588 is at -0.905188 5.190588 0.709455 ESP Fit Center 4589 is at -1.322378 5.190588 0.709455 ESP Fit Center 4590 is at -1.730451 5.103849 0.709455 ESP Fit Center 4591 is at -2.111573 4.934163 0.709455 ESP Fit Center 4592 is at -0.700485 5.283730 0.304254 ESP Fit Center 4593 is at -1.113783 5.324436 0.304254 ESP Fit Center 4594 is at -1.527081 5.283730 0.304254 ESP Fit Center 4595 is at -1.924497 5.163175 0.304254 ESP Fit Center 4596 is at -2.290757 4.967405 0.304254 ESP Fit Center 4597 is at -0.604544 5.305053 -0.117141 ESP Fit Center 4598 is at -1.011006 5.363493 -0.117141 ESP Fit Center 4599 is at -1.421183 5.343954 -0.117141 ESP Fit Center 4600 is at -1.820250 5.247142 -0.117141 ESP Fit Center 4601 is at -2.193783 5.076555 -0.117141 ESP Fit Center 4602 is at -2.528282 4.838359 -0.117141 ESP Fit Center 4603 is at -2.811658 4.541163 -0.117141 ESP Fit Center 4604 is at -0.700485 5.283730 -0.538537 ESP Fit Center 4605 is at -1.113783 5.324436 -0.538537 ESP Fit Center 4606 is at -1.527081 5.283730 -0.538537 ESP Fit Center 4607 is at -1.924497 5.163175 -0.538537 ESP Fit Center 4608 is at -2.290757 4.967405 -0.538537 ESP Fit Center 4609 is at -2.611786 4.703943 -0.538537 ESP Fit Center 4610 is at -2.875248 4.382913 -0.538537 ESP Fit Center 4611 is at -0.497115 5.103849 -0.943738 ESP Fit Center 4612 is at -0.905188 5.190588 -0.943738 ESP Fit Center 4613 is at -1.322378 5.190588 -0.943738 ESP Fit Center 4614 is at -1.730451 5.103849 -0.943738 ESP Fit Center 4615 is at -2.111573 4.934163 -0.943738 ESP Fit Center 4616 is at -2.449087 4.688945 -0.943738 ESP Fit Center 4617 is at -2.728241 4.378912 -0.943738 ESP Fit Center 4618 is at -2.936836 4.017615 -0.943738 ESP Fit Center 4619 is at -3.065755 3.620844 -0.943738 ESP Fit Center 4620 is at -0.801915 4.974629 -1.317173 ESP Fit Center 4621 is at -1.218210 4.998876 -1.317173 ESP Fit Center 4622 is at -1.628874 4.926464 -1.317173 ESP Fit Center 4623 is at -2.011770 4.761299 -1.317173 ESP Fit Center 4624 is at -2.346256 4.512284 -1.317173 ESP Fit Center 4625 is at -2.614298 4.192844 -1.317173 ESP Fit Center 4626 is at -2.801447 3.820199 -1.317173 ESP Fit Center 4627 is at -2.897614 3.414440 -1.317173 ESP Fit Center 4628 is at -2.897614 2.997440 -1.317173 ESP Fit Center 4629 is at -1.625262 4.645103 -1.644492 ESP Fit Center 4630 is at -1.994576 4.453739 -1.644492 ESP Fit Center 4631 is at -2.298566 4.169832 -1.644492 ESP Fit Center 4632 is at 0.576438 2.711087 3.742804 ESP Fit Center 4633 is at 0.997833 2.711087 3.701300 ESP Fit Center 4634 is at 0.787135 3.076026 3.701300 ESP Fit Center 4635 is at 0.365740 3.076026 3.701300 ESP Fit Center 4636 is at 0.155043 2.711087 3.701300 ESP Fit Center 4637 is at 0.365740 2.346148 3.701300 ESP Fit Center 4638 is at 0.787135 2.346148 3.701300 ESP Fit Center 4639 is at 1.403034 2.711087 3.578384 ESP Fit Center 4640 is at 1.292291 3.124385 3.578384 ESP Fit Center 4641 is at 0.989736 3.426940 3.578384 ESP Fit Center 4642 is at 0.576438 3.537683 3.578384 ESP Fit Center 4643 is at 0.163140 3.426940 3.578384 ESP Fit Center 4644 is at -0.139415 3.124385 3.578384 ESP Fit Center 4645 is at -0.250158 2.711087 3.578384 ESP Fit Center 4646 is at -0.139415 2.297789 3.578384 ESP Fit Center 4647 is at 0.163140 1.995234 3.578384 ESP Fit Center 4648 is at 0.576438 1.884491 3.578384 ESP Fit Center 4649 is at 0.989736 1.995234 3.578384 ESP Fit Center 4650 is at 1.292291 2.297789 3.578384 ESP Fit Center 4651 is at 1.776470 2.711087 3.378778 ESP Fit Center 4652 is at 1.704099 3.121522 3.378778 ESP Fit Center 4653 is at 1.495715 3.482453 3.378778 ESP Fit Center 4654 is at 1.176454 3.750345 3.378778 ESP Fit Center 4655 is at 0.784821 3.892888 3.378778 ESP Fit Center 4656 is at 0.368055 3.892888 3.378778 ESP Fit Center 4657 is at -0.023578 3.750345 3.378778 ESP Fit Center 4658 is at -0.342840 3.482453 3.378778 ESP Fit Center 4659 is at -0.551223 3.121522 3.378778 ESP Fit Center 4660 is at -0.623594 2.711087 3.378778 ESP Fit Center 4661 is at -0.551223 2.300652 3.378778 ESP Fit Center 4662 is at -0.342840 1.939722 3.378778 ESP Fit Center 4663 is at -0.023578 1.671829 3.378778 ESP Fit Center 4664 is at 0.368055 1.529287 3.378778 ESP Fit Center 4665 is at 0.784821 1.529287 3.378778 ESP Fit Center 4666 is at 1.176454 1.671829 3.378778 ESP Fit Center 4667 is at 1.495715 1.939722 3.378778 ESP Fit Center 4668 is at 1.704099 2.300652 3.378778 ESP Fit Center 4669 is at 2.103788 2.711087 3.110155 ESP Fit Center 4670 is at 2.047150 3.123161 3.110155 ESP Fit Center 4671 is at 1.881436 3.504674 3.110155 ESP Fit Center 4672 is at 1.618936 3.827330 3.110155 ESP Fit Center 4673 is at 1.279118 4.067199 3.110155 ESP Fit Center 4674 is at 0.887187 4.206492 3.110155 ESP Fit Center 4675 is at 0.472208 4.234877 3.110155 ESP Fit Center 4676 is at 0.064959 4.150250 3.110155 ESP Fit Center 4677 is at -0.304355 3.958887 3.110155 ESP Fit Center 4678 is at -0.608345 3.674980 3.110155 ESP Fit Center 4679 is at -0.824465 3.319585 3.110155 ESP Fit Center 4680 is at -0.936687 2.919061 3.110155 ESP Fit Center 4681 is at -0.824465 2.102589 3.110155 ESP Fit Center 4682 is at -0.608345 1.747194 3.110155 ESP Fit Center 4683 is at -0.304355 1.463288 3.110155 ESP Fit Center 4684 is at 0.064959 1.271924 3.110155 ESP Fit Center 4685 is at 0.472208 1.187297 3.110155 ESP Fit Center 4686 is at 0.887187 1.215682 3.110155 ESP Fit Center 4687 is at 1.279118 1.354975 3.110155 ESP Fit Center 4688 is at 1.618936 1.594844 3.110155 ESP Fit Center 4689 is at 1.881436 1.917500 3.110155 ESP Fit Center 4690 is at 2.047150 2.299013 3.110155 ESP Fit Center 4691 is at 2.372412 2.711087 2.782836 ESP Fit Center 4692 is at 2.324001 3.125267 2.782836 ESP Fit Center 4693 is at 2.181379 3.517119 2.782836 ESP Fit Center 4694 is at 1.952234 3.865517 2.782836 ESP Fit Center 4695 is at 1.648919 4.151680 2.782836 ESP Fit Center 4696 is at 1.287787 4.360180 2.782836 ESP Fit Center 4697 is at 0.888306 4.479777 2.782836 ESP Fit Center 4698 is at 0.472011 4.504023 2.782836 ESP Fit Center 4699 is at 0.061347 4.431612 2.782836 ESP Fit Center 4700 is at -0.321549 4.266447 2.782836 ESP Fit Center 4701 is at -0.656035 4.017431 2.782836 ESP Fit Center 4702 is at -0.924077 3.697991 2.782836 ESP Fit Center 4703 is at -0.321549 1.155728 2.782836 ESP Fit Center 4704 is at 0.061347 0.990562 2.782836 ESP Fit Center 4705 is at 0.472011 0.918151 2.782836 ESP Fit Center 4706 is at 0.888306 0.942398 2.782836 ESP Fit Center 4707 is at 1.287787 1.061994 2.782836 ESP Fit Center 4708 is at 1.648919 1.270494 2.782836 ESP Fit Center 4709 is at 1.952234 1.556657 2.782836 ESP Fit Center 4710 is at 2.181379 1.905055 2.782836 ESP Fit Center 4711 is at 2.324001 2.296907 2.782836 ESP Fit Center 4712 is at 0.367843 4.695735 2.409400 ESP Fit Center 4713 is at -0.040230 4.608996 2.409400 ESP Fit Center 4714 is at -0.421352 4.439310 2.409400 ESP Fit Center 4715 is at -0.758866 4.194092 2.409400 ESP Fit Center 4716 is at 0.367843 0.726439 2.409400 ESP Fit Center 4717 is at 0.785033 0.726439 2.409400 ESP Fit Center 4718 is at -0.921565 4.209090 2.004199 ESP Fit Center 4719 is at 1.760498 4.846034 2.131093 ESP Fit Center 4720 is at 1.368865 4.988577 2.131093 ESP Fit Center 4721 is at 0.952098 4.988577 2.131093 ESP Fit Center 4722 is at 2.465480 4.600363 1.862469 ESP Fit Center 4723 is at 2.202980 4.923019 1.862469 ESP Fit Center 4724 is at 1.863162 5.162888 1.862469 ESP Fit Center 4725 is at 1.471230 5.302181 1.862469 ESP Fit Center 4726 is at 1.056252 5.330566 1.862469 ESP Fit Center 4727 is at 0.649003 5.245939 1.862469 ESP Fit Center 4728 is at 2.765423 4.612808 1.535150 ESP Fit Center 4729 is at 2.536278 4.961206 1.535150 ESP Fit Center 4730 is at 2.232963 5.247369 1.535150 ESP Fit Center 4731 is at 1.871831 5.455869 1.535150 ESP Fit Center 4732 is at 1.472349 5.575466 1.535150 ESP Fit Center 4733 is at 1.056055 5.599712 1.535150 ESP Fit Center 4734 is at 0.645390 5.527301 1.535150 ESP Fit Center 4735 is at 0.262495 5.362136 1.535150 ESP Fit Center 4736 is at 3.112453 4.221681 1.161715 ESP Fit Center 4737 is at 2.983535 4.618452 1.161715 ESP Fit Center 4738 is at 2.774940 4.979749 1.161715 ESP Fit Center 4739 is at 2.495785 5.289781 1.161715 ESP Fit Center 4740 is at 2.158272 5.534999 1.161715 ESP Fit Center 4741 is at 1.777150 5.704686 1.161715 ESP Fit Center 4742 is at 1.369077 5.791424 1.161715 ESP Fit Center 4743 is at 0.951887 5.791424 1.161715 ESP Fit Center 4744 is at 0.543814 5.704686 1.161715 ESP Fit Center 4745 is at 0.162692 5.534999 1.161715 ESP Fit Center 4746 is at -0.174822 5.289781 1.161715 ESP Fit Center 4747 is at 3.238272 4.220074 0.756513 ESP Fit Center 4748 is at 3.117717 4.617490 0.756513 ESP Fit Center 4749 is at 2.921947 4.983750 0.756513 ESP Fit Center 4750 is at 2.658485 5.304779 0.756513 ESP Fit Center 4751 is at 2.337455 5.568242 0.756513 ESP Fit Center 4752 is at 1.971195 5.764012 0.756513 ESP Fit Center 4753 is at 1.573780 5.884566 0.756513 ESP Fit Center 4754 is at 1.160482 5.925273 0.756513 ESP Fit Center 4755 is at 0.747184 5.884566 0.756513 ESP Fit Center 4756 is at 0.349768 5.764012 0.756513 ESP Fit Center 4757 is at -0.016492 5.568242 0.756513 ESP Fit Center 4758 is at -0.337521 5.304779 0.756513 ESP Fit Center 4759 is at 3.281448 4.215559 0.335118 ESP Fit Center 4760 is at 3.165756 4.609567 0.335118 ESP Fit Center 4761 is at 2.977589 4.974561 0.335118 ESP Fit Center 4762 is at 2.723747 5.297347 0.335118 ESP Fit Center 4763 is at 2.413405 5.566260 0.335118 ESP Fit Center 4764 is at 2.057778 5.771581 0.335118 ESP Fit Center 4765 is at 1.669721 5.905889 0.335118 ESP Fit Center 4766 is at 1.263259 5.964330 0.335118 ESP Fit Center 4767 is at 0.853082 5.944791 0.335118 ESP Fit Center 4768 is at 0.454015 5.847978 0.335118 ESP Fit Center 4769 is at 0.080482 5.677391 0.335118 ESP Fit Center 4770 is at -0.254017 5.439195 0.335118 ESP Fit Center 4771 is at 3.278978 3.806776 -0.086277 ESP Fit Center 4772 is at 3.238272 4.220074 -0.086277 ESP Fit Center 4773 is at 3.117717 4.617490 -0.086277 ESP Fit Center 4774 is at 2.921947 4.983750 -0.086277 ESP Fit Center 4775 is at 2.658485 5.304779 -0.086277 ESP Fit Center 4776 is at 2.337455 5.568242 -0.086277 ESP Fit Center 4777 is at 1.971195 5.764012 -0.086277 ESP Fit Center 4778 is at 1.573780 5.884566 -0.086277 ESP Fit Center 4779 is at 1.160482 5.925273 -0.086277 ESP Fit Center 4780 is at 0.747184 5.884566 -0.086277 ESP Fit Center 4781 is at 0.349768 5.764012 -0.086277 ESP Fit Center 4782 is at -0.016492 5.568242 -0.086277 ESP Fit Center 4783 is at -0.337521 5.304779 -0.086277 ESP Fit Center 4784 is at 3.156061 3.806776 -0.491478 ESP Fit Center 4785 is at 3.112453 4.221681 -0.491478 ESP Fit Center 4786 is at 2.983535 4.618452 -0.491478 ESP Fit Center 4787 is at 2.774940 4.979749 -0.491478 ESP Fit Center 4788 is at 2.495785 5.289781 -0.491478 ESP Fit Center 4789 is at 2.158272 5.534999 -0.491478 ESP Fit Center 4790 is at 1.777150 5.704686 -0.491478 ESP Fit Center 4791 is at 1.369077 5.791424 -0.491478 ESP Fit Center 4792 is at 0.951887 5.791424 -0.491478 ESP Fit Center 4793 is at 0.543814 5.704686 -0.491478 ESP Fit Center 4794 is at 0.162692 5.534999 -0.491478 ESP Fit Center 4795 is at -0.174822 5.289781 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4814 is at 0.649003 5.245939 -1.192232 ESP Fit Center 4815 is at 0.279689 5.054576 -1.192232 ESP Fit Center 4816 is at 2.360513 3.806776 -1.460856 ESP Fit Center 4817 is at 2.288143 4.217211 -1.460856 ESP Fit Center 4818 is at 2.079759 4.578142 -1.460856 ESP Fit Center 4819 is at 1.760498 4.846034 -1.460856 ESP Fit Center 4820 is at 1.368865 4.988577 -1.460856 ESP Fit Center 4821 is at 0.952098 4.988577 -1.460856 ESP Fit Center 4822 is at 1.876335 4.220074 -1.660461 ESP Fit Center 4823 is at 1.573780 4.522630 -1.660461 ESP Fit Center 4824 is at -3.838274 0.323479 3.456802 ESP Fit Center 4825 is at -3.627576 0.688418 3.415298 ESP Fit Center 4826 is at -4.048972 0.688418 3.415298 ESP Fit Center 4827 is at -4.259669 0.323479 3.415298 ESP Fit Center 4828 is at -4.048972 -0.041460 3.415298 ESP Fit Center 4829 is at -3.627576 -0.041460 3.415298 ESP Fit Center 4830 is at -3.838274 1.150075 3.292381 ESP Fit Center 4831 is at -4.251572 1.039332 3.292381 ESP Fit Center 4832 is at -4.554127 0.736777 3.292381 ESP Fit Center 4833 is at -4.664870 0.323479 3.292381 ESP Fit Center 4834 is at -4.554127 -0.089819 3.292381 ESP Fit Center 4835 is at -4.251572 -0.392374 3.292381 ESP Fit Center 4836 is at -3.838274 -0.503117 3.292381 ESP Fit Center 4837 is at -4.046657 1.505280 3.092776 ESP Fit Center 4838 is at -4.438290 1.362737 3.092776 ESP Fit Center 4839 is at -4.757552 1.094845 3.092776 ESP Fit Center 4840 is at -4.965935 0.733914 3.092776 ESP Fit Center 4841 is at -5.038306 0.323479 3.092776 ESP Fit Center 4842 is at -4.965935 -0.086956 3.092776 ESP Fit Center 4843 is at -4.757552 -0.447886 3.092776 ESP Fit Center 4844 is at -4.438290 -0.715779 3.092776 ESP Fit Center 4845 is at -4.046657 -0.858321 3.092776 ESP Fit Center 4846 is at -4.719067 1.571279 2.824152 ESP Fit Center 4847 is at -5.023057 1.287372 2.824152 ESP Fit Center 4848 is at -5.239177 0.931977 2.824152 ESP Fit Center 4849 is at -5.351399 0.531453 2.824152 ESP Fit Center 4850 is at -5.351399 0.115505 2.824152 ESP Fit Center 4851 is at -5.239177 -0.285019 2.824152 ESP Fit Center 4852 is at -5.023057 -0.640413 2.824152 ESP Fit Center 4853 is at -4.719067 -0.924320 2.824152 ESP Fit Center 4854 is at -4.349753 -1.115684 2.824152 ESP Fit Center 4855 is at -4.736261 1.878839 2.496833 ESP Fit Center 4856 is at -5.070746 1.629824 2.496833 ESP Fit Center 4857 is at -5.338789 1.310383 2.496833 ESP Fit Center 4858 is at -5.525938 0.937739 2.496833 ESP Fit Center 4859 is at -5.622105 0.531979 2.496833 ESP Fit Center 4860 is at -5.622105 0.114979 2.496833 ESP Fit Center 4861 is at -5.525938 -0.290780 2.496833 ESP Fit Center 4862 is at -5.338789 -0.663425 2.496833 ESP Fit Center 4863 is at -5.070746 -0.982865 2.496833 ESP Fit Center 4864 is at -4.736261 -1.231880 2.496833 ESP Fit Center 4865 is at -5.173578 1.806484 2.123398 ESP Fit Center 4866 is at -5.452732 1.496452 2.123398 ESP Fit Center 4867 is at -5.661327 1.135155 2.123398 ESP Fit Center 4868 is at -5.790246 0.738384 2.123398 ESP Fit Center 4869 is 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1.296802 ESP Fit Center 4888 is at -5.988493 0.118158 1.296802 ESP Fit Center 4889 is at -5.910779 -0.285063 1.296802 ESP Fit Center 4890 is at -5.758159 -0.666290 1.296802 ESP Fit Center 4891 is at -5.336277 1.821482 0.875407 ESP Fit Center 4892 is at -5.599739 1.500453 0.875407 ESP Fit Center 4893 is at -5.795509 1.134193 0.875407 ESP Fit Center 4894 is at -5.916064 0.736777 0.875407 ESP Fit Center 4895 is at -5.956770 0.323479 0.875407 ESP Fit Center 4896 is at -5.916064 -0.089819 0.875407 ESP Fit Center 4897 is at -5.795509 -0.487234 0.875407 ESP Fit Center 4898 is at -5.173578 1.806484 0.470205 ESP Fit Center 4899 is at -5.452732 1.496452 0.470205 ESP Fit Center 4900 is at -5.661327 1.135155 0.470205 ESP Fit Center 4901 is at -5.790246 0.738384 0.470205 ESP Fit Center 4902 is at -5.833854 0.323479 0.470205 ESP Fit Center 4903 is at -5.790246 -0.091425 0.470205 ESP Fit Center 4904 is at -5.661327 -0.488196 0.470205 ESP Fit Center 4905 is at -5.338789 1.310383 0.096770 ESP Fit Center 4906 is at -5.525938 0.937739 0.096770 ESP Fit Center 4907 is at -5.622105 0.531979 0.096770 ESP Fit Center 4908 is at -5.622105 0.114979 0.096770 ESP Fit Center 4909 is at -0.574227 0.567310 -3.227375 ESP Fit Center 4910 is at -0.732771 0.184551 -3.227375 ESP Fit Center 4911 is at -0.786847 -0.226200 -3.227375 ESP Fit Center 4912 is at -0.732771 -0.636951 -3.227375 ESP Fit Center 4913 is at 2.333117 -0.636951 -3.227375 ESP Fit Center 4914 is at 2.025947 -0.226200 -3.448747 ESP Fit Center 4915 is at -0.138824 0.561712 -3.448747 ESP Fit Center 4916 is at -0.351678 0.193039 -3.448747 ESP Fit Center 4917 is at -0.425601 -0.226200 -3.448747 ESP Fit Center 4918 is at 1.634519 -0.226200 -3.610882 ESP Fit Center 4919 is at 0.077608 0.190973 -3.610882 ESP Fit Center 4920 is at -0.034173 -0.226200 -3.610882 ESP Fit Center 4921 is at 1.222546 -0.226200 -3.709788 ESP Fit Center 4922 is at 0.588987 0.139586 -3.709788 ESP Fit Center 4923 is at 0.377800 -0.226200 -3.709788 ESP Fit Center 4924 is at 0.800173 -0.226200 -3.743029 ESP Fit Center 4925 is at -1.045565 -2.707858 2.068692 ESP Fit Center 4926 is at -1.462235 -2.707858 2.040191 ESP Fit Center 4927 is at -1.253900 -3.068705 2.040191 ESP Fit Center 4928 is at -0.837230 -3.068705 2.040191 ESP Fit Center 4929 is at -1.760537 -3.120647 1.955219 ESP Fit Center 4930 is at -1.458354 -3.422830 1.955219 ESP Fit Center 4931 is at -1.045565 -3.533436 1.955219 ESP Fit Center 4932 is at -0.632776 -3.422830 1.955219 ESP Fit Center 4933 is at -1.979456 -3.491485 1.815358 ESP Fit Center 4934 is at -1.655119 -3.763636 1.815358 ESP Fit Center 4935 is at -1.257261 -3.908445 1.815358 ESP Fit Center 4936 is at -0.833869 -3.908445 1.815358 ESP Fit Center 4937 is at -0.436011 -3.763636 1.815358 ESP Fit Center 4938 is at -0.111675 -3.491485 1.815358 ESP Fit Center 4939 is at -2.169813 -3.832106 1.623215 ESP Fit Center 4940 is at -1.840529 -4.084775 1.623215 ESP Fit Center 4941 is at -1.457069 -4.243610 1.623215 ESP Fit Center 4942 is at 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-4.858845 1.097304 ESP Fit Center 4961 is at -0.048735 -4.709764 1.097304 ESP Fit Center 4962 is at 0.302142 -4.492510 1.097304 ESP Fit Center 4963 is at 0.607123 -4.214483 1.097304 ESP Fit Center 4964 is at -2.738720 -4.547115 0.773333 ESP Fit Center 4965 is at -2.412896 -4.800714 0.773333 ESP Fit Center 4966 is at -2.049775 -4.997225 0.773333 ESP Fit Center 4967 is at -1.659261 -5.131289 0.773333 ESP Fit Center 4968 is at -1.252008 -5.199248 0.773333 ESP Fit Center 4969 is at -0.839123 -5.199248 0.773333 ESP Fit Center 4970 is at -0.431869 -5.131289 0.773333 ESP Fit Center 4971 is at -0.041356 -4.997225 0.773333 ESP Fit Center 4972 is at 0.321766 -4.800714 0.773333 ESP Fit Center 4973 is at 0.647590 -4.547115 0.773333 ESP Fit Center 4974 is at -3.141646 -4.436484 0.416491 ESP Fit Center 4975 is at -2.853208 -4.736190 0.416491 ESP Fit Center 4976 is at -2.522399 -4.988354 0.416491 ESP Fit Center 4977 is at -2.156976 -5.187066 0.416491 ESP Fit Center 4978 is at -1.765501 -5.327666 0.416491 ESP Fit Center 4979 is at -1.357152 -5.406861 0.416491 ESP Fit Center 4980 is at -0.941499 -5.422793 0.416491 ESP Fit Center 4981 is at -0.528286 -5.375090 0.416491 ESP Fit Center 4982 is at -0.127197 -5.264869 0.416491 ESP Fit Center 4983 is at 0.252366 -5.094713 0.416491 ESP Fit Center 4984 is at 0.601506 -4.868612 0.416491 ESP Fit Center 4985 is at 0.912041 -4.591865 0.416491 ESP Fit Center 4986 is at -3.224632 -4.596030 0.033423 ESP Fit Center 4987 is at -2.933737 -4.886925 0.033423 ESP Fit Center 4988 is at -2.604405 -5.133460 0.033423 ESP Fit Center 4989 is at -2.243339 -5.330617 0.033423 ESP Fit Center 4990 is at -1.857890 -5.474382 0.033423 ESP Fit Center 4991 is at -1.455904 -5.561829 0.033423 ESP Fit Center 4992 is at -1.045565 -5.591177 0.033423 ESP Fit Center 4993 is at -0.635226 -5.561829 0.033423 ESP Fit Center 4994 is at -0.233240 -5.474382 0.033423 ESP Fit Center 4995 is at 0.152209 -5.330617 0.033423 ESP Fit Center 4996 is at 0.513274 -5.133460 0.033423 ESP Fit Center 4997 is at 0.842607 -4.886925 0.033423 ESP Fit Center 4998 is at 1.133502 -4.596030 0.033423 ESP Fit Center 4999 is at -3.369594 -4.598596 -0.368733 ESP Fit Center 5000 is at -3.090493 -4.897441 -0.368733 ESP Fit Center 5001 is at -2.773298 -5.155498 -0.368733 ESP Fit Center 5002 is at -2.423919 -5.367960 -0.368733 ESP Fit Center 5003 is at -2.048864 -5.530869 -0.368733 ESP Fit Center 5004 is at -1.655119 -5.641192 -0.368733 ESP Fit Center 5005 is at -1.250019 -5.696871 -0.368733 ESP Fit Center 5006 is at -0.841111 -5.696871 -0.368733 ESP Fit Center 5007 is at -0.436011 -5.641192 -0.368733 ESP Fit Center 5008 is at -0.042267 -5.530869 -0.368733 ESP Fit Center 5009 is at 0.332788 -5.367960 -0.368733 ESP Fit Center 5010 is at 0.682168 -5.155498 -0.368733 ESP Fit Center 5011 is at 0.999362 -4.897441 -0.368733 ESP Fit Center 5012 is at 1.278464 -4.598596 -0.368733 ESP Fit Center 5013 is at -3.653993 -4.294079 -0.782487 ESP Fit Center 5014 is at -3.413708 -4.634485 -0.782487 ESP Fit Center 5015 is at -3.129309 -4.939003 -0.782487 ESP Fit Center 5016 is at -2.806093 -5.201958 -0.782487 ESP Fit Center 5017 is at -2.450082 -5.418453 -0.782487 ESP Fit Center 5018 is at -2.067908 -5.584455 -0.782487 ESP Fit Center 5019 is at -1.666689 -5.696871 -0.782487 ESP Fit Center 5020 is at -1.253900 -5.753608 -0.782487 ESP Fit Center 5021 is at -0.837230 -5.753608 -0.782487 ESP Fit Center 5022 is at -0.424441 -5.696871 -0.782487 ESP Fit Center 5023 is at -0.023222 -5.584455 -0.782487 ESP Fit Center 5024 is at 0.358952 -5.418453 -0.782487 ESP Fit Center 5025 is at 0.714963 -5.201958 -0.782487 ESP Fit Center 5026 is at 1.038178 -4.939003 -0.782487 ESP Fit Center 5027 is at 1.322578 -4.634485 -0.782487 ESP Fit Center 5028 is at 1.562863 -4.294079 -0.782487 ESP Fit Center 5029 is at -3.845689 -3.924124 -1.200130 ESP Fit Center 5030 is at -3.653993 -4.294079 -1.200130 ESP Fit Center 5031 is at -3.413708 -4.634485 -1.200130 ESP Fit Center 5032 is at -3.129309 -4.939003 -1.200130 ESP Fit Center 5033 is at -2.806093 -5.201958 -1.200130 ESP Fit Center 5034 is at -2.450082 -5.418453 -1.200130 ESP Fit Center 5035 is at -2.067908 -5.584455 -1.200130 ESP Fit Center 5036 is at -1.666689 -5.696871 -1.200130 ESP Fit Center 5037 is at -1.253900 -5.753608 -1.200130 ESP Fit Center 5038 is at -0.837230 -5.753608 -1.200130 ESP Fit Center 5039 is at -0.424441 -5.696871 -1.200130 ESP Fit Center 5040 is at -0.023222 -5.584455 -1.200130 ESP Fit Center 5041 is at 0.358952 -5.418453 -1.200130 ESP Fit Center 5042 is at 0.714963 -5.201958 -1.200130 ESP Fit Center 5043 is at 1.038178 -4.939003 -1.200130 ESP Fit Center 5044 is at 1.322578 -4.634485 -1.200130 ESP Fit Center 5045 is at 1.562863 -4.294079 -1.200130 ESP Fit Center 5046 is at -3.930463 -3.516169 -1.613884 ESP Fit Center 5047 is at -3.793528 -3.901467 -1.613884 ESP Fit Center 5048 is at -3.605403 -4.264530 -1.613884 ESP Fit Center 5049 is at -3.369594 -4.598596 -1.613884 ESP Fit Center 5050 is at -3.090493 -4.897441 -1.613884 ESP Fit Center 5051 is at -2.773298 -5.155498 -1.613884 ESP Fit Center 5052 is at -2.423919 -5.367960 -1.613884 ESP Fit Center 5053 is at -2.048864 -5.530869 -1.613884 ESP Fit Center 5054 is at -1.655119 -5.641192 -1.613884 ESP Fit Center 5055 is at -1.250019 -5.696871 -1.613884 ESP Fit Center 5056 is at -0.841111 -5.696871 -1.613884 ESP Fit Center 5057 is at -0.436011 -5.641192 -1.613884 ESP Fit Center 5058 is at -0.042267 -5.530869 -1.613884 ESP Fit Center 5059 is at 0.332788 -5.367960 -1.613884 ESP Fit Center 5060 is at 0.682168 -5.155498 -1.613884 ESP Fit Center 5061 is at 0.999362 -4.897441 -1.613884 ESP Fit Center 5062 is at 1.278464 -4.598596 -1.613884 ESP Fit Center 5063 is at 1.514273 -4.264530 -1.613884 ESP Fit Center 5064 is at 1.702397 -3.901467 -1.613884 ESP Fit Center 5065 is at 1.839332 -3.516169 -1.613884 ESP Fit Center 5066 is at -3.899536 -3.118197 -2.016040 ESP Fit Center 5067 is at -3.812089 -3.520183 -2.016040 ESP Fit Center 5068 is at -3.668324 -3.905632 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Fit Center 5212 is at -1.655119 -1.652080 -3.797975 ESP Fit Center 5213 is at -1.979456 -1.924231 -3.797975 ESP Fit Center 5214 is at -2.191151 -2.290899 -3.797975 ESP Fit Center 5215 is at -2.264672 -2.707858 -3.797975 ESP Fit Center 5216 is at -2.191151 -3.124817 -3.797975 ESP Fit Center 5217 is at -1.979456 -3.491485 -3.797975 ESP Fit Center 5218 is at -1.655119 -3.763636 -3.797975 ESP Fit Center 5219 is at -1.257261 -3.908445 -3.797975 ESP Fit Center 5220 is at -0.833869 -3.908445 -3.797975 ESP Fit Center 5221 is at -0.436011 -3.763636 -3.797975 ESP Fit Center 5222 is at -0.111675 -3.491485 -3.797975 ESP Fit Center 5223 is at 0.100021 -3.124817 -3.797975 ESP Fit Center 5224 is at -0.219987 -2.707858 -3.937835 ESP Fit Center 5225 is at -0.330594 -2.295069 -3.937835 ESP Fit Center 5226 is at -0.632776 -1.992887 -3.937835 ESP Fit Center 5227 is at -1.045565 -1.882280 -3.937835 ESP Fit Center 5228 is at -1.458354 -1.992887 -3.937835 ESP Fit Center 5229 is at -1.760537 -2.295069 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4.132593 -3.728436 ESP Fit Center 5321 is at -1.643672 3.941230 -3.728436 ESP Fit Center 5322 is at -1.947662 3.657323 -3.728436 ESP Fit Center 5323 is at -2.163783 3.301929 -3.728436 ESP Fit Center 5324 is at -2.276004 2.901405 -3.728436 ESP Fit Center 5325 is at -2.276004 2.485456 -3.728436 ESP Fit Center 5326 is at -2.163783 2.084932 -3.728436 ESP Fit Center 5327 is at -1.947662 1.729538 -3.728436 ESP Fit Center 5328 is at -1.643672 1.445631 -3.728436 ESP Fit Center 5329 is at -1.274358 1.254268 -3.728436 ESP Fit Center 5330 is at -0.867109 1.169640 -3.728436 ESP Fit Center 5331 is at -0.162863 3.732688 -3.997060 ESP Fit Center 5332 is at -0.554496 3.875231 -3.997060 ESP Fit Center 5333 is at -0.971263 3.875231 -3.997060 ESP Fit Center 5334 is at -1.362895 3.732688 -3.997060 ESP Fit Center 5335 is at -1.682157 3.464796 -3.997060 ESP Fit Center 5336 is at -1.890540 3.103865 -3.997060 ESP Fit Center 5337 is at -1.962911 2.693430 -3.997060 ESP Fit Center 5338 is at -1.890540 2.282995 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ESP Fit Center 5357 is at -0.973577 3.058369 -4.319582 ESP Fit Center 5358 is at -1.184274 2.693430 -4.319582 ESP Fit Center 5359 is at -0.973577 2.328492 -4.319582 ESP Fit Center 5360 is at -0.552182 2.328492 -4.319582 ESP Fit Center 5361 is at -0.762879 2.693430 -4.361085 ESP Fit Center 5362 is at 2.359362 -2.555830 -1.724860 ESP Fit Center 5363 is at 1.973070 -2.826724 -2.146255 ESP Fit Center 5364 is at 2.294100 -2.563262 -2.146255 ESP Fit Center 5365 is at 2.557562 -2.242233 -2.146255 ESP Fit Center 5366 is at 1.793886 -2.793482 -2.551456 ESP Fit Center 5367 is at 2.131400 -2.548264 -2.551456 ESP Fit Center 5368 is at 2.410554 -2.238232 -2.551456 ESP Fit Center 5369 is at 2.619149 -1.876935 -2.551456 ESP Fit Center 5370 is at 2.748068 -1.480164 -2.551456 ESP Fit Center 5371 is at 2.592071 -1.065259 -2.924892 ESP Fit Center 5372 is at 1.507446 -2.714352 -2.924892 ESP Fit Center 5373 is at 1.868578 -2.505852 -2.924892 ESP Fit Center 5374 is at 2.171893 -2.219689 -2.924892 ESP Fit Center 5375 is at 2.401038 -1.871291 -2.924892 ESP Fit Center 5376 is at 2.543660 -1.479439 -2.924892 ESP Fit Center 5377 is at 2.323447 -1.065259 -3.252211 ESP Fit Center 5378 is at 1.106845 -2.560664 -3.252211 ESP Fit Center 5379 is at 1.498777 -2.421371 -3.252211 ESP Fit Center 5380 is at 1.838594 -2.181502 -3.252211 ESP Fit Center 5381 is at 2.101095 -1.858846 -3.252211 ESP Fit Center 5382 is at 2.266809 -1.477334 -3.252211 ESP Fit Center 5383 is at 1.996128 -1.065259 -3.520835 ESP Fit Center 5384 is at 1.923757 -0.654824 -3.520835 ESP Fit Center 5385 is at -0.331564 -0.654824 -3.520835 ESP Fit Center 5386 is at -0.403935 -1.065259 -3.520835 ESP Fit Center 5387 is at 1.004480 -2.247060 -3.520835 ESP Fit Center 5388 is at 1.396112 -2.104517 -3.520835 ESP Fit Center 5389 is at 1.715374 -1.836625 -3.520835 ESP Fit Center 5390 is at 1.923757 -1.475694 -3.520835 ESP Fit Center 5391 is at 1.622693 -1.065259 -3.720440 ESP Fit Center 5392 is at 1.511950 -0.651961 -3.720440 ESP Fit Center 5393 is at 1.209395 -0.349406 -3.720440 ESP Fit Center 5394 is at 0.382798 -0.349406 -3.720440 ESP Fit Center 5395 is at 0.080243 -0.651961 -3.720440 ESP Fit Center 5396 is at -0.030500 -1.065259 -3.720440 ESP Fit Center 5397 is at 0.080243 -1.478557 -3.720440 ESP Fit Center 5398 is at 0.382798 -1.781113 -3.720440 ESP Fit Center 5399 is at 0.796097 -1.891855 -3.720440 ESP Fit Center 5400 is at 1.209395 -1.781113 -3.720440 ESP Fit Center 5401 is at 1.511950 -1.478557 -3.720440 ESP Fit Center 5402 is at 1.217492 -1.065259 -3.843356 ESP Fit Center 5403 is at 1.006794 -0.700320 -3.843356 ESP Fit Center 5404 is at 0.585399 -0.700320 -3.843356 ESP Fit Center 5405 is at 0.374701 -1.065259 -3.843356 ESP Fit Center 5406 is at 0.585399 -1.430198 -3.843356 ESP Fit Center 5407 is at 1.006794 -1.430198 -3.843356 ESP Fit Center 5408 is at 0.796097 -1.065259 -3.884860 ESP Fit Center 5409 is at 1.637586 1.690221 -3.407508 ESP Fit Center 5410 is at 1.864166 0.650963 -3.607114 ESP Fit Center 5411 is at 1.753424 1.064261 -3.607114 ESP Fit Center 5412 is at 1.450868 1.366816 -3.607114 ESP Fit Center 5413 is at 0.210974 0.650963 -3.607114 ESP Fit Center 5414 is at 1.753424 0.237665 -3.607114 ESP Fit Center 5415 is at 1.458965 0.650963 -3.730030 ESP Fit Center 5416 is at 1.248268 1.015902 -3.730030 ESP Fit Center 5417 is at 0.826873 1.015902 -3.730030 ESP Fit Center 5418 is at 0.616175 0.650963 -3.730030 ESP Fit Center 5419 is at 0.826873 0.286024 -3.730030 ESP Fit Center 5420 is at 1.248268 0.286024 -3.730030 ESP Fit Center 5421 is at 1.037570 0.650963 -3.771534 ESP Fit Center 5422 is at 2.699954 -2.387671 -1.591812 ESP Fit Center 5423 is at 1.309145 -3.065851 3.099304 ESP Fit Center 5424 is at 0.891531 -3.253026 2.824146 ESP Fit Center 5425 is at 1.295062 -3.394228 2.824146 ESP Fit Center 5426 is at 0.627724 -3.424606 2.501978 ESP Fit Center 5427 is at 1.005467 -3.597116 2.501978 ESP Fit Center 5428 is at 1.409032 -3.695020 2.501978 ESP Fit Center 5429 is at 0.517038 -3.616320 2.140732 ESP Fit Center 5430 is at 0.897093 -3.793542 2.140732 ESP Fit Center 5431 is at 1.302148 -3.902077 2.140732 ESP Fit Center 5432 is at 1.719896 -3.938625 2.140732 ESP Fit Center 5433 is at 0.315414 -3.682627 1.749304 ESP Fit Center 5434 is at 0.688402 -3.884478 1.749304 ESP Fit Center 5435 is at 1.089526 -4.022184 1.749304 ESP Fit Center 5436 is at 2.743850 -1.697742 4.457438 ESP Fit Center 5437 is at 3.166223 -1.697742 4.457438 ESP Fit Center 5438 is at 3.789382 -1.331957 4.358532 ESP Fit Center 5439 is at 2.232472 -1.749130 4.358532 ESP Fit Center 5440 is at 2.537864 -2.054521 4.358532 ESP Fit Center 5441 is at 3.677601 -1.749130 4.358532 ESP Fit Center 5442 is at 4.180811 -1.331957 4.196397 ESP Fit Center 5443 is at 1.803185 -1.751196 4.196397 ESP Fit Center 5444 is at 2.016039 -2.119869 4.196397 ESP Fit Center 5445 is at 2.342149 -2.393508 4.196397 ESP Fit Center 5446 is at 4.106888 -1.751196 4.196397 ESP Fit Center 5447 is at 4.542057 -1.331957 3.975025 ESP Fit Center 5448 is at 4.487980 -0.921206 3.975025 ESP Fit Center 5449 is at 1.422093 -1.742708 3.975025 ESP Fit Center 5450 is at 1.580637 -2.125467 3.975025 ESP Fit Center 5451 is at 1.832844 -2.454149 3.975025 ESP Fit Center 5452 is at 4.487980 -1.742708 3.975025 ESP Fit Center 5453 is at 4.864225 -1.331957 3.699867 ESP Fit Center 5454 is at 4.816358 -0.907122 3.699867 ESP Fit Center 5455 is at 4.675156 -0.503591 3.699867 ESP Fit Center 5456 is at 1.093716 -1.756791 3.699867 ESP Fit Center 5457 is at 1.234917 -2.160322 3.699867 ESP Fit Center 5458 is at 1.462373 -2.522316 3.699867 ESP Fit Center 5459 is at 1.764677 -2.824620 3.699867 ESP Fit Center 5460 is at 4.816358 -1.756791 3.699867 ESP Fit Center 5461 is at 5.139382 -1.331957 3.377699 ESP Fit Center 5462 is at 5.099908 -0.918566 3.377699 ESP Fit Center 5463 is at 4.982913 -0.520117 3.377699 ESP Fit Center 5464 is at 1.238025 -2.682230 3.377699 ESP Fit Center 5465 is at 1.524594 -2.982775 3.377699 ESP Fit Center 5466 is at 5.099908 -1.745347 3.377699 ESP Fit Center 5467 is at 5.324206 -1.749705 3.016454 ESP Fit Center 5468 is at 3.777840 -3.592592 0.564905 ESP Fit Center 5469 is at 5.498875 -1.151192 2.992733 ESP Fit Center 5470 is at 5.458595 -1.930801 2.717576 ESP Fit Center 5471 is at 5.686051 -1.568807 2.717576 ESP Fit Center 5472 is at 5.827253 -1.165276 2.717576 ESP Fit Center 5473 is at 5.546817 -2.247813 2.395408 ESP Fit Center 5474 is at 5.803520 -1.921388 2.395408 ESP Fit Center 5475 is at 5.993808 -1.552281 2.395408 ESP Fit Center 5476 is at 3.548183 1.628728 2.034162 ESP Fit Center 5477 is at 3.143128 1.520194 2.034162 ESP Fit Center 5478 is at 5.512297 -2.583328 2.034162 ESP Fit Center 5479 is at 5.808818 -2.286807 2.034162 ESP Fit Center 5480 is at 6.049344 -1.943300 2.034162 ESP Fit Center 5481 is at 6.226567 -1.563245 2.034162 ESP Fit Center 5482 is at 6.224291 -1.962604 1.642733 ESP Fit Center 5483 is at 6.394651 -1.574222 1.642733 ESP Fit Center 5484 is at 6.502170 -1.564515 1.230761 ESP Fit Center 5485 is at 6.599858 -1.157614 1.230761 ESP Fit Center 5486 is at 6.634289 -1.152594 0.808388 ESP Fit Center 5487 is at 6.632690 -0.740441 0.386015 ESP Fit Center 5488 is at 6.533784 -0.740441 -0.025958 ESP Fit Center 5489 is at 6.498762 -0.317787 -0.025958 ESP Fit Center 5490 is at 6.335101 -0.322693 -0.417387 ESP Fit Center 5491 is at 6.226567 0.082363 -0.417387 ESP Fit Center 5492 is at 6.110803 -0.327051 -0.778633 ESP Fit Center 5493 is at 3.114960 1.561973 1.965183 ESP Fit Center 5494 is at 3.539795 1.836274 1.690025 ESP Fit Center 5495 is at 3.629939 2.097725 1.367857 ESP Fit Center 5496 is at 3.114960 -2.430765 -1.444938 ESP Fit Center 5497 is at 3.532709 -2.394217 -1.444938 ESP Fit Center 5498 is at 2.804096 -2.187160 -1.806183 ESP Fit Center 5499 is at 3.218896 -2.206919 -1.806183 ESP Fit Center 5500 is at 3.629939 -2.147820 -1.806183 ESP Fit Center 5501 is at 4.022371 -2.011998 -1.806183 ESP Fit Center 5502 is at 3.114960 -1.934236 -2.128352 ESP Fit Center 5503 is at 3.539795 -1.886368 -2.128352 ESP Fit Center 5504 is at 3.943326 -1.745167 -2.128352 ESP Fit Center 5505 is at 3.114960 -1.612068 -2.403509 ESP Fit Center 5506 is at 0.797890 -1.513120 3.639283 ESP Fit Center 5507 is at 0.587192 -1.148181 3.597779 ESP Fit Center 5508 is at 0.376494 -1.513120 3.597779 ESP Fit Center 5509 is at 0.587192 -1.878059 3.597779 ESP Fit Center 5510 is at 1.008587 -1.878059 3.597779 ESP Fit Center 5511 is at 0.384591 -0.797267 3.474863 ESP Fit Center 5512 is at 0.082036 -1.099822 3.474863 ESP Fit Center 5513 is at -0.028707 -1.513120 3.474863 ESP Fit Center 5514 is at 0.082036 -1.926418 3.474863 ESP Fit Center 5515 is at 0.384591 -2.228974 3.474863 ESP Fit Center 5516 is at 0.797890 -2.339717 3.474863 ESP Fit Center 5517 is at 0.589506 -0.331320 3.275257 ESP Fit Center 5518 is at 0.197874 -0.473862 3.275257 ESP Fit Center 5519 is at -0.121388 -0.741755 3.275257 ESP Fit Center 5520 is at -0.329771 -1.102685 3.275257 ESP Fit Center 5521 is at -0.402142 -1.513120 3.275257 ESP Fit Center 5522 is at -0.329771 -1.923555 3.275257 ESP Fit Center 5523 is at -0.121388 -2.284486 3.275257 ESP Fit Center 5524 is at 0.197874 -2.552378 3.275257 ESP Fit Center 5525 is at 0.589506 -2.694921 3.275257 ESP Fit Center 5526 is at 1.006273 -2.694921 3.275257 ESP Fit Center 5527 is at 0.693659 0.010670 3.006633 ESP Fit Center 5528 is at 0.286411 -0.073957 3.006633 ESP Fit Center 5529 is at -0.082904 -0.265321 3.006633 ESP Fit Center 5530 is at -0.386894 -0.549228 3.006633 ESP Fit Center 5531 is at -0.603014 -0.904622 3.006633 ESP Fit Center 5532 is at -0.715235 -1.305146 3.006633 ESP Fit Center 5533 is at -0.715235 -1.721095 3.006633 ESP Fit Center 5534 is at -0.603014 -2.121618 3.006633 ESP Fit Center 5535 is at -0.386894 -2.477013 3.006633 ESP Fit Center 5536 is at -0.082904 -2.760920 3.006633 ESP Fit Center 5537 is at 0.286411 -2.952283 3.006633 ESP Fit Center 5538 is at 0.693659 -3.036910 3.006633 ESP Fit Center 5539 is at 0.693463 0.279816 2.679314 ESP Fit Center 5540 is at 0.282798 0.207404 2.679314 ESP Fit Center 5541 is at -0.100098 0.042239 2.679314 ESP Fit Center 5542 is at -0.434583 -0.206776 2.679314 ESP Fit Center 5543 is at -0.702625 -0.526216 2.679314 ESP Fit Center 5544 is at -0.889774 -0.898861 2.679314 ESP Fit Center 5545 is at -0.985941 -1.304620 2.679314 ESP Fit Center 5546 is at -0.985941 -1.721620 2.679314 ESP Fit Center 5547 is at -0.889774 -2.127380 2.679314 ESP Fit Center 5548 is at -0.702625 -2.500024 2.679314 ESP Fit Center 5549 is at -0.434583 -2.819465 2.679314 ESP Fit Center 5550 is at -0.100098 -3.068480 2.679314 ESP Fit Center 5551 is at 0.282798 -3.233645 2.679314 ESP Fit Center 5552 is at 0.693463 -3.306056 2.679314 ESP Fit Center 5553 is at 0.181221 0.384789 2.305879 ESP Fit Center 5554 is at -1.154082 -1.928025 2.305879 ESP Fit Center 5555 is at -1.025163 -2.324796 2.305879 ESP Fit Center 5556 is at -0.816568 -2.686093 2.305879 ESP Fit Center 5557 is at -0.537414 -2.996125 2.305879 ESP Fit Center 5558 is at -0.199900 -3.241343 2.305879 ESP Fit Center 5559 is at 0.181221 -3.411029 2.305879 ESP Fit Center 5560 is at -0.012824 -3.470356 1.900678 ESP Fit Center 5561 is at 0.865855 -4.034222 1.579487 ESP Fit Center 5562 is at 1.248751 -4.199387 1.579487 ESP Fit Center 5563 is at 1.659416 -4.271798 1.579487 ESP Fit Center 5564 is at 2.075710 -4.247552 1.579487 ESP Fit Center 5565 is at 0.766052 -4.207085 1.206051 ESP Fit Center 5566 is at 1.147174 -4.376771 1.206051 ESP Fit Center 5567 is at 1.555247 -4.463510 1.206051 ESP Fit Center 5568 is at 1.972437 -4.463510 1.206051 ESP Fit Center 5569 is at 2.380510 -4.376771 1.206051 ESP Fit Center 5570 is at 2.761632 -4.207085 1.206051 ESP Fit Center 5571 is at 0.953129 -4.436097 0.800850 ESP Fit Center 5572 is at 1.350544 -4.556652 0.800850 ESP Fit Center 5573 is at 1.763842 -4.597358 0.800850 ESP Fit Center 5574 is at 2.177140 -4.556652 0.800850 ESP Fit Center 5575 is at 2.574556 -4.436097 0.800850 ESP Fit Center 5576 is at 2.940816 -4.240327 0.800850 ESP Fit Center 5577 is at 3.261845 -3.976865 0.800850 ESP Fit Center 5578 is at 1.057376 -4.520064 0.379455 ESP Fit Center 5579 is at 1.456442 -4.616876 0.379455 ESP Fit Center 5580 is at 1.866619 -4.636416 0.379455 ESP Fit Center 5581 is at 2.273082 -4.577975 0.379455 ESP Fit Center 5582 is at 2.661139 -4.443667 0.379455 ESP Fit Center 5583 is at 3.016765 -4.238346 0.379455 ESP Fit Center 5584 is at 3.327108 -3.969433 0.379455 ESP Fit Center 5585 is at 3.580950 -3.646646 0.379455 ESP Fit Center 5586 is at 1.350544 -4.556652 -0.041940 ESP Fit Center 5587 is at 1.763842 -4.597358 -0.041940 ESP Fit Center 5588 is at 2.177140 -4.556652 -0.041940 ESP Fit Center 5589 is at 2.574556 -4.436097 -0.041940 ESP Fit Center 5590 is at 2.940816 -4.240327 -0.041940 ESP Fit Center 5591 is at 3.261845 -3.976865 -0.041940 ESP Fit Center 5592 is at 3.525308 -3.655836 -0.041940 ESP Fit Center 5593 is at 1.555247 -4.463510 -0.447141 ESP Fit Center 5594 is at 1.972437 -4.463510 -0.447141 ESP Fit Center 5595 is at 2.380510 -4.376771 -0.447141 ESP Fit Center 5596 is at 2.761632 -4.207085 -0.447141 ESP Fit Center 5597 is at 3.099146 -3.961867 -0.447141 ESP Fit Center 5598 is at 3.378300 -3.651835 -0.447141 ESP Fit Center 5599 is at 1.659416 -4.271798 -0.820577 ESP Fit Center 5600 is at 2.075710 -4.247552 -0.820577 ESP Fit Center 5601 is at 2.475191 -4.127955 -0.820577 ESP Fit Center 5602 is at 2.836324 -3.919455 -0.820577 ESP Fit Center 5603 is at 3.139639 -3.633292 -0.820577 ESP Fit Center 5604 is at 3.368784 -3.284894 -0.820577 ESP Fit Center 5605 is at 2.074591 -3.974267 -1.147896 ESP Fit Center 5606 is at 2.466523 -3.834974 -1.147896 ESP Fit Center 5607 is at 2.806340 -3.595105 -1.147896 ESP Fit Center 5608 is at 3.068840 -3.272449 -1.147896 ESP Fit Center 5609 is at 3.234555 -2.890936 -1.147896 ESP Fit Center 5610 is at 2.963874 -2.478862 -1.416519 ESP Fit Center 5611 is at 1.972226 -3.660663 -1.416519 ESP Fit Center 5612 is at 2.363858 -3.518120 -1.416519 ESP Fit Center 5613 is at 2.683120 -3.250228 -1.416519 ESP Fit Center 5614 is at 2.891503 -2.889297 -1.416519 ESP Fit Center 5615 is at 2.590439 -2.478862 -1.616125 ESP Fit Center 5616 is at 2.177140 -3.194716 -1.616125 ESP Fit Center 5617 is at 2.479696 -2.892160 -1.616125 ESP Fit Center 5618 is at 2.731947 -0.622203 4.739886 ESP Fit Center 5619 is at 3.153342 -0.622203 4.698383 ESP Fit Center 5620 is at 2.942644 -0.257264 4.698383 ESP Fit Center 5621 is at 2.521249 -0.257264 4.698383 ESP Fit Center 5622 is at 2.310552 -0.622203 4.698383 ESP Fit Center 5623 is at 2.521249 -0.987142 4.698383 ESP Fit Center 5624 is at 2.942644 -0.987142 4.698383 ESP Fit Center 5625 is at 3.558543 -0.622203 4.575466 ESP Fit Center 5626 is at 3.447800 -0.208905 4.575466 ESP Fit Center 5627 is at 3.145245 0.093650 4.575466 ESP Fit Center 5628 is at 2.731947 0.204393 4.575466 ESP Fit Center 5629 is at 2.318649 0.093650 4.575466 ESP Fit Center 5630 is at 2.016093 -0.208905 4.575466 ESP Fit Center 5631 is at 1.905351 -0.622203 4.575466 ESP Fit Center 5632 is at 2.016093 -1.035501 4.575466 ESP Fit Center 5633 is at 2.318649 -1.338056 4.575466 ESP Fit Center 5634 is at 2.731947 -1.448799 4.575466 ESP Fit Center 5635 is at 3.145245 -1.338056 4.575466 ESP Fit Center 5636 is at 3.447800 -1.035501 4.575466 ESP Fit Center 5637 is at 3.931978 -0.622203 4.375861 ESP Fit Center 5638 is at 3.859608 -0.211768 4.375861 ESP Fit Center 5639 is at 3.651224 0.149162 4.375861 ESP Fit Center 5640 is at 3.331963 0.417055 4.375861 ESP Fit Center 5641 is at 2.940330 0.559597 4.375861 ESP Fit Center 5642 is at 2.523563 0.559597 4.375861 ESP Fit Center 5643 is at 2.131931 0.417055 4.375861 ESP Fit Center 5644 is at 1.812669 0.149162 4.375861 ESP Fit Center 5645 is at 1.604286 -0.211768 4.375861 ESP Fit Center 5646 is at 1.531915 -0.622203 4.375861 ESP Fit Center 5647 is at 1.604286 -1.032638 4.375861 ESP Fit Center 5648 is at 1.812669 -1.393569 4.375861 ESP Fit Center 5649 is at 2.131931 -1.661461 4.375861 ESP Fit Center 5650 is at 3.859608 -1.032638 4.375861 ESP Fit Center 5651 is at 4.259297 -0.622203 4.107237 ESP Fit Center 5652 is at 4.202659 -0.210129 4.107237 ESP Fit Center 5653 is at 4.036945 0.171384 4.107237 ESP Fit Center 5654 is at 3.774445 0.494040 4.107237 ESP Fit Center 5655 is at 3.434627 0.733909 4.107237 ESP Fit Center 5656 is at 3.042695 0.873202 4.107237 ESP Fit Center 5657 is at 2.627717 0.901587 4.107237 ESP Fit Center 5658 is at 2.220468 0.816960 4.107237 ESP Fit Center 5659 is at 1.851154 0.625596 4.107237 ESP Fit Center 5660 is at 1.547164 0.341690 4.107237 ESP Fit Center 5661 is at 1.331044 -0.013705 4.107237 ESP Fit Center 5662 is at 1.218822 -0.414229 4.107237 ESP Fit Center 5663 is at 1.218822 -0.830177 4.107237 ESP Fit Center 5664 is at 1.331044 -1.230701 4.107237 ESP Fit Center 5665 is at 1.547164 -1.586096 4.107237 ESP Fit Center 5666 is at 4.479510 -0.208023 3.779918 ESP Fit Center 5667 is at 4.336888 0.183829 3.779918 ESP Fit Center 5668 is at 4.107743 0.532227 3.779918 ESP Fit Center 5669 is at 3.804428 0.818390 3.779918 ESP Fit Center 5670 is at 3.443296 1.026890 3.779918 ESP Fit Center 5671 is at 3.043814 1.146486 3.779918 ESP Fit Center 5672 is at 2.627520 1.170733 3.779918 ESP Fit Center 5673 is at 2.216856 1.098322 3.779918 ESP Fit Center 5674 is at 1.833960 0.933156 3.779918 ESP Fit Center 5675 is at 1.499474 0.684141 3.779918 ESP Fit Center 5676 is at 1.231432 0.364701 3.779918 ESP Fit Center 5677 is at 1.044283 -0.007944 3.779918 ESP Fit Center 5678 is at 0.948116 -0.413703 3.779918 ESP Fit Center 5679 is at 0.948116 -0.830703 3.779918 ESP Fit Center 5680 is at 1.044283 -1.236462 3.779918 ESP Fit Center 5681 is at 4.555000 0.189472 3.406483 ESP Fit Center 5682 is at 4.346405 0.550769 3.406483 ESP Fit Center 5683 is at 4.067250 0.860802 3.406483 ESP Fit Center 5684 is at 3.729737 1.106020 3.406483 ESP Fit Center 5685 is at 3.348615 1.275706 3.406483 ESP Fit Center 5686 is at 2.940542 1.362445 3.406483 ESP Fit Center 5687 is at 2.523352 1.362445 3.406483 ESP Fit Center 5688 is at 2.115279 1.275706 3.406483 ESP Fit Center 5689 is at 1.734157 1.106020 3.406483 ESP Fit Center 5690 is at 1.396643 0.860802 3.406483 ESP Fit Center 5691 is at 1.117489 0.550769 3.406483 ESP Fit Center 5692 is at 0.908894 0.189472 3.406483 ESP Fit Center 5693 is at 0.779975 -0.207299 3.406483 ESP Fit Center 5694 is at 3.908920 1.139262 3.001282 ESP Fit Center 5695 is at 3.542660 1.335032 3.001282 ESP Fit Center 5696 is at 3.145245 1.455587 3.001282 ESP Fit Center 5697 is at 2.731947 1.496293 3.001282 ESP Fit Center 5698 is at 2.318649 1.455587 3.001282 ESP Fit Center 5699 is at 1.921233 1.335032 3.001282 ESP Fit Center 5700 is at 1.554973 1.139262 3.001282 ESP Fit Center 5701 is at 1.233944 0.875800 3.001282 ESP Fit Center 5702 is at 0.970482 0.554770 3.001282 ESP Fit Center 5703 is at 0.774711 0.188510 3.001282 ESP Fit Center 5704 is at 3.629243 1.342602 2.579886 ESP Fit Center 5705 is at 3.241186 1.476910 2.579886 ESP Fit Center 5706 is at 2.834724 1.535350 2.579886 ESP Fit Center 5707 is at 2.424547 1.515811 2.579886 ESP Fit Center 5708 is at 2.025480 1.418999 2.579886 ESP Fit Center 5709 is at 1.034072 0.713020 2.579886 ESP Fit Center 5710 is at 3.145245 1.455587 2.158491 ESP Fit Center 5711 is at 2.731947 1.496293 2.158491 ESP Fit Center 5712 is at 3.287871 -2.253805 4.410543 ESP Fit Center 5713 is at 3.709266 -2.253805 4.369039 ESP Fit Center 5714 is at 2.866475 -2.253805 4.369039 ESP Fit Center 5715 is at 3.077173 -2.618744 4.369039 ESP Fit Center 5716 is at 3.498568 -2.618744 4.369039 ESP Fit Center 5717 is at 4.114467 -2.253805 4.246123 ESP Fit Center 5718 is at 4.003724 -1.840507 4.246123 ESP Fit Center 5719 is at 2.572017 -2.667103 4.246123 ESP Fit Center 5720 is at 2.874572 -2.969658 4.246123 ESP Fit Center 5721 is at 3.287871 -3.080401 4.246123 ESP Fit Center 5722 is at 3.701169 -2.969658 4.246123 ESP Fit Center 5723 is at 4.003724 -2.667103 4.246123 ESP Fit Center 5724 is at 4.487902 -2.253805 4.046517 ESP Fit Center 5725 is at 4.415531 -1.843370 4.046517 ESP Fit Center 5726 is at 2.160210 -2.664240 4.046517 ESP Fit Center 5727 is at 2.368593 -3.025171 4.046517 ESP Fit Center 5728 is at 2.687855 -3.293063 4.046517 ESP Fit Center 5729 is at 3.079487 -3.435606 4.046517 ESP Fit Center 5730 is at 3.496254 -3.435606 4.046517 ESP Fit Center 5731 is at 3.887886 -3.293063 4.046517 ESP Fit Center 5732 is at 4.207148 -3.025171 4.046517 ESP Fit Center 5733 is at 4.415531 -2.664240 4.046517 ESP Fit Center 5734 is at 4.815221 -2.253805 3.777894 ESP Fit Center 5735 is at 4.758583 -1.841731 3.777894 ESP Fit Center 5736 is at 1.886967 -2.862303 3.777894 ESP Fit Center 5737 is at 2.103087 -3.217698 3.777894 ESP Fit Center 5738 is at 2.407077 -3.501605 3.777894 ESP Fit Center 5739 is at 2.776392 -3.692968 3.777894 ESP Fit Center 5740 is at 3.183640 -3.777595 3.777894 ESP Fit Center 5741 is at 3.598619 -3.749210 3.777894 ESP Fit Center 5742 is at 3.990551 -3.609917 3.777894 ESP Fit Center 5743 is at 4.330369 -3.370048 3.777894 ESP Fit Center 5744 is at 4.592869 -3.047392 3.777894 ESP Fit Center 5745 is at 4.758583 -2.665879 3.777894 ESP Fit Center 5746 is at 5.083845 -2.253805 3.450575 ESP Fit Center 5747 is at 5.035434 -1.839625 3.450575 ESP Fit Center 5748 is at 1.787356 -3.240709 3.450575 ESP Fit Center 5749 is at 2.055398 -3.560149 3.450575 ESP Fit Center 5750 is at 2.389883 -3.809164 3.450575 ESP Fit Center 5751 is at 2.772779 -3.974330 3.450575 ESP Fit Center 5752 is at 3.183444 -4.046741 3.450575 ESP Fit Center 5753 is at 3.599738 -4.022495 3.450575 ESP Fit Center 5754 is at 3.999220 -3.902898 3.450575 ESP Fit Center 5755 is at 4.360352 -3.694398 3.450575 ESP Fit Center 5756 is at 4.663667 -3.408235 3.450575 ESP Fit Center 5757 is at 4.892812 -3.059837 3.450575 ESP Fit Center 5758 is at 5.035434 -2.667985 3.450575 ESP Fit Center 5759 is at 5.283450 -2.253805 3.077139 ESP Fit Center 5760 is at 1.673413 -3.426777 3.077139 ESP Fit Center 5761 is at 1.952567 -3.736810 3.077139 ESP Fit Center 5762 is at 2.290081 -3.982028 3.077139 ESP Fit Center 5763 is at 2.671202 -4.151714 3.077139 ESP Fit Center 5764 is at 3.079276 -4.238453 3.077139 ESP Fit Center 5765 is at 3.496465 -4.238453 3.077139 ESP Fit Center 5766 is at 3.904539 -4.151714 3.077139 ESP Fit Center 5767 is at 4.285660 -3.982028 3.077139 ESP Fit Center 5768 is at 4.623174 -3.736810 3.077139 ESP Fit Center 5769 is at 4.902328 -3.426777 3.077139 ESP Fit Center 5770 is at 5.110923 -3.065480 3.077139 ESP Fit Center 5771 is at 5.239842 -2.668709 3.077139 ESP Fit Center 5772 is at 5.406367 -2.253805 2.671938 ESP Fit Center 5773 is at 1.789867 -3.751808 2.671938 ESP Fit Center 5774 is at 2.110897 -4.015270 2.671938 ESP Fit Center 5775 is at 2.477157 -4.211040 2.671938 ESP Fit Center 5776 is at 2.874572 -4.331595 2.671938 ESP Fit Center 5777 is at 3.287871 -4.372301 2.671938 ESP Fit Center 5778 is at 3.701169 -4.331595 2.671938 ESP Fit Center 5779 is at 4.098584 -4.211040 2.671938 ESP Fit Center 5780 is at 4.464844 -4.015270 2.671938 ESP Fit Center 5781 is at 4.785874 -3.751808 2.671938 ESP Fit Center 5782 is at 5.049336 -3.430778 2.671938 ESP Fit Center 5783 is at 5.245106 -3.064518 2.671938 ESP Fit Center 5784 is at 5.365660 -2.667103 2.671938 ESP Fit Center 5785 is at 1.873371 -3.886224 2.250543 ESP Fit Center 5786 is at 2.207871 -4.124420 2.250543 ESP Fit Center 5787 is at 2.581404 -4.295007 2.250543 ESP Fit Center 5788 is at 2.980470 -4.391819 2.250543 ESP Fit Center 5789 is at 3.390647 -4.411358 2.250543 ESP Fit Center 5790 is at 3.797110 -4.352918 2.250543 ESP Fit Center 5791 is at 4.185167 -4.218610 2.250543 ESP Fit Center 5792 is at 4.540793 -4.013289 2.250543 ESP Fit Center 5793 is at 4.851136 -3.744376 2.250543 ESP Fit Center 5794 is at 5.104978 -3.421589 2.250543 ESP Fit Center 5795 is at 5.293145 -3.056596 2.250543 ESP Fit Center 5796 is at 5.408837 -2.662588 2.250543 ESP Fit Center 5797 is at 2.477157 -4.211040 1.829148 ESP Fit Center 5798 is at 2.874572 -4.331595 1.829148 ESP Fit Center 5799 is at 3.287871 -4.372301 1.829148 ESP Fit Center 5800 is at 3.701169 -4.331595 1.829148 ESP Fit Center 5801 is at 4.098584 -4.211040 1.829148 ESP Fit Center 5802 is at 4.464844 -4.015270 1.829148 ESP Fit Center 5803 is at 4.785874 -3.751808 1.829148 ESP Fit Center 5804 is at 5.049336 -3.430778 1.829148 ESP Fit Center 5805 is at 5.245106 -3.064518 1.829148 ESP Fit Center 5806 is at 2.671202 -4.151714 1.423947 ESP Fit Center 5807 is at 3.079276 -4.238453 1.423947 ESP Fit Center 5808 is at 3.496465 -4.238453 1.423947 ESP Fit Center 5809 is at 3.904539 -4.151714 1.423947 ESP Fit Center 5810 is at 4.285660 -3.982028 1.423947 ESP Fit Center 5811 is at 4.623174 -3.736810 1.423947 ESP Fit Center 5812 is at 4.902328 -3.426777 1.423947 ESP Fit Center 5813 is at 3.183444 -4.046741 1.050511 ESP Fit Center 5814 is at 3.599738 -4.022495 1.050511 ESP Fit Center 5815 is at 3.999220 -3.902898 1.050511 ESP Fit Center 5816 is at 4.360352 -3.694398 1.050511 ESP Fit Center 5817 is at 3.598619 -3.749210 0.723192 ESP Fit Center 5818 is at 3.990551 -3.609917 0.723192 ESP Fit Center 5819 is at 5.104884 -0.063463 3.368543 ESP Fit Center 5820 is at 4.894187 0.301476 3.368543 ESP Fit Center 5821 is at 5.510085 -0.063463 3.245627 ESP Fit Center 5822 is at 5.399343 0.349835 3.245627 ESP Fit Center 5823 is at 5.096787 0.652390 3.245627 ESP Fit Center 5824 is at 4.683489 0.763133 3.245627 ESP Fit Center 5825 is at 5.399343 -0.476761 3.245627 ESP Fit Center 5826 is at 5.883521 -0.063463 3.046022 ESP Fit Center 5827 is at 5.811150 0.346972 3.046022 ESP Fit Center 5828 is at 5.602767 0.707902 3.046022 ESP Fit Center 5829 is at 5.283505 0.975795 3.046022 ESP Fit Center 5830 is at 4.891873 1.118337 3.046022 ESP Fit Center 5831 is at 4.475106 1.118337 3.046022 ESP Fit Center 5832 is at 5.602767 -0.834829 3.046022 ESP Fit Center 5833 is at 5.811150 -0.473898 3.046022 ESP Fit Center 5834 is at 6.210840 -0.063463 2.777398 ESP Fit Center 5835 is at 6.154202 0.348611 2.777398 ESP Fit Center 5836 is at 5.988487 0.730124 2.777398 ESP Fit Center 5837 is at 5.725987 1.052780 2.777398 ESP Fit Center 5838 is at 5.386170 1.292649 2.777398 ESP Fit Center 5839 is at 4.994238 1.431942 2.777398 ESP Fit Center 5840 is at 4.579259 1.460327 2.777398 ESP Fit Center 5841 is at 4.172011 1.375700 2.777398 ESP Fit Center 5842 is at 5.988487 -0.857050 2.777398 ESP Fit Center 5843 is at 6.154202 -0.475537 2.777398 ESP Fit Center 5844 is at 6.479464 -0.063463 2.450079 ESP Fit Center 5845 is at 6.431053 0.350717 2.450079 ESP Fit Center 5846 is at 6.288431 0.742569 2.450079 ESP Fit Center 5847 is at 6.059285 1.090967 2.450079 ESP Fit Center 5848 is at 5.755971 1.377130 2.450079 ESP Fit Center 5849 is at 5.394838 1.585629 2.450079 ESP Fit Center 5850 is at 4.995357 1.705226 2.450079 ESP Fit Center 5851 is at 4.579063 1.729473 2.450079 ESP Fit Center 5852 is at 4.168398 1.657061 2.450079 ESP Fit Center 5853 is at 3.785502 1.491896 2.450079 ESP Fit Center 5854 is at 6.059285 -1.217893 2.450079 ESP Fit Center 5855 is at 6.288431 -0.869495 2.450079 ESP Fit Center 5856 is at 6.431053 -0.477643 2.450079 ESP Fit Center 5857 is at 6.679069 -0.063463 2.076643 ESP Fit Center 5858 is at 6.635461 0.351441 2.076643 ESP Fit Center 5859 is at 6.506542 0.748212 2.076643 ESP Fit Center 5860 is at 6.297947 1.109509 2.076643 ESP Fit Center 5861 is at 6.018793 1.419542 2.076643 ESP Fit Center 5862 is at 5.681279 1.664760 2.076643 ESP Fit Center 5863 is at 5.300157 1.834446 2.076643 ESP Fit Center 5864 is at 4.892084 1.921185 2.076643 ESP Fit Center 5865 is at 4.474894 1.921185 2.076643 ESP Fit Center 5866 is at 4.066821 1.834446 2.076643 ESP Fit Center 5867 is at 3.685699 1.664760 2.076643 ESP Fit Center 5868 is at 6.297947 -1.236436 2.076643 ESP Fit Center 5869 is at 6.506542 -0.875139 2.076643 ESP Fit Center 5870 is at 6.635461 -0.478368 2.076643 ESP Fit Center 5871 is at 6.801985 -0.063463 1.671442 ESP Fit Center 5872 is at 6.761279 0.349835 1.671442 ESP Fit Center 5873 is at 6.640724 0.747250 1.671442 ESP Fit Center 5874 is at 6.444954 1.113510 1.671442 ESP Fit Center 5875 is at 6.181492 1.434540 1.671442 ESP Fit Center 5876 is at 5.860463 1.698002 1.671442 ESP Fit Center 5877 is at 5.494203 1.893772 1.671442 ESP Fit Center 5878 is at 5.096787 2.014327 1.671442 ESP Fit Center 5879 is at 4.683489 2.055033 1.671442 ESP Fit Center 5880 is at 4.270191 2.014327 1.671442 ESP Fit Center 5881 is at 3.872776 1.893772 1.671442 ESP Fit Center 5882 is at 6.640724 -0.874177 1.671442 ESP Fit Center 5883 is at 6.761279 -0.476761 1.671442 ESP Fit Center 5884 is at 6.843489 -0.063463 1.250047 ESP Fit Center 5885 is at 6.804455 0.345320 1.250047 ESP Fit Center 5886 is at 6.688764 0.739328 1.250047 ESP Fit Center 5887 is at 6.500597 1.104321 1.250047 ESP Fit Center 5888 is at 6.246755 1.427108 1.250047 ESP Fit Center 5889 is at 5.936412 1.696021 1.250047 ESP Fit Center 5890 is at 5.580786 1.901342 1.250047 ESP Fit Center 5891 is at 5.192728 2.035650 1.250047 ESP Fit Center 5892 is at 4.786266 2.094090 1.250047 ESP Fit Center 5893 is at 4.376089 2.074551 1.250047 ESP Fit Center 5894 is at 6.688764 -0.866254 1.250047 ESP Fit Center 5895 is at 6.804455 -0.472246 1.250047 ESP Fit Center 5896 is at 6.801985 -0.063463 0.828652 ESP Fit Center 5897 is at 6.761279 0.349835 0.828652 ESP Fit Center 5898 is at 6.640724 0.747250 0.828652 ESP Fit Center 5899 is at 6.444954 1.113510 0.828652 ESP Fit Center 5900 is at 6.181492 1.434540 0.828652 ESP Fit Center 5901 is at 5.860463 1.698002 0.828652 ESP Fit Center 5902 is at 5.494203 1.893772 0.828652 ESP Fit Center 5903 is at 5.096787 2.014327 0.828652 ESP Fit Center 5904 is at 6.761279 -0.476761 0.828652 ESP Fit Center 5905 is at 6.679069 -0.063463 0.423451 ESP Fit Center 5906 is at 6.635461 0.351441 0.423451 ESP Fit Center 5907 is at 6.506542 0.748212 0.423451 ESP Fit Center 5908 is at 6.297947 1.109509 0.423451 ESP Fit Center 5909 is at 6.018793 1.419542 0.423451 ESP Fit Center 5910 is at 5.681279 1.664760 0.423451 ESP Fit Center 5911 is at 6.635461 -0.478368 0.423451 ESP Fit Center 5912 is at 6.479464 -0.063463 0.050015 ESP Fit Center 5913 is at 6.431053 0.350717 0.050015 ESP Fit Center 5914 is at 6.288431 0.742569 0.050015 ESP Fit Center 5915 is at 6.059285 1.090967 0.050015 ESP Fit Center 5916 is at 5.232440 -3.169654 1.496500 ESP Fit Center 5917 is at 5.593572 -2.961154 1.496500 ESP Fit Center 5918 is at 5.896887 -2.674991 1.496500 ESP Fit Center 5919 is at 6.126032 -2.326593 1.496500 ESP Fit Center 5920 is at 4.729685 -3.505209 1.123065 ESP Fit Center 5921 is at 5.137759 -3.418470 1.123065 ESP Fit Center 5922 is at 5.518880 -3.248784 1.123065 ESP Fit Center 5923 is at 5.856394 -3.003566 1.123065 ESP Fit Center 5924 is at 6.135548 -2.693533 1.123065 ESP Fit Center 5925 is at 6.344143 -2.332237 1.123065 ESP Fit Center 5926 is at 6.473062 -1.935465 1.123065 ESP Fit Center 5927 is at 6.639587 -1.520561 0.717863 ESP Fit Center 5928 is at 4.107792 -3.598351 0.717863 ESP Fit Center 5929 is at 4.521091 -3.639057 0.717863 ESP Fit Center 5930 is at 4.934389 -3.598351 0.717863 ESP Fit Center 5931 is at 5.331804 -3.477796 0.717863 ESP Fit Center 5932 is at 5.698064 -3.282026 0.717863 ESP Fit Center 5933 is at 6.019094 -3.018564 0.717863 ESP Fit Center 5934 is at 6.282556 -2.697535 0.717863 ESP Fit Center 5935 is at 6.478326 -2.331275 0.717863 ESP Fit Center 5936 is at 6.598880 -1.933859 0.717863 ESP Fit Center 5937 is at 6.681091 -1.520561 0.296468 ESP Fit Center 5938 is at 6.642057 -1.111778 0.296468 ESP Fit Center 5939 is at 3.814624 -3.561763 0.296468 ESP Fit Center 5940 is at 4.213690 -3.658575 0.296468 ESP Fit Center 5941 is at 4.623867 -3.678115 0.296468 ESP Fit Center 5942 is at 5.030330 -3.619674 0.296468 ESP Fit Center 5943 is at 5.418387 -3.485366 0.296468 ESP Fit Center 5944 is at 5.774013 -3.280045 0.296468 ESP Fit Center 5945 is at 6.084356 -3.011132 0.296468 ESP Fit Center 5946 is at 6.338198 -2.688345 0.296468 ESP Fit Center 5947 is at 6.526365 -2.323352 0.296468 ESP Fit Center 5948 is at 6.642057 -1.929344 0.296468 ESP Fit Center 5949 is at 6.639587 -1.520561 -0.124927 ESP Fit Center 5950 is at 6.598880 -1.107263 -0.124927 ESP Fit Center 5951 is at 3.710377 -3.477796 -0.124927 ESP Fit Center 5952 is at 4.107792 -3.598351 -0.124927 ESP Fit Center 5953 is at 4.521091 -3.639057 -0.124927 ESP Fit Center 5954 is at 4.934389 -3.598351 -0.124927 ESP Fit Center 5955 is at 5.331804 -3.477796 -0.124927 ESP Fit Center 5956 is at 5.698064 -3.282026 -0.124927 ESP Fit Center 5957 is at 6.019094 -3.018564 -0.124927 ESP Fit Center 5958 is at 6.282556 -2.697535 -0.124927 ESP Fit Center 5959 is at 6.478326 -2.331275 -0.124927 ESP Fit Center 5960 is at 6.598880 -1.933859 -0.124927 ESP Fit Center 5961 is at 6.516670 -1.520561 -0.530128 ESP Fit Center 5962 is at 6.473062 -1.105657 -0.530128 ESP Fit Center 5963 is at 6.344143 -0.708886 -0.530128 ESP Fit Center 5964 is at 3.904422 -3.418470 -0.530128 ESP Fit Center 5965 is at 4.312496 -3.505209 -0.530128 ESP Fit Center 5966 is at 4.729685 -3.505209 -0.530128 ESP Fit Center 5967 is at 5.137759 -3.418470 -0.530128 ESP Fit Center 5968 is at 5.518880 -3.248784 -0.530128 ESP Fit Center 5969 is at 5.856394 -3.003566 -0.530128 ESP Fit Center 5970 is at 6.135548 -2.693533 -0.530128 ESP Fit Center 5971 is at 6.344143 -2.332237 -0.530128 ESP Fit Center 5972 is at 6.473062 -1.935465 -0.530128 ESP Fit Center 5973 is at 6.317065 -1.520561 -0.903563 ESP Fit Center 5974 is at 6.268654 -1.106381 -0.903563 ESP Fit Center 5975 is at 6.126032 -0.714529 -0.903563 ESP Fit Center 5976 is at 3.623103 -3.075921 -0.903563 ESP Fit Center 5977 is at 4.005999 -3.241086 -0.903563 ESP Fit Center 5978 is at 4.416664 -3.313497 -0.903563 ESP Fit Center 5979 is at 4.832958 -3.289251 -0.903563 ESP Fit Center 5980 is at 5.232440 -3.169654 -0.903563 ESP Fit Center 5981 is at 5.593572 -2.961154 -0.903563 ESP Fit Center 5982 is at 5.896887 -2.674991 -0.903563 ESP Fit Center 5983 is at 6.126032 -2.326593 -0.903563 ESP Fit Center 5984 is at 6.268654 -1.934741 -0.903563 ESP Fit Center 5985 is at 6.048441 -1.520561 -1.230882 ESP Fit Center 5986 is at 5.991803 -1.108487 -1.230882 ESP Fit Center 5987 is at 3.640297 -2.768361 -1.230882 ESP Fit Center 5988 is at 4.009612 -2.959724 -1.230882 ESP Fit Center 5989 is at 4.416860 -3.044351 -1.230882 ESP Fit Center 5990 is at 4.831839 -3.015966 -1.230882 ESP Fit Center 5991 is at 5.223771 -2.876673 -1.230882 ESP Fit Center 5992 is at 5.563589 -2.636804 -1.230882 ESP Fit Center 5993 is at 5.826089 -2.314148 -1.230882 ESP Fit Center 5994 is at 5.991803 -1.932635 -1.230882 ESP Fit Center 5995 is at 5.721122 -1.520561 -1.499506 ESP Fit Center 5996 is at 5.648751 -1.110126 -1.499506 ESP Fit Center 5997 is at 3.921075 -2.559819 -1.499506 ESP Fit Center 5998 is at 4.312707 -2.702362 -1.499506 ESP Fit Center 5999 is at 4.729474 -2.702362 -1.499506 ESP Fit Center 6000 is at 5.121106 -2.559819 -1.499506 ESP Fit Center 6001 is at 5.440368 -2.291927 -1.499506 ESP Fit Center 6002 is at 5.648751 -1.930996 -1.499506 ESP Fit Center 6003 is at 5.347687 -1.520561 -1.699111 ESP Fit Center 6004 is at 4.107792 -2.236414 -1.699111 ESP Fit Center 6005 is at 4.521091 -2.347157 -1.699111 ESP Fit Center 6006 is at 4.934389 -2.236414 -1.699111 ESP Fit Center 6007 is at 5.236944 -1.933859 -1.699111 ESP Fit Center 6008 is at 4.942486 -1.520561 -1.822028 ESP Fit Center 6009 is at 4.310393 -1.885500 -1.822028 ESP Fit Center 6010 is at 4.731788 -1.885500 -1.822028 ESP Fit Center 6011 is at 4.402961 2.128480 1.112260 ESP Fit Center 6012 is at 4.020202 2.287024 1.112260 ESP Fit Center 6013 is at 4.799810 2.246744 0.837102 ESP Fit Center 6014 is at 4.437816 2.474200 0.837102 ESP Fit Center 6015 is at 4.034285 2.615402 0.837102 ESP Fit Center 6016 is at 5.447039 1.935027 0.514934 ESP Fit Center 6017 is at 5.190336 2.261452 0.514934 ESP Fit Center 6018 is at 4.876496 2.533396 0.514934 ESP Fit Center 6019 is at 4.516861 2.741032 0.514934 ESP Fit Center 6020 is at 4.124430 2.876853 0.514934 ESP Fit Center 6021 is at 3.713386 2.935952 0.514934 ESP Fit Center 6022 is at 5.870086 1.576885 0.153688 ESP Fit Center 6023 is at 5.692863 1.956939 0.153688 ESP Fit Center 6024 is at 5.452337 2.300446 0.153688 ESP Fit Center 6025 is at 5.155816 2.596967 0.153688 ESP Fit Center 6026 is at 4.812310 2.837493 0.153688 ESP Fit Center 6027 is at 4.432255 3.014716 0.153688 ESP Fit Center 6028 is at 4.027199 3.123250 0.153688 ESP Fit Center 6029 is at 3.609451 3.159798 0.153688 ESP Fit Center 6030 is at 6.177303 0.754081 -0.237740 ESP Fit Center 6031 is at 6.142281 1.176735 -0.237740 ESP Fit Center 6032 is at 6.038170 1.587861 -0.237740 ESP Fit Center 6033 is at 5.867810 1.976243 -0.237740 ESP Fit Center 6034 is at 5.635847 2.331288 -0.237740 ESP Fit Center 6035 is at 5.348610 2.643311 -0.237740 ESP Fit Center 6036 is at 5.013933 2.903801 -0.237740 ESP Fit Center 6037 is at 4.640945 3.105652 -0.237740 ESP Fit Center 6038 is at 4.239821 3.243358 -0.237740 ESP Fit Center 6039 is at 3.821502 3.313163 -0.237740 ESP Fit Center 6040 is at 6.276209 0.754081 -0.649713 ESP Fit Center 6041 is at 6.243377 1.171254 -0.649713 ESP Fit Center 6042 is at 6.145689 1.578154 -0.649713 ESP Fit Center 6043 is at 5.985550 1.964764 -0.649713 ESP Fit Center 6044 is at 5.766904 2.321562 -0.649713 ESP Fit Center 6045 is at 5.495134 2.639764 -0.649713 ESP Fit Center 6046 is at 5.176932 2.911534 -0.649713 ESP Fit Center 6047 is at 4.820134 3.130180 -0.649713 ESP Fit Center 6048 is at 4.433524 3.290319 -0.649713 ESP Fit Center 6049 is at 4.026624 3.388007 -0.649713 ESP Fit Center 6050 is at 3.609451 3.420839 -0.649713 ESP Fit Center 6051 is at 6.145689 -0.069993 -0.649713 ESP Fit Center 6052 is at 6.243377 0.336908 -0.649713 ESP Fit Center 6053 is at 6.309451 0.754081 -1.072086 ESP Fit Center 6054 is at 6.277808 1.166234 -1.072086 ESP Fit Center 6055 is at 6.183621 1.568726 -1.072086 ESP Fit Center 6056 is at 6.029098 1.952124 -1.072086 ESP Fit Center 6057 is at 5.817860 2.307441 -1.072086 ESP Fit Center 6058 is at 5.554859 2.626348 -1.072086 ESP Fit Center 6059 is at 5.246259 2.901371 -1.072086 ESP Fit Center 6060 is at 4.899294 3.126064 -1.072086 ESP Fit Center 6061 is at 4.522096 3.295159 -1.072086 ESP Fit Center 6062 is at 4.123507 3.404693 -1.072086 ESP Fit Center 6063 is at 3.712868 3.452099 -1.072086 ESP Fit Center 6064 is at 3.299805 3.436266 -1.072086 ESP Fit Center 6065 is at 6.029098 -0.443963 -1.072086 ESP Fit Center 6066 is at 6.183621 -0.060565 -1.072086 ESP Fit Center 6067 is at 6.277808 0.341928 -1.072086 ESP Fit Center 6068 is at 6.276209 0.754081 -1.494459 ESP Fit Center 6069 is at 6.243377 1.171254 -1.494459 ESP Fit Center 6070 is at 6.145689 1.578154 -1.494459 ESP Fit Center 6071 is at 5.985550 1.964764 -1.494459 ESP Fit Center 6072 is at 5.766904 2.321562 -1.494459 ESP Fit Center 6073 is at 5.495134 2.639764 -1.494459 ESP Fit Center 6074 is at 5.176932 2.911534 -1.494459 ESP Fit Center 6075 is at 4.820134 3.130180 -1.494459 ESP Fit Center 6076 is at 4.433524 3.290319 -1.494459 ESP Fit Center 6077 is at 4.026624 3.388007 -1.494459 ESP Fit Center 6078 is at 3.609451 3.420839 -1.494459 ESP Fit Center 6079 is at 3.192278 3.388007 -1.494459 ESP Fit Center 6080 is at 2.785377 3.290319 -1.494459 ESP Fit Center 6081 is at 5.766904 -0.813401 -1.494459 ESP Fit Center 6082 is at 5.985550 -0.456602 -1.494459 ESP Fit Center 6083 is at 6.145689 -0.069993 -1.494459 ESP Fit Center 6084 is at 6.243377 0.336908 -1.494459 ESP Fit Center 6085 is at 6.177303 0.754081 -1.906432 ESP Fit Center 6086 is at 6.142281 1.176735 -1.906432 ESP Fit Center 6087 is at 6.038170 1.587861 -1.906432 ESP Fit Center 6088 is at 5.867810 1.976243 -1.906432 ESP Fit Center 6089 is at 5.635847 2.331288 -1.906432 ESP Fit Center 6090 is at 5.348610 2.643311 -1.906432 ESP Fit Center 6091 is at 5.013933 2.903801 -1.906432 ESP Fit Center 6092 is at 4.640945 3.105652 -1.906432 ESP Fit Center 6093 is at 4.239821 3.243358 -1.906432 ESP Fit Center 6094 is at 3.821502 3.313163 -1.906432 ESP Fit Center 6095 is at 3.397399 3.313163 -1.906432 ESP Fit Center 6096 is at 4.640945 -1.597490 -1.906432 ESP Fit Center 6097 is at 5.013933 -1.395639 -1.906432 ESP Fit Center 6098 is at 5.348610 -1.135150 -1.906432 ESP Fit Center 6099 is at 5.635847 -0.823127 -1.906432 ESP Fit Center 6100 is at 5.867810 -0.468082 -1.906432 ESP Fit Center 6101 is at 6.038170 -0.079700 -1.906432 ESP Fit Center 6102 is at 6.142281 0.331426 -1.906432 ESP Fit Center 6103 is at 6.015168 0.754081 -2.297861 ESP Fit Center 6104 is at 5.978620 1.171829 -2.297861 ESP Fit Center 6105 is at 5.870086 1.576885 -2.297861 ESP Fit Center 6106 is at 5.692863 1.956939 -2.297861 ESP Fit Center 6107 is at 5.452337 2.300446 -2.297861 ESP Fit Center 6108 is at 5.155816 2.596967 -2.297861 ESP Fit Center 6109 is at 4.812310 2.837493 -2.297861 ESP Fit Center 6110 is at 4.432255 3.014716 -2.297861 ESP Fit Center 6111 is at 4.027199 3.123250 -2.297861 ESP Fit Center 6112 is at 3.609451 3.159798 -2.297861 ESP Fit Center 6113 is at 4.027199 -1.615089 -2.297861 ESP Fit Center 6114 is at 4.432255 -1.506554 -2.297861 ESP Fit Center 6115 is at 4.812310 -1.329332 -2.297861 ESP Fit Center 6116 is at 5.155816 -1.088806 -2.297861 ESP Fit Center 6117 is at 5.452337 -0.792285 -2.297861 ESP Fit Center 6118 is at 5.692863 -0.448778 -2.297861 ESP Fit Center 6119 is at 5.870086 -0.068723 -2.297861 ESP Fit Center 6120 is at 5.978620 0.336332 -2.297861 ESP Fit Center 6121 is at 5.793797 0.754081 -2.659106 ESP Fit Center 6122 is at 5.754323 1.167471 -2.659106 ESP Fit Center 6123 is at 5.637327 1.565920 -2.659106 ESP Fit Center 6124 is at 5.447039 1.935027 -2.659106 ESP Fit Center 6125 is at 5.190336 2.261452 -2.659106 ESP Fit Center 6126 is at 4.876496 2.533396 -2.659106 ESP Fit Center 6127 is at 4.516861 2.741032 -2.659106 ESP Fit Center 6128 is at 4.124430 2.876853 -2.659106 ESP Fit Center 6129 is at 3.713386 2.935952 -2.659106 ESP Fit Center 6130 is at 2.895021 -1.310128 -2.659106 ESP Fit Center 6131 is at 3.298586 -1.408032 -2.659106 ESP Fit Center 6132 is at 3.713386 -1.427791 -2.659106 ESP Fit Center 6133 is at 4.124430 -1.368692 -2.659106 ESP Fit Center 6134 is at 4.516861 -1.232870 -2.659106 ESP Fit Center 6135 is at 4.876496 -1.025235 -2.659106 ESP Fit Center 6136 is at 5.190336 -0.753291 -2.659106 ESP Fit Center 6137 is at 5.447039 -0.426866 -2.659106 ESP Fit Center 6138 is at 5.637327 -0.057759 -2.659106 ESP Fit Center 6139 is at 5.754323 0.340690 -2.659106 ESP Fit Center 6140 is at 5.518639 0.754081 -2.981275 ESP Fit Center 6141 is at 5.470772 1.178915 -2.981275 ESP Fit Center 6142 is at 5.329570 1.582446 -2.981275 ESP Fit Center 6143 is at 5.102114 1.944440 -2.981275 ESP Fit Center 6144 is at 4.799810 2.246744 -2.981275 ESP Fit Center 6145 is at 4.437816 2.474200 -2.981275 ESP Fit Center 6146 is at 4.034285 2.615402 -2.981275 ESP Fit Center 6147 is at 2.781085 -0.966039 -2.981275 ESP Fit Center 6148 is at 3.184616 -1.107240 -2.981275 ESP Fit Center 6149 is at 3.609451 -1.155108 -2.981275 ESP Fit Center 6150 is at 4.034285 -1.107240 -2.981275 ESP Fit Center 6151 is at 4.437816 -0.966039 -2.981275 ESP Fit Center 6152 is at 4.799810 -0.738583 -2.981275 ESP Fit Center 6153 is at 5.102114 -0.436279 -2.981275 ESP Fit Center 6154 is at 5.329570 -0.074285 -2.981275 ESP Fit Center 6155 is at 5.470772 0.329246 -2.981275 ESP Fit Center 6156 is at 5.196471 0.754081 -3.256432 ESP Fit Center 6157 is at 5.142395 1.164832 -3.256432 ESP Fit Center 6158 is at 4.983851 1.547591 -3.256432 ESP Fit Center 6159 is at 4.731643 1.876273 -3.256432 ESP Fit Center 6160 is at 4.402961 2.128480 -3.256432 ESP Fit Center 6161 is at 4.020202 2.287024 -3.256432 ESP Fit Center 6162 is at 2.487258 -0.368112 -3.256432 ESP Fit Center 6163 is at 2.815941 -0.620319 -3.256432 ESP Fit Center 6164 is at 3.198700 -0.778863 -3.256432 ESP Fit Center 6165 is at 3.609451 -0.832940 -3.256432 ESP Fit Center 6166 is at 4.020202 -0.778863 -3.256432 ESP Fit Center 6167 is at 4.402961 -0.620319 -3.256432 ESP Fit Center 6168 is at 4.731643 -0.368112 -3.256432 ESP Fit Center 6169 is at 4.983851 -0.039429 -3.256432 ESP Fit Center 6170 is at 5.142395 0.343330 -3.256432 ESP Fit Center 6171 is at 4.835225 0.754081 -3.477804 ESP Fit Center 6172 is at 4.761302 1.173320 -3.477804 ESP Fit Center 6173 is at 4.548448 1.541993 -3.477804 ESP Fit Center 6174 is at 4.222338 1.815632 -3.477804 ESP Fit Center 6175 is at 2.996564 -0.307471 -3.477804 ESP Fit Center 6176 is at 3.396597 -0.453071 -3.477804 ESP Fit Center 6177 is at 3.822304 -0.453071 -3.477804 ESP Fit Center 6178 is at 4.222338 -0.307471 -3.477804 ESP Fit Center 6179 is at 4.548448 -0.033832 -3.477804 ESP Fit Center 6180 is at 4.761302 0.334841 -3.477804 ESP Fit Center 6181 is at 4.443797 0.754081 -3.639939 ESP Fit Center 6182 is at 4.332015 1.171254 -3.639939 ESP Fit Center 6183 is at 4.026624 1.476645 -3.639939 ESP Fit Center 6184 is at 3.192278 0.031516 -3.639939 ESP Fit Center 6185 is at 3.609451 -0.080265 -3.639939 ESP Fit Center 6186 is at 4.026624 0.031516 -3.639939 ESP Fit Center 6187 is at 4.332015 0.336908 -3.639939 ESP Fit Center 6188 is at 4.031824 0.754081 -3.738845 ESP Fit Center 6189 is at 3.820637 1.119866 -3.738845 ESP Fit Center 6190 is at 3.398264 0.388295 -3.738845 ESP Fit Center 6191 is at 3.820637 0.388295 -3.738845 ESP Fit Center 6192 is at 3.609451 0.754081 -3.772086 ESP Fit Center 6193 is at 2.635372 3.278935 -1.713717 ESP Fit Center 6194 is at 2.942772 3.259417 -2.135112 ESP Fit Center 6195 is at 2.529474 3.218710 -2.135112 ESP Fit Center 6196 is at 3.559440 3.038830 -2.540313 ESP Fit Center 6197 is at 3.151367 3.125568 -2.540313 ESP Fit Center 6198 is at 2.734177 3.125568 -2.540313 ESP Fit Center 6199 is at 2.326104 3.038830 -2.540313 ESP Fit Center 6200 is at 3.654121 2.790013 -2.913749 ESP Fit Center 6201 is at 3.254639 2.909610 -2.913749 ESP Fit Center 6202 is at 2.838345 2.933856 -2.913749 ESP Fit Center 6203 is at 2.427680 2.861445 -2.913749 ESP Fit Center 6204 is at 3.645452 2.497033 -3.241068 ESP Fit Center 6205 is at 3.253520 2.636325 -3.241068 ESP Fit Center 6206 is at 2.838542 2.664711 -3.241068 ESP Fit Center 6207 is at 2.431293 2.580083 -3.241068 ESP Fit Center 6208 is at 2.061979 2.388720 -3.241068 ESP Fit Center 6209 is at 3.862049 1.912286 -3.509691 ESP Fit Center 6210 is at 3.542788 2.180179 -3.509691 ESP Fit Center 6211 is at 3.151155 2.322721 -3.509691 ESP Fit Center 6212 is at 2.734388 2.322721 -3.509691 ESP Fit Center 6213 is at 2.342756 2.180179 -3.509691 ESP Fit Center 6214 is at 2.023494 1.912286 -3.509691 ESP Fit Center 6215 is at 1.815111 1.551356 -3.509691 ESP Fit Center 6216 is at 2.342756 0.101663 -3.509691 ESP Fit Center 6217 is at 2.734388 -0.040880 -3.509691 ESP Fit Center 6218 is at 3.658625 1.554219 -3.709297 ESP Fit Center 6219 is at 3.356070 1.856774 -3.709297 ESP Fit Center 6220 is at 2.942772 1.967517 -3.709297 ESP Fit Center 6221 is at 2.529474 1.856774 -3.709297 ESP Fit Center 6222 is at 2.226918 1.554219 -3.709297 ESP Fit Center 6223 is at 2.116176 1.140921 -3.709297 ESP Fit Center 6224 is at 2.226918 0.727622 -3.709297 ESP Fit Center 6225 is at 2.529474 0.425067 -3.709297 ESP Fit Center 6226 is at 2.942772 0.314324 -3.709297 ESP Fit Center 6227 is at 3.364167 1.140921 -3.832213 ESP Fit Center 6228 is at 3.153469 1.505859 -3.832213 ESP Fit Center 6229 is at 2.732074 1.505859 -3.832213 ESP Fit Center 6230 is at 2.521377 1.140921 -3.832213 ESP Fit Center 6231 is at 2.732074 0.775982 -3.832213 ESP Fit Center 6232 is at 3.153469 0.775982 -3.832213 ESP Fit Center 6233 is at 2.942772 1.140921 -3.873717 ESP Fit Center 6234 is at -0.250415 5.413022 -0.935250 ESP Fit Center 6235 is at -0.456163 5.302456 -1.329521 ESP Fit Center 6236 is at 2.744876 2.788176 2.865229 ESP Fit Center 6237 is at 2.700612 3.195172 2.865229 ESP Fit Center 6238 is at 2.569891 3.583137 2.865229 ESP Fit Center 6239 is at 2.358826 3.933930 2.865229 ESP Fit Center 6240 is at 2.077285 4.231150 2.865229 ESP Fit Center 6241 is at 1.738433 4.460897 2.865229 ESP Fit Center 6242 is at 1.358113 4.612430 2.865229 ESP Fit Center 6243 is at 2.569891 1.993215 2.865229 ESP Fit Center 6244 is at 2.700612 2.381180 2.865229 ESP Fit Center 6245 is at 3.044120 2.788176 2.585755 ESP Fit Center 6246 is at 3.004498 3.203111 2.585755 ESP Fit Center 6247 is at 2.887066 3.603049 2.585755 ESP Fit Center 6248 is at 2.696067 3.973535 2.585755 ESP Fit Center 6249 is at 2.438404 4.301179 2.585755 ESP Fit Center 6250 is at 2.123391 4.574140 2.585755 ESP Fit Center 6251 is at 1.762412 4.782551 2.585755 ESP Fit Center 6252 is at 1.368515 4.918880 2.585755 ESP Fit Center 6253 is at 0.955935 4.978200 2.585755 ESP Fit Center 6254 is at 0.539585 4.958367 2.585755 ESP Fit Center 6255 is at 0.134513 4.860097 2.585755 ESP Fit Center 6256 is at 2.887066 1.973303 2.585755 ESP Fit Center 6257 is at 3.004498 2.373241 2.585755 ESP Fit Center 6258 is at 3.302521 2.788176 2.268136 ESP Fit Center 6259 is at 3.267267 3.202381 2.268136 ESP Fit Center 6260 is at 3.162519 3.604671 2.268136 ESP Fit Center 6261 is at 2.991291 3.983472 2.268136 ESP Fit Center 6262 is at 2.758507 4.327886 2.268136 ESP Fit Center 6263 is at 2.470866 4.628006 2.268136 ESP Fit Center 6264 is at 2.136642 4.875197 2.268136 ESP Fit Center 6265 is at 0.955631 5.236877 2.268136 ESP Fit Center 6266 is at 0.540303 5.219234 2.268136 ESP Fit Center 6267 is at 0.133930 5.131654 2.268136 ESP Fit Center 6268 is at -0.251797 4.976656 2.268136 ESP Fit Center 6269 is at -0.605780 4.758700 2.268136 ESP Fit Center 6270 is at -0.917837 4.484055 2.268136 ESP Fit Center 6271 is at 3.162519 1.971680 2.268136 ESP Fit Center 6272 is at 3.267267 2.373970 2.268136 ESP Fit Center 6273 is at 3.515267 2.788176 1.918290 ESP Fit Center 6274 is at 3.482473 3.204863 1.918290 ESP Fit Center 6275 is at 3.384899 3.611291 1.918290 ESP Fit Center 6276 is at 3.224946 3.997450 1.918290 ESP Fit Center 6277 is at 3.006554 4.353833 1.918290 ESP Fit Center 6278 is at 0.028497 5.321463 1.918290 ESP Fit Center 6279 is at -0.357663 5.161510 1.918290 ESP Fit Center 6280 is at -0.714046 4.943118 1.918290 ESP Fit Center 6281 is at -1.031877 4.671665 1.918290 ESP Fit Center 6282 is at 3.482473 2.371488 1.918290 ESP Fit Center 6283 is at 3.678395 2.788176 1.542734 ESP Fit Center 6284 is at 3.648271 3.199759 1.542734 ESP Fit Center 6285 is at 3.558541 3.602569 1.542734 ESP Fit Center 6286 is at 3.411117 3.988023 1.542734 ESP Fit Center 6287 is at 3.209142 4.347903 1.542734 ESP Fit Center 6288 is at -0.440913 5.302153 1.542734 ESP Fit Center 6289 is at -0.793177 5.087169 1.542734 ESP Fit Center 6290 is at 3.760279 3.196962 1.148463 ESP Fit Center 6291 is at 3.675080 3.597792 1.148463 ESP Fit Center 6292 is at 3.534925 3.982864 1.148463 ESP Fit Center 6293 is at -0.617014 5.331911 1.148463 ESP Fit Center 6294 is at 3.815490 3.204722 0.742823 ESP Fit Center 6295 is at 3.728674 3.613160 0.742823 ESP Fit Center 6296 is at 3.585859 4.005541 0.742823 ESP Fit Center 6297 is at 3.728674 3.613160 0.333368 ESP Fit Center 6298 is at 3.585859 4.005541 0.333368 ESP Fit Center 6299 is at 3.675080 3.597792 -0.072273 ESP Fit Center 6300 is at 3.534925 3.982864 -0.072273 ESP Fit Center 6301 is at 2.696067 3.973535 -1.509564 ESP Fit Center 6302 is at 0.212073 5.314922 -1.457603 ESP Fit Center 6303 is at -0.205245 5.314922 -1.457603 ESP Fit Center 6304 is at -0.617902 5.252723 -1.457603 ESP Fit Center 6305 is at 2.519073 3.742036 -1.876092 ESP Fit Center 6306 is at 2.310414 4.103444 -1.876092 ESP Fit Center 6307 is at 2.050220 4.429717 -1.876092 ESP Fit Center 6308 is at 1.744304 4.713565 -1.876092 ESP Fit Center 6309 is at 1.399499 4.948649 -1.876092 ESP Fit Center 6310 is at 1.023509 5.129717 -1.876092 ESP Fit Center 6311 is at 0.624731 5.252723 -1.876092 ESP Fit Center 6312 is at 0.212073 5.314922 -1.876092 ESP Fit Center 6313 is at -0.205245 5.314922 -1.876092 ESP Fit Center 6314 is at -0.617902 5.252723 -1.876092 ESP Fit Center 6315 is at -1.016680 5.129717 -1.876092 ESP Fit Center 6316 is at 2.449765 3.741824 -2.289906 ESP Fit Center 6317 is at 2.236196 4.101062 -2.289906 ESP Fit Center 6318 is at 1.970293 4.423489 -2.289906 ESP Fit Center 6319 is at 1.658287 4.701547 -2.289906 ESP Fit Center 6320 is at 1.307493 4.928720 -2.289906 ESP Fit Center 6321 is at 0.926132 5.099681 -2.289906 ESP Fit Center 6322 is at 0.523143 5.210424 -2.289906 ESP Fit Center 6323 is at 0.107973 5.258353 -2.289906 ESP Fit Center 6324 is at -0.309648 5.242346 -2.289906 ESP Fit Center 6325 is at -0.719932 5.162776 -2.289906 ESP Fit Center 6326 is at 2.482292 3.335995 -2.689802 ESP Fit Center 6327 is at 2.325775 3.713860 -2.689802 ESP Fit Center 6328 is at 2.112074 4.062589 -2.689802 ESP Fit Center 6329 is at 1.846450 4.373594 -2.689802 ESP Fit Center 6330 is at 1.535445 4.639218 -2.689802 ESP Fit Center 6331 is at 1.186716 4.852919 -2.689802 ESP Fit Center 6332 is at 0.808850 5.009436 -2.689802 ESP Fit Center 6333 is at 0.411152 5.104915 -2.689802 ESP Fit Center 6334 is at 0.003414 5.137005 -2.689802 ESP Fit Center 6335 is at -0.404324 5.104915 -2.689802 ESP Fit Center 6336 is at 2.289770 3.338379 -3.066847 ESP Fit Center 6337 is at 2.120361 3.713156 -3.066847 ESP Fit Center 6338 is at 1.890051 4.053911 -3.066847 ESP Fit Center 6339 is at 1.605465 4.350842 -3.066847 ESP Fit Center 6340 is at 1.274792 4.595407 -3.066847 ESP Fit Center 6341 is at 0.907543 4.780570 -3.066847 ESP Fit Center 6342 is at 0.514284 4.901004 -3.066847 ESP Fit Center 6343 is at 0.106329 4.953245 -3.066847 ESP Fit Center 6344 is at -0.304588 4.935789 -3.066847 ESP Fit Center 6345 is at 2.152982 2.944854 -3.412619 ESP Fit Center 6346 is at 2.035731 3.344175 -3.412619 ESP Fit Center 6347 is at 1.845026 3.714090 -3.412619 ESP Fit Center 6348 is at 1.587761 4.041230 -3.412619 ESP Fit Center 6349 is at 1.273233 4.313770 -3.412619 ESP Fit Center 6350 is at 0.912811 4.521859 -3.412619 ESP Fit Center 6351 is at 0.519521 4.657978 -3.412619 ESP Fit Center 6352 is at 0.107577 4.717207 -3.412619 ESP Fit Center 6353 is at -1.091150 0.634718 -3.412619 ESP Fit Center 6354 is at 1.907898 2.530558 -3.719393 ESP Fit Center 6355 is at 1.863372 2.939966 -3.719393 ESP Fit Center 6356 is at 1.731877 3.330230 -3.719393 ESP Fit Center 6357 is at 1.519560 3.683103 -3.719393 ESP Fit Center 6358 is at 1.236351 3.982084 -3.719393 ESP Fit Center 6359 is at 0.895490 4.213193 -3.719393 ESP Fit Center 6360 is at 0.512918 4.365624 -3.719393 ESP Fit Center 6361 is at 0.106521 4.432249 -3.719393 ESP Fit Center 6362 is at -0.701508 0.761337 -3.719393 ESP Fit Center 6363 is at -0.304697 0.651163 -3.719393 ESP Fit Center 6364 is at 1.731877 1.730886 -3.719393 ESP Fit Center 6365 is at 1.863372 2.121151 -3.719393 ESP Fit Center 6366 is at 1.580710 2.530558 -3.980316 ESP Fit Center 6367 is at 1.526965 2.938793 -3.980316 ESP Fit Center 6368 is at 1.369393 3.319206 -3.980316 ESP Fit Center 6369 is at 1.118731 3.645875 -3.980316 ESP Fit Center 6370 is at 0.792062 3.896537 -3.980316 ESP Fit Center 6371 is at 0.411648 4.054109 -3.980316 ESP Fit Center 6372 is at -0.404820 1.007007 -3.980316 ESP Fit Center 6373 is at 0.003414 0.953262 -3.980316 ESP Fit Center 6374 is at 0.411648 1.007007 -3.980316 ESP Fit Center 6375 is at 0.792062 1.164580 -3.980316 ESP Fit Center 6376 is at 1.118731 1.415242 -3.980316 ESP Fit Center 6377 is at 1.369393 1.741910 -3.980316 ESP Fit Center 6378 is at 1.526965 2.122324 -3.980316 ESP Fit Center 6379 is at 1.218289 2.530558 -4.189560 ESP Fit Center 6380 is at 1.145023 2.946070 -4.189560 ESP Fit Center 6381 is at 0.934062 3.311465 -4.189560 ESP Fit Center 6382 is at 0.610851 3.582671 -4.189560 ESP Fit Center 6383 is at 0.214375 3.726976 -4.189560 ESP Fit Center 6384 is at -0.207547 1.334141 -4.189560 ESP Fit Center 6385 is at 0.214375 1.334141 -4.189560 ESP Fit Center 6386 is at 0.610851 1.478446 -4.189560 ESP Fit Center 6387 is at 0.934062 1.749652 -4.189560 ESP Fit Center 6388 is at 1.145023 2.115047 -4.189560 ESP Fit Center 6389 is at 0.828729 2.530558 -4.342451 ESP Fit Center 6390 is at 0.718157 2.943216 -4.342451 ESP Fit Center 6391 is at 0.416071 3.245302 -4.342451 ESP Fit Center 6392 is at 0.003414 1.705244 -4.342451 ESP Fit Center 6393 is at 0.416071 1.815815 -4.342451 ESP Fit Center 6394 is at 0.718157 2.117901 -4.342451 ESP Fit Center 6395 is at 0.420733 2.530558 -4.435574 ESP Fit Center 6396 is at 0.212073 2.891967 -4.435574 ESP Fit Center 6397 is at 0.212073 2.169150 -4.435574 ESP Fit Center 6398 is at -3.547770 -1.912323 3.143028 ESP Fit Center 6399 is at -3.130451 -1.912323 3.111754 ESP Fit Center 6400 is at -3.756429 -1.550915 3.111754 ESP Fit Center 6401 is at -3.965088 -1.912323 3.111754 ESP Fit Center 6402 is at -3.756429 -2.273731 3.111754 ESP Fit Center 6403 is at -3.339111 -2.273731 3.111754 ESP Fit Center 6404 is at -4.262513 -1.499666 3.018632 ESP Fit Center 6405 is at -4.373084 -1.912323 3.018632 ESP Fit Center 6406 is at -4.262513 -2.324980 3.018632 ESP Fit Center 6407 is at -3.960427 -2.627066 3.018632 ESP Fit Center 6408 is at -3.547770 -2.737637 3.018632 ESP Fit 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ESP Fit Center 6500 is at -3.443211 -4.640118 0.966086 ESP Fit Center 6501 is at -6.063429 -0.700845 0.552272 ESP Fit Center 6502 is at -6.215892 -1.089316 0.552272 ESP Fit Center 6503 is at -6.308754 -1.496171 0.552272 ESP Fit Center 6504 is at -6.339940 -1.912323 0.552272 ESP Fit Center 6505 is at -6.308754 -2.328474 0.552272 ESP Fit Center 6506 is at -6.215892 -2.735330 0.552272 ESP Fit Center 6507 is at -6.063429 -3.123800 0.552272 ESP Fit Center 6508 is at -5.854769 -3.485209 0.552272 ESP Fit Center 6509 is at -5.594576 -3.811481 0.552272 ESP Fit Center 6510 is at -5.288660 -4.095330 0.552272 ESP Fit Center 6511 is at -4.943855 -4.330414 0.552272 ESP Fit Center 6512 is at -4.567864 -4.511481 0.552272 ESP Fit Center 6513 is at -4.169086 -4.634488 0.552272 ESP Fit Center 6514 is at -3.756429 -4.696686 0.552272 ESP Fit Center 6515 is at -3.339111 -4.696686 0.552272 ESP Fit Center 6516 is at -5.854769 -0.339437 0.133784 ESP Fit Center 6517 is at -6.063429 -0.700845 0.133784 ESP Fit Center 6518 is at -6.215892 -1.089316 0.133784 ESP Fit Center 6519 is at -6.308754 -1.496171 0.133784 ESP Fit Center 6520 is at -6.339940 -1.912323 0.133784 ESP Fit Center 6521 is at -6.308754 -2.328474 0.133784 ESP Fit Center 6522 is at -6.215892 -2.735330 0.133784 ESP Fit Center 6523 is at -6.063429 -3.123800 0.133784 ESP Fit Center 6524 is at -5.854769 -3.485209 0.133784 ESP Fit Center 6525 is at -5.594576 -3.811481 0.133784 ESP Fit Center 6526 is at -5.288660 -4.095330 0.133784 ESP Fit Center 6527 is at -4.943855 -4.330414 0.133784 ESP Fit Center 6528 is at -4.567864 -4.511481 0.133784 ESP Fit Center 6529 is at -4.169086 -4.634488 0.133784 ESP Fit Center 6530 is at -3.756429 -4.696686 0.133784 ESP Fit Center 6531 is at -5.894221 -0.517345 -0.280031 ESP Fit Center 6532 is at -6.079664 -0.891878 -0.280031 ESP Fit Center 6533 is at -6.205762 -1.290329 -0.280031 ESP Fit Center 6534 is at -6.269558 -1.703359 -0.280031 ESP Fit Center 6535 is at -6.269558 -2.121287 -0.280031 ESP Fit Center 6536 is at -6.205762 -2.534317 -0.280031 ESP Fit Center 6537 is at -6.079664 -2.932768 -0.280031 ESP Fit Center 6538 is at -5.894221 -3.307301 -0.280031 ESP Fit Center 6539 is at -5.653780 -3.649136 -0.280031 ESP Fit Center 6540 is at -5.363975 -3.950262 -0.280031 ESP Fit Center 6541 is at -5.031599 -4.203621 -0.280031 ESP Fit Center 6542 is at -4.664445 -4.403274 -0.280031 ESP Fit Center 6543 is at -4.271116 -4.544540 -0.280031 ESP Fit Center 6544 is at -3.860832 -4.624110 -0.280031 ESP Fit Center 6545 is at -5.656429 -0.380292 -0.679927 ESP Fit Center 6546 is at -5.870131 -0.729021 -0.679927 ESP Fit Center 6547 is at -6.026648 -1.106887 -0.679927 ESP Fit Center 6548 is at -6.122127 -1.504585 -0.679927 ESP Fit Center 6549 is at -6.154216 -1.912323 -0.679927 ESP Fit Center 6550 is at -6.122127 -2.320061 -0.679927 ESP Fit Center 6551 is at -6.026648 -2.717759 -0.679927 ESP Fit Center 6552 is at -5.870131 -3.095625 -0.679927 ESP Fit Center 6553 is at -5.656429 -3.444354 -0.679927 ESP Fit Center 6554 is at -5.390806 -3.755359 -0.679927 ESP Fit Center 6555 is at -5.079801 -4.020982 -0.679927 ESP Fit Center 6556 is at -4.731072 -4.234684 -0.679927 ESP Fit Center 6557 is at -4.353206 -4.391201 -0.679927 ESP Fit Center 6558 is at -3.955508 -4.486680 -0.679927 ESP Fit Center 6559 is at -5.556799 -0.554456 -1.056972 ESP Fit Center 6560 is at -5.757381 -0.913515 -1.056972 ESP Fit Center 6561 is at -5.894397 -1.301308 -1.056972 ESP Fit Center 6562 is at -5.963905 -1.706679 -1.056972 ESP Fit Center 6563 is at -5.963905 -2.117966 -1.056972 ESP Fit Center 6564 is at -5.894397 -2.523337 -1.056972 ESP Fit Center 6565 is at -5.757381 -2.911130 -1.056972 ESP Fit Center 6566 is at -5.556799 -3.270190 -1.056972 ESP Fit Center 6567 is at -5.298420 -3.590185 -1.056972 ESP Fit Center 6568 is at -4.989679 -3.861912 -1.056972 ESP Fit Center 6569 is at -4.639456 -4.077553 -1.056972 ESP Fit Center 6570 is at -4.257827 -4.230904 -1.056972 ESP Fit Center 6571 is at -5.268541 -0.559094 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3.129200 ESP Fit Center 6680 is at -1.753310 -1.238925 3.129200 ESP Fit Center 6681 is at -1.471769 -0.941705 3.129200 ESP Fit Center 6682 is at -1.260703 -0.590912 3.129200 ESP Fit Center 6683 is at -1.129983 -0.202947 3.129200 ESP Fit Center 6684 is at -1.134528 -0.981310 2.849725 ESP Fit Center 6685 is at -5.355270 1.930523 0.191698 ESP Fit Center 6686 is at -5.572423 1.583005 0.191698 ESP Fit Center 6687 is at -5.216372 1.931704 -0.202573 ESP Fit Center 6688 is at -5.444077 1.587527 -0.202573 ESP Fit Center 6689 is at -5.619244 1.213863 -0.202573 ESP Fit Center 6690 is at -5.738137 0.818677 -0.202573 ESP Fit Center 6691 is at -5.798225 0.410391 -0.202573 ESP Fit Center 6692 is at -5.798225 -0.002293 -0.202573 ESP Fit Center 6693 is at -4.862472 2.087538 -0.578129 ESP Fit Center 6694 is at -5.133926 1.769706 -0.578129 ESP Fit Center 6695 is at -5.352318 1.413323 -0.578129 ESP Fit Center 6696 is at -5.512270 1.027164 -0.578129 ESP Fit Center 6697 is at -5.609845 0.620737 -0.578129 ESP Fit Center 6698 is at -5.642639 0.204049 -0.578129 ESP Fit Center 6699 is at -5.609845 -0.212639 -0.578129 ESP Fit Center 6700 is at -4.748432 1.899929 -0.927975 ESP Fit Center 6701 is at -5.009585 1.576497 -0.927975 ESP Fit Center 6702 is at -5.212322 1.213582 -0.927975 ESP Fit Center 6703 is at -5.350809 0.821624 -0.927975 ESP Fit Center 6704 is at -5.421063 0.411901 -0.927975 ESP Fit Center 6705 is at -5.421063 -0.003803 -0.927975 ESP Fit Center 6706 is at -4.414770 1.861036 -1.245593 ESP Fit Center 6707 is at -4.702411 1.559367 -1.245593 ESP Fit Center 6708 is at -4.927762 1.208714 -1.245593 ESP Fit Center 6709 is at -5.082679 0.821750 -1.245593 ESP Fit Center 6710 is at -5.161563 0.412460 -1.245593 ESP Fit Center 6711 is at -5.161563 -0.004362 -1.245593 ESP Fit Center 6712 is at -4.353484 1.506045 -1.525068 ESP Fit Center 6713 is at -4.601240 1.180128 -1.525068 ESP Fit Center 6714 is at -4.773140 0.808571 -1.525068 ESP Fit Center 6715 is at -4.861148 0.408747 -1.525068 ESP Fit Center 6716 is at -4.188124 1.187758 -1.761192 ESP Fit Center 6717 is at -4.408688 0.825057 -1.761192 ESP Fit Center 6718 is at -4.523217 0.416299 -1.761192 ESP Fit Center 6719 is at -3.894562 0.972311 -1.949568 ESP Fit Center 6720 is at -4.102107 0.612833 -1.949568 ESP Fit Center 6721 is at -3.383678 0.905002 -2.086686 ESP Fit Center 6722 is at -3.679936 0.608744 -2.086686 ESP Fit Center 6723 is at -2.402939 0.965907 3.681396 ESP Fit Center 6724 is at -1.994439 0.965907 3.681396 ESP Fit Center 6725 is at -1.389299 1.319679 3.598090 ESP Fit Center 6726 is at -1.793994 0.618726 3.598090 ESP Fit Center 6727 is at -1.497737 0.914983 3.598090 ESP Fit Center 6728 is at -1.003486 1.319679 3.460972 ESP Fit Center 6729 is at -1.283110 0.551417 3.460972 ESP Fit Center 6730 is at -1.075566 0.910895 3.460972 ESP Fit Center 6731 is at -0.639937 1.319679 3.272597 ESP Fit Center 6732 is at -1.134758 0.180487 3.272597 ESP Fit Center 6733 is at -0.866861 0.509776 3.272597 ESP Fit Center 6734 is at 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Fit Center 6771 is at -2.957123 1.638377 3.881796 ESP Fit Center 6772 is at -2.544466 1.527806 3.881796 ESP Fit Center 6773 is at -2.131809 1.638377 3.881796 ESP Fit Center 6774 is at -1.829722 1.940463 3.881796 ESP Fit Center 6775 is at -1.329591 2.353120 3.728905 ESP Fit Center 6776 is at -1.402857 2.768632 3.728905 ESP Fit Center 6777 is at -1.613818 3.134026 3.728905 ESP Fit Center 6778 is at -1.937029 3.405232 3.728905 ESP Fit Center 6779 is at -2.333505 3.549538 3.728905 ESP Fit Center 6780 is at -2.755427 3.549538 3.728905 ESP Fit Center 6781 is at -3.151903 3.405232 3.728905 ESP Fit Center 6782 is at -3.475114 3.134026 3.728905 ESP Fit Center 6783 is at -3.686074 2.768632 3.728905 ESP Fit Center 6784 is at -3.759340 2.353120 3.728905 ESP Fit Center 6785 is at -3.686074 1.937609 3.728905 ESP Fit Center 6786 is at -3.475114 1.572214 3.728905 ESP Fit Center 6787 is at -3.151903 1.301008 3.728905 ESP Fit Center 6788 is at -2.755427 1.156702 3.728905 ESP Fit Center 6789 is at 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ESP Fit Center 6808 is at -1.020915 1.944886 3.519661 ESP Fit Center 6809 is at -1.028320 3.505665 3.258737 ESP Fit Center 6810 is at -1.311529 3.804645 3.258737 ESP Fit Center 6811 is at -1.652390 4.035754 3.258737 ESP Fit Center 6812 is at -2.034962 4.188185 3.258737 ESP Fit Center 6813 is at -2.441359 4.254811 3.258737 ESP Fit Center 6814 is at -2.852577 4.232515 3.258737 ESP Fit Center 6815 is at -3.249388 4.122341 3.258737 ESP Fit Center 6816 is at -3.613237 3.929440 3.258737 ESP Fit Center 6817 is at -3.927112 3.662833 3.258737 ESP Fit Center 6818 is at -4.176336 3.334984 3.258737 ESP Fit Center 6819 is at -4.349256 2.961225 3.258737 ESP Fit Center 6820 is at -4.437785 2.559031 3.258737 ESP Fit Center 6821 is at -4.437785 2.147209 3.258737 ESP Fit Center 6822 is at -4.349256 1.745016 3.258737 ESP Fit Center 6823 is at -1.274647 4.136331 2.951963 ESP Fit Center 6824 is at -1.635069 4.344421 2.951963 ESP Fit Center 6825 is at -2.028359 4.480540 2.951963 ESP Fit Center 6826 is at 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ESP Fit Center 6845 is at -4.553495 3.710987 2.606192 ESP Fit Center 6846 is at -4.754077 3.351928 2.606192 ESP Fit Center 6847 is at -4.891093 2.964135 2.606192 ESP Fit Center 6848 is at -4.960601 2.558764 2.606192 ESP Fit Center 6849 is at -4.960601 2.147477 2.606192 ESP Fit Center 6850 is at -1.012435 4.461780 2.229147 ESP Fit Center 6851 is at -1.361164 4.675481 2.229147 ESP Fit Center 6852 is at -1.739030 4.831998 2.229147 ESP Fit Center 6853 is at -2.136728 4.927477 2.229147 ESP Fit Center 6854 is at -2.544466 4.959567 2.229147 ESP Fit Center 6855 is at -2.952204 4.927477 2.229147 ESP Fit Center 6856 is at -3.349902 4.831998 2.229147 ESP Fit Center 6857 is at -3.727768 4.675481 2.229147 ESP Fit Center 6858 is at -4.076497 4.461780 2.229147 ESP Fit Center 6859 is at -4.387502 4.196156 2.229147 ESP Fit Center 6860 is at -4.653125 3.885151 2.229147 ESP Fit Center 6861 is at -4.866827 3.536422 2.229147 ESP Fit Center 6862 is at -5.023344 3.158556 2.229147 ESP Fit Center 6863 is at 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ESP Fit Center 6882 is at -3.165782 5.075285 1.415436 ESP Fit Center 6883 is at -3.564560 4.952279 1.415436 ESP Fit Center 6884 is at -3.940551 4.771211 1.415436 ESP Fit Center 6885 is at -4.285356 4.536127 1.415436 ESP Fit Center 6886 is at -4.591272 4.252279 1.415436 ESP Fit Center 6887 is at -4.851465 3.926006 1.415436 ESP Fit Center 6888 is at -5.060125 3.564598 1.415436 ESP Fit Center 6889 is at -5.212588 3.176127 1.415436 ESP Fit Center 6890 is at -5.305450 2.769272 1.415436 ESP Fit Center 6891 is at -5.336636 2.353120 1.415436 ESP Fit Center 6892 is at -2.335807 5.137483 0.996948 ESP Fit Center 6893 is at -2.753125 5.137483 0.996948 ESP Fit Center 6894 is at -3.165782 5.075285 0.996948 ESP Fit Center 6895 is at -3.564560 4.952279 0.996948 ESP Fit Center 6896 is at -3.940551 4.771211 0.996948 ESP Fit Center 6897 is at -4.285356 4.536127 0.996948 ESP Fit Center 6898 is at -4.591272 4.252279 0.996948 ESP Fit Center 6899 is at -4.851465 3.926006 0.996948 ESP Fit Center 6900 is at 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ESP Fit Center 6919 is at -4.076497 4.461780 0.183237 ESP Fit Center 6920 is at -4.387502 4.196156 0.183237 ESP Fit Center 6921 is at -4.653125 3.885151 0.183237 ESP Fit Center 6922 is at -4.866827 3.536422 0.183237 ESP Fit Center 6923 is at -5.023344 3.158556 0.183237 ESP Fit Center 6924 is at -5.118823 2.760858 0.183237 ESP Fit Center 6925 is at -5.150912 2.353120 0.183237 ESP Fit Center 6926 is at -3.254523 4.671701 -0.193808 ESP Fit Center 6927 is at -3.636152 4.518350 -0.193808 ESP Fit Center 6928 is at -3.986375 4.302710 -0.193808 ESP Fit Center 6929 is at -4.295116 4.030983 -0.193808 ESP Fit Center 6930 is at -4.553495 3.710987 -0.193808 ESP Fit Center 6931 is at -4.754077 3.351928 -0.193808 ESP Fit Center 6932 is at -4.891093 2.964135 -0.193808 ESP Fit Center 6933 is at -4.960601 2.558764 -0.193808 ESP Fit Center 6934 is at -3.260459 4.421848 -0.539579 ESP Fit Center 6935 is at -3.639030 4.248961 -0.539579 ESP Fit Center 6936 is at -3.978040 4.007553 -0.539579 ESP Fit Center 6937 is at -4.265237 3.706349 -0.539579 ESP Fit Center 6938 is at -4.490241 3.356237 -0.539579 ESP Fit Center 6939 is at -4.644919 2.969869 -0.539579 ESP Fit Center 6940 is at -4.723681 2.561210 -0.539579 ESP Fit Center 6941 is at -3.249388 4.122341 -0.846353 ESP Fit Center 6942 is at -3.613237 3.929440 -0.846353 ESP Fit Center 6943 is at -3.927112 3.662833 -0.846353 ESP Fit Center 6944 is at -4.176336 3.334984 -0.846353 ESP Fit Center 6945 is at -4.349256 2.961225 -0.846353 ESP Fit Center 6946 is at -3.333114 3.719099 -1.107277 ESP Fit Center 6947 is at -3.659783 3.468437 -1.107277 ESP Fit Center 6948 is at -3.910444 3.141768 -1.107277 ESP Fit Center 6949 is at -3.475114 3.134026 -1.316521 ESP Fit Center 6950 is at -0.103633 0.409507 2.752159 ESP Fit Center 6951 is at -2.901377 1.382467 -2.326609 ESP Fit Center 6952 is at -2.901377 0.973071 -2.326609 ESP Fit Center 6953 is at -2.563445 0.965519 -2.562733 ESP Fit Center 6954 is at -2.399861 0.531045 -2.800749 ESP Fit Center 6955 is at 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ESP Fit Center 7010 is at -2.931078 4.214621 -1.317141 ESP Fit Center 7011 is at -3.096924 3.828154 -1.317141 ESP Fit Center 7012 is at -3.181580 3.416214 -1.317141 ESP Fit Center 7013 is at -1.641073 4.967210 -1.659832 ESP Fit Center 7014 is at -2.033037 4.798133 -1.659832 ESP Fit Center 7015 is at -2.375443 4.543221 -1.659832 ESP Fit Center 7016 is at -2.649833 4.216216 -1.659832 ESP Fit Center 7017 is at -2.841414 3.834746 -1.659832 ESP Fit Center 7018 is at 0.576438 2.711087 3.982804 ESP Fit Center 7019 is at 0.993193 2.711087 3.946343 ESP Fit Center 7020 is at 0.784816 3.072008 3.946343 ESP Fit Center 7021 is at 0.368060 3.072008 3.946343 ESP Fit Center 7022 is at 0.159682 2.711087 3.946343 ESP Fit Center 7023 is at 0.368060 2.350166 3.946343 ESP Fit Center 7024 is at 0.784816 2.350166 3.946343 ESP Fit Center 7025 is at 1.397286 2.711087 3.838066 ESP Fit Center 7026 is at 1.287313 3.121511 3.838066 ESP Fit Center 7027 is at 0.986862 3.421963 3.838066 ESP Fit Center 7028 is at 0.576438 3.531935 3.838066 ESP Fit Center 7029 is at 0.166014 3.421963 3.838066 ESP Fit Center 7030 is at -0.134438 3.121511 3.838066 ESP Fit Center 7031 is at -0.244411 2.711087 3.838066 ESP Fit Center 7032 is at -0.134438 2.300663 3.838066 ESP Fit Center 7033 is at 0.166014 2.000212 3.838066 ESP Fit Center 7034 is at 0.576438 1.890239 3.838066 ESP Fit Center 7035 is at 0.986862 2.000212 3.838066 ESP Fit Center 7036 is at 1.287313 2.300663 3.838066 ESP Fit Center 7037 is at 1.776438 2.711087 3.661265 ESP Fit Center 7038 is at 1.704069 3.121511 3.661265 ESP Fit Center 7039 is at 1.495691 3.482432 3.661265 ESP Fit Center 7040 is at 1.176438 3.750318 3.661265 ESP Fit Center 7041 is at 0.784816 3.892856 3.661265 ESP Fit Center 7042 is at 0.368060 3.892856 3.661265 ESP Fit Center 7043 is at -0.023562 3.750318 3.661265 ESP Fit Center 7044 is at -0.342815 3.482432 3.661265 ESP Fit Center 7045 is at -0.551193 3.121511 3.661265 ESP Fit Center 7046 is at -0.623562 2.711087 3.661265 ESP Fit Center 7047 is at -0.551193 2.300663 3.661265 ESP Fit Center 7048 is at -0.342815 1.939742 3.661265 ESP Fit Center 7049 is at -0.023562 1.671857 3.661265 ESP Fit Center 7050 is at 0.368060 1.529318 3.661265 ESP Fit Center 7051 is at 0.784816 1.529318 3.661265 ESP Fit Center 7052 is at 1.176438 1.671857 3.661265 ESP Fit Center 7053 is at 1.495691 1.939742 3.661265 ESP Fit Center 7054 is at 1.704069 2.300663 3.661265 ESP Fit Center 7055 is at 2.119128 2.711087 3.421311 ESP Fit Center 7056 is at 2.061921 3.127300 3.421311 ESP Fit Center 7057 is at 1.894542 3.512644 3.421311 ESP Fit Center 7058 is at 1.629406 3.838541 3.421311 ESP Fit Center 7059 is at 1.286176 4.080819 3.421311 ESP Fit Center 7060 is at 0.890307 4.221511 3.421311 ESP Fit Center 7061 is at 0.471161 4.250181 3.421311 ESP Fit Center 7062 is at 0.059822 4.164704 3.421311 ESP Fit Center 7063 is at -0.313201 3.971419 3.421311 ESP Fit Center 7064 is at -0.620244 3.684660 3.421311 ESP Fit Center 7065 is at -0.838535 3.325697 3.421311 ESP Fit Center 7066 is at -0.838535 2.096478 3.421311 ESP Fit Center 7067 is at -0.620244 1.737514 3.421311 ESP Fit Center 7068 is at -0.313201 1.450756 3.421311 ESP Fit Center 7069 is at 0.059822 1.257470 3.421311 ESP Fit Center 7070 is at 0.471161 1.171993 3.421311 ESP Fit Center 7071 is at 0.890307 1.200664 3.421311 ESP Fit Center 7072 is at 1.286176 1.341355 3.421311 ESP Fit Center 7073 is at 1.629406 1.583634 3.421311 ESP Fit Center 7074 is at 1.894542 1.909530 3.421311 ESP Fit Center 7075 is at 2.061921 2.294874 3.421311 ESP Fit Center 7076 is at 2.414945 2.711087 3.125494 ESP Fit Center 7077 is at 2.365387 3.135076 3.125494 ESP Fit Center 7078 is at 2.219387 3.536207 3.125494 ESP Fit Center 7079 is at 1.984816 3.892856 3.125494 ESP Fit Center 7080 is at 1.674318 4.185796 3.125494 ESP Fit Center 7081 is at 1.304633 4.399234 3.125494 ESP Fit Center 7082 is at 0.895691 4.521663 3.125494 ESP Fit Center 7083 is at 0.469538 4.546483 3.125494 ESP Fit Center 7084 is at 0.049148 4.472357 3.125494 ESP Fit Center 7085 is at -0.342815 4.303281 3.125494 ESP Fit Center 7086 is at -0.685222 4.048368 3.125494 ESP Fit Center 7087 is at -0.959612 3.721363 3.125494 ESP Fit Center 7088 is at -0.342815 1.118894 3.125494 ESP Fit Center 7089 is at 0.049148 0.949817 3.125494 ESP Fit Center 7090 is at 0.469538 0.875691 3.125494 ESP Fit Center 7091 is at 0.895691 0.900511 3.125494 ESP Fit Center 7092 is at 2.219387 1.885967 3.125494 ESP Fit Center 7093 is at 2.365387 2.287098 3.125494 ESP Fit Center 7094 is at 0.471166 4.786880 2.782804 ESP Fit Center 7095 is at 0.055466 4.723198 2.782804 ESP Fit Center 7096 is at -0.338904 4.577139 2.782804 ESP Fit Center 7097 is at -0.695801 4.354684 2.782804 ESP Fit Center 7098 is at 0.055466 0.698977 2.782804 ESP Fit Center 7099 is at 0.471166 0.635294 2.782804 ESP Fit Center 7100 is at -0.900445 4.415501 2.403652 ESP Fit Center 7101 is at 2.213450 4.934230 2.173625 ESP Fit Center 7102 is at 1.870220 5.176508 2.173625 ESP Fit Center 7103 is at 1.474351 5.317200 2.173625 ESP Fit Center 7104 is at 1.055205 5.345870 2.173625 ESP Fit Center 7105 is at 2.803431 4.631897 1.877809 ESP Fit Center 7106 is at 2.568860 4.988546 1.877809 ESP Fit Center 7107 is at 2.258362 5.281485 1.877809 ESP Fit Center 7108 is at 1.888677 5.494923 1.877809 ESP Fit Center 7109 is at 1.479735 5.617352 1.877809 ESP Fit Center 7110 is at 1.053582 5.642173 1.877809 ESP Fit Center 7111 is at 0.633192 5.568046 1.877809 ESP Fit Center 7112 is at 3.070500 4.626430 1.535118 ESP Fit Center 7113 is at 2.866406 4.994135 1.535118 ESP Fit Center 7114 is at 2.592473 5.313230 1.535118 ESP Fit Center 7115 is at 2.259913 5.570650 1.535118 ESP Fit Center 7116 is at 1.882342 5.755858 1.535118 ESP Fit Center 7117 is at 1.475218 5.861269 1.535118 ESP Fit Center 7118 is at 1.055209 5.882570 1.535118 ESP Fit Center 7119 is at 0.639510 5.818887 1.535118 ESP Fit Center 7120 is at 0.245140 5.672828 1.535118 ESP Fit Center 7121 is at -0.111757 5.450373 1.535118 ESP Fit Center 7122 is at 3.254195 4.644973 1.155967 ESP Fit Center 7123 is at 3.057729 5.026063 1.155967 ESP Fit Center 7124 is at 2.792692 5.363086 1.155967 ESP Fit Center 7125 is at 2.468662 5.643859 1.155967 ESP Fit Center 7126 is at 2.097352 5.858235 1.155967 ESP Fit Center 7127 is at 1.692180 5.998466 1.155967 ESP Fit Center 7128 is at 1.267791 6.059484 1.155967 ESP Fit Center 7129 is at 0.839524 6.039083 1.155967 ESP Fit Center 7130 is at 0.422858 5.938001 1.155967 ESP Fit Center 7131 is at 0.032851 5.759891 1.155967 ESP Fit Center 7132 is at -0.316401 5.511190 1.155967 ESP Fit Center 7133 is at 3.486037 4.228802 0.751874 ESP Fit Center 7134 is at 3.373309 4.637264 0.751874 ESP Fit Center 7135 is at 3.189459 5.019034 0.751874 ESP Fit Center 7136 is at 2.940395 5.361840 0.751874 ESP Fit Center 7137 is at 2.634124 5.654665 0.751874 ESP Fit Center 7138 is at 2.280489 5.888098 0.751874 ESP Fit Center 7139 is at 1.890855 6.054635 0.751874 ESP Fit Center 7140 is at 1.477747 6.148924 0.751874 ESP Fit Center 7141 is at 1.054442 6.167935 0.751874 ESP Fit Center 7142 is at 0.634545 6.111056 0.751874 ESP Fit Center 7143 is at 0.231552 5.980116 0.751874 ESP Fit Center 7144 is at -0.141585 5.779322 0.751874 ESP Fit Center 7145 is at -0.472872 5.515130 0.751874 ESP Fit Center 7146 is at 3.524020 4.223532 0.335118 ESP Fit Center 7147 is at 3.415744 4.627625 0.335118 ESP Fit Center 7148 is at 3.238943 5.006776 0.335118 ESP Fit Center 7149 is at 2.998988 5.349467 0.335118 ESP Fit Center 7150 is at 2.703172 5.645283 0.335118 ESP Fit Center 7151 is at 2.360482 5.885237 0.335118 ESP Fit Center 7152 is at 1.981330 6.062039 0.335118 ESP Fit Center 7153 is at 1.577237 6.170315 0.335118 ESP Fit Center 7154 is at 1.160482 6.206776 0.335118 ESP Fit Center 7155 is at 0.743726 6.170315 0.335118 ESP Fit Center 7156 is at 0.339633 6.062039 0.335118 ESP Fit Center 7157 is at -0.039518 5.885237 0.335118 ESP Fit Center 7158 is at -0.382209 5.645283 0.335118 ESP Fit Center 7159 is at 3.486037 4.228802 -0.081637 ESP Fit Center 7160 is at 3.373309 4.637264 -0.081637 ESP Fit Center 7161 is at 3.189459 5.019034 -0.081637 ESP Fit Center 7162 is at 2.940395 5.361840 -0.081637 ESP Fit Center 7163 is at 2.634124 5.654665 -0.081637 ESP Fit Center 7164 is at 2.280489 5.888098 -0.081637 ESP Fit Center 7165 is at 1.890855 6.054635 -0.081637 ESP Fit Center 7166 is at 1.477747 6.148924 -0.081637 ESP Fit Center 7167 is at 1.054442 6.167935 -0.081637 ESP Fit Center 7168 is at 0.634545 6.111056 -0.081637 ESP Fit Center 7169 is at 0.231552 5.980116 -0.081637 ESP Fit Center 7170 is at -0.141585 5.779322 -0.081637 ESP Fit Center 7171 is at 3.374988 4.233588 -0.485730 ESP Fit Center 7172 is at 3.254195 4.644973 -0.485730 ESP Fit Center 7173 is at 3.057729 5.026063 -0.485730 ESP Fit Center 7174 is at 2.792692 5.363086 -0.485730 ESP Fit Center 7175 is at 2.468662 5.643859 -0.485730 ESP Fit Center 7176 is at 2.097352 5.858235 -0.485730 ESP Fit Center 7177 is at 1.692180 5.998466 -0.485730 ESP Fit Center 7178 is at 1.267791 6.059484 -0.485730 ESP Fit Center 7179 is at 0.839524 6.039083 -0.485730 ESP Fit Center 7180 is at 0.422858 5.938001 -0.485730 ESP Fit Center 7181 is at 0.032851 5.759891 -0.485730 ESP Fit Center 7182 is at -0.316401 5.511190 -0.485730 ESP Fit Center 7183 is at 3.196396 4.225167 -0.864882 ESP Fit Center 7184 is at 3.070500 4.626430 -0.864882 ESP Fit Center 7185 is at 2.866406 4.994135 -0.864882 ESP Fit Center 7186 is at 2.592473 5.313230 -0.864882 ESP Fit Center 7187 is at 2.259913 5.570650 -0.864882 ESP Fit Center 7188 is at 1.882342 5.755858 -0.864882 ESP Fit Center 7189 is at 1.475218 5.861269 -0.864882 ESP Fit Center 7190 is at 1.055209 5.882570 -0.864882 ESP Fit Center 7191 is at 0.639510 5.818887 -0.864882 ESP Fit Center 7192 is at 0.245140 5.672828 -0.864882 ESP Fit Center 7193 is at -0.111757 5.450373 -0.864882 ESP Fit Center 7194 is at 2.949431 4.230765 -1.207572 ESP Fit Center 7195 is at 2.803431 4.631897 -1.207572 ESP Fit Center 7196 is at 2.568860 4.988546 -1.207572 ESP Fit Center 7197 is at 2.258362 5.281485 -1.207572 ESP Fit Center 7198 is at 1.888677 5.494923 -1.207572 ESP Fit Center 7199 is at 1.479735 5.617352 -1.207572 ESP Fit Center 7200 is at 1.053582 5.642173 -1.207572 ESP Fit Center 7201 is at 0.633192 5.568046 -1.207572 ESP Fit Center 7202 is at 0.241228 5.398970 -1.207572 ESP Fit Center 7203 is at 2.645965 4.222989 -1.503388 ESP Fit Center 7204 is at 2.478586 4.608333 -1.503388 ESP Fit Center 7205 is at 2.213450 4.934230 -1.503388 ESP Fit Center 7206 is at 1.870220 5.176508 -1.503388 ESP Fit Center 7207 is at 1.474351 5.317200 -1.503388 ESP Fit Center 7208 is at 1.055205 5.345870 -1.503388 ESP Fit Center 7209 is at 0.643866 5.260393 -1.503388 ESP Fit Center 7210 is at 2.288113 4.217201 -1.743343 ESP Fit Center 7211 is at 2.079735 4.578121 -1.743343 ESP Fit Center 7212 is at 1.760482 4.846007 -1.743343 ESP Fit Center 7213 is at 1.368860 4.988546 -1.743343 ESP Fit Center 7214 is at -3.838274 0.323479 3.696802 ESP Fit Center 7215 is at -4.046652 0.684400 3.660340 ESP Fit Center 7216 is at -4.255030 0.323479 3.660340 ESP Fit Center 7217 is at -4.046652 -0.037442 3.660340 ESP Fit Center 7218 is at -3.838274 1.144328 3.552064 ESP Fit Center 7219 is at -4.248698 1.034355 3.552064 ESP Fit Center 7220 is at -4.549150 0.733903 3.552064 ESP Fit Center 7221 is at -4.659122 0.323479 3.552064 ESP Fit Center 7222 is at -4.549150 -0.086945 3.552064 ESP Fit Center 7223 is at -4.248698 -0.387396 3.552064 ESP Fit Center 7224 is at -4.438274 1.362710 3.375263 ESP Fit Center 7225 is at -4.757527 1.094824 3.375263 ESP Fit Center 7226 is at -4.965905 0.733903 3.375263 ESP Fit Center 7227 is at -5.038274 0.323479 3.375263 ESP Fit Center 7228 is at -4.965905 -0.086945 3.375263 ESP Fit Center 7229 is at -4.757527 -0.447866 3.375263 ESP Fit Center 7230 is at -4.438274 -0.715751 3.375263 ESP Fit Center 7231 is at -4.727913 1.583811 3.135308 ESP Fit Center 7232 is at -5.034956 1.297052 3.135308 ESP Fit Center 7233 is at -5.253247 0.938089 3.135308 ESP Fit Center 7234 is at -5.366596 0.533542 3.135308 ESP Fit Center 7235 is at -5.366596 0.113416 3.135308 ESP Fit Center 7236 is at -5.253247 -0.291130 3.135308 ESP Fit Center 7237 is at -5.034956 -0.650094 3.135308 ESP Fit Center 7238 is at -4.727913 -0.936852 3.135308 ESP Fit Center 7239 is at -4.354890 -1.130138 3.135308 ESP Fit Center 7240 is at -5.099934 1.660760 2.839492 ESP Fit Center 7241 is at -5.374324 1.333755 2.839492 ESP Fit Center 7242 is at -5.565905 0.952285 2.839492 ESP Fit Center 7243 is at -5.664349 0.536917 2.839492 ESP Fit Center 7244 is at -5.664349 0.110042 2.839492 ESP Fit Center 7245 is at -5.565905 -0.305327 2.839492 ESP Fit Center 7246 is at -5.374324 -0.686797 2.839492 ESP Fit Center 7247 is at -5.099934 -1.013802 2.839492 ESP Fit Center 7248 is at -4.757527 -1.268714 2.839492 ESP Fit Center 7249 is at -5.110512 1.967076 2.496802 ESP Fit Center 7250 is at -5.415323 1.677331 2.496802 ESP Fit Center 7251 is at -5.655569 1.332160 2.496802 ESP Fit Center 7252 is at -5.821415 0.945694 2.496802 ESP Fit Center 7253 is at -5.906071 0.533754 2.496802 ESP Fit Center 7254 is at -5.906071 0.113205 2.496802 ESP Fit Center 7255 is at -5.821415 -0.298735 2.496802 ESP Fit Center 7256 is at -5.655569 -0.685202 2.496802 ESP Fit Center 7257 is at -5.415323 -1.030373 2.496802 ESP Fit Center 7258 is at -5.315157 2.027893 2.117650 ESP Fit Center 7259 is at -5.611030 1.717590 2.117650 ESP Fit Center 7260 is at -5.842831 1.356900 2.117650 ESP Fit Center 7261 is at -6.002182 0.958860 2.117650 ESP Fit Center 7262 is at -6.083324 0.537855 2.117650 ESP Fit Center 7263 is at -6.083324 0.109103 2.117650 ESP Fit Center 7264 is at -6.002182 -0.311902 2.117650 ESP Fit Center 7265 is at -5.842831 -0.709942 2.117650 ESP Fit Center 7266 is at -5.611030 -1.070631 2.117650 ESP Fit Center 7267 is at -5.471627 2.031833 1.713557 ESP Fit Center 7268 is at -5.750417 1.712732 1.713557 ESP Fit Center 7269 is at -5.967749 1.348980 1.713557 ESP Fit Center 7270 is at -6.116637 0.952268 1.713557 ESP Fit Center 7271 is at -6.192298 0.535345 1.713557 ESP Fit Center 7272 is at -6.192298 0.111613 1.713557 ESP Fit Center 7273 is at -6.116637 -0.305309 1.713557 ESP Fit Center 7274 is at -5.967749 -0.702022 1.713557 ESP Fit Center 7275 is at -5.380964 2.161986 1.296802 ESP Fit Center 7276 is at -5.676781 1.866169 1.296802 ESP Fit Center 7277 is at -5.916735 1.523479 1.296802 ESP Fit Center 7278 is at -6.093536 1.144328 1.296802 ESP Fit Center 7279 is at -6.201813 0.740235 1.296802 ESP Fit Center 7280 is at -6.238274 0.323479 1.296802 ESP Fit Center 7281 is at -6.201813 -0.093276 1.296802 ESP Fit Center 7282 is at -6.093536 -0.497369 1.296802 ESP Fit Center 7283 is at -5.471627 2.031833 0.880046 ESP Fit Center 7284 is at -5.750417 1.712732 0.880046 ESP Fit Center 7285 is at -5.967749 1.348980 0.880046 ESP Fit Center 7286 is at -6.116637 0.952268 0.880046 ESP Fit Center 7287 is at -6.192298 0.535345 0.880046 ESP Fit Center 7288 is at -6.192298 0.111613 0.880046 ESP Fit Center 7289 is at -6.116637 -0.305309 0.880046 ESP Fit Center 7290 is at -5.611030 1.717590 0.475953 ESP Fit Center 7291 is at -5.842831 1.356900 0.475953 ESP Fit Center 7292 is at -6.002182 0.958860 0.475953 ESP Fit Center 7293 is at -6.083324 0.537855 0.475953 ESP Fit Center 7294 is at -6.083324 0.109103 0.475953 ESP Fit Center 7295 is at -6.002182 -0.311902 0.475953 ESP Fit Center 7296 is at -5.821415 0.945694 0.096802 ESP Fit Center 7297 is at -5.906071 0.533754 0.096802 ESP Fit Center 7298 is at -5.906071 0.113205 0.096802 ESP Fit Center 7299 is at -0.629532 0.394808 -3.606287 ESP Fit Center 7300 is at -0.744060 -0.013950 -3.606287 ESP Fit Center 7301 is at -0.744060 -0.438450 -3.606287 ESP Fit Center 7302 is at 2.301122 -0.646746 -3.606287 ESP Fit Center 7303 is at 1.995376 -0.226200 -3.794663 ESP Fit Center 7304 is at 1.923297 0.182583 -3.794663 ESP Fit Center 7305 is at -0.115406 0.542062 -3.794663 ESP Fit Center 7306 is at -0.322951 0.182583 -3.794663 ESP Fit Center 7307 is at -0.395030 -0.226200 -3.794663 ESP Fit Center 7308 is at 1.609563 -0.226200 -3.931781 ESP Fit Center 7309 is at 1.501126 0.178495 -3.931781 ESP Fit Center 7310 is at 0.395478 0.474752 -3.931781 ESP Fit Center 7311 is at 0.099221 0.178495 -3.931781 ESP Fit Center 7312 is at -0.009217 -0.226200 -3.931781 ESP Fit Center 7313 is at 1.208673 -0.226200 -4.015087 ESP Fit Center 7314 is at 1.004423 0.127571 -4.015087 ESP Fit Center 7315 is at 0.595923 0.127571 -4.015087 ESP Fit Center 7316 is at 0.391673 -0.226200 -4.015087 ESP Fit Center 7317 is at 0.800173 -0.226200 -4.043029 ESP Fit Center 7318 is at -1.455390 -2.707858 2.383902 ESP Fit Center 7319 is at -1.250478 -3.062777 2.383902 ESP Fit Center 7320 is at -0.840653 -3.062777 2.383902 ESP Fit Center 7321 is at -1.750227 -3.114695 2.309894 ESP Fit Center 7322 is at -1.452402 -3.412520 2.309894 ESP Fit Center 7323 is at -1.045565 -3.521531 2.309894 ESP Fit Center 7324 is at -0.638729 -3.412520 2.309894 ESP Fit Center 7325 is at -1.969152 -3.482839 2.187747 ESP Fit Center 7326 is at -1.648393 -3.751987 2.187747 ESP Fit Center 7327 is at -1.254925 -3.895198 2.187747 ESP Fit Center 7328 is at -0.836205 -3.895198 2.187747 ESP Fit Center 7329 is at -0.442737 -3.751987 2.187747 ESP Fit Center 7330 is at -2.162835 -3.825129 2.019242 ESP Fit Center 7331 is at -1.835595 -4.076229 2.019242 ESP Fit Center 7332 is at -1.454514 -4.234078 2.019242 ESP Fit Center 7333 is at -1.045565 -4.287917 2.019242 ESP Fit Center 7334 is at -0.636616 -4.234078 2.019242 ESP Fit Center 7335 is at -0.255536 -4.076229 2.019242 ESP Fit Center 7336 is at 0.071705 -3.825129 2.019242 ESP Fit Center 7337 is at -2.447767 -4.036095 1.806837 ESP Fit Center 7338 is at -2.129453 -4.306473 1.806837 ESP Fit Center 7339 is at -1.760457 -4.502103 1.806837 ESP Fit Center 7340 is at -1.358034 -4.613835 1.806837 ESP Fit Center 7341 is at -0.941000 -4.636446 1.806837 ESP Fit Center 7342 is at -0.528856 -4.568878 1.806837 ESP Fit Center 7343 is at -0.140872 -4.414291 1.806837 ESP Fit Center 7344 is at 0.204810 -4.179913 1.806837 ESP Fit Center 7345 is at -2.404275 -4.507081 1.553628 ESP Fit Center 7346 is at -2.050534 -4.726109 1.553628 ESP Fit Center 7347 is at -1.662570 -4.876407 1.553628 ESP Fit Center 7348 is at -1.253595 -4.952857 1.553628 ESP Fit Center 7349 is at -0.837535 -4.952857 1.553628 ESP Fit Center 7350 is at -0.428560 -4.876407 1.553628 ESP Fit Center 7351 is at -0.040596 -4.726109 1.553628 ESP Fit Center 7352 is at 0.313145 -4.507081 1.553628 ESP Fit Center 7353 is at -2.769204 -4.580229 1.263309 ESP Fit Center 7354 is at -2.437514 -4.838394 1.263309 ESP Fit Center 7355 is at -2.067855 -5.038443 1.263309 ESP Fit Center 7356 is at -1.670310 -5.174920 1.263309 ESP Fit Center 7357 is at -1.255724 -5.244103 1.263309 ESP Fit Center 7358 is at -0.835406 -5.244103 1.263309 ESP Fit Center 7359 is at -0.420820 -5.174920 1.263309 ESP Fit Center 7360 is at -0.023276 -5.038443 1.263309 ESP Fit Center 7361 is at 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7523 is at -0.840118 -5.711390 -2.571367 ESP Fit Center 7524 is at -0.433051 -5.655440 -2.571367 ESP Fit Center 7525 is at -0.037393 -5.544582 -2.571367 ESP Fit Center 7526 is at 0.339484 -5.380881 -2.571367 ESP Fit Center 7527 is at 0.690560 -5.167387 -2.571367 ESP Fit Center 7528 is at 1.009296 -4.908077 -2.571367 ESP Fit Center 7529 is at 1.289753 -4.607780 -2.571367 ESP Fit Center 7530 is at 1.526708 -4.272092 -2.571367 ESP Fit Center 7531 is at 1.715746 -3.907265 -2.571367 ESP Fit Center 7532 is at 1.853346 -3.520095 -2.571367 ESP Fit Center 7533 is at 1.936945 -3.117795 -2.571367 ESP Fit Center 7534 is at -3.096751 -0.804636 -2.922728 ESP Fit Center 7535 is at -3.357501 -1.131607 -2.922728 ESP Fit Center 7536 is at -3.566607 -1.493789 -2.922728 ESP Fit Center 7537 is at -3.719397 -1.883090 -2.922728 ESP Fit Center 7538 is at -3.812457 -2.290816 -2.922728 ESP Fit Center 7539 is at -3.843710 -2.707858 -2.922728 ESP Fit Center 7540 is at -3.812457 -3.124900 -2.922728 ESP Fit Center 7541 is at -3.719397 -3.532626 -2.922728 ESP Fit Center 7542 is at -3.566607 -3.921928 -2.922728 ESP Fit Center 7543 is at -3.357501 -4.284110 -2.922728 ESP Fit Center 7544 is at -3.096751 -4.611080 -2.922728 ESP Fit Center 7545 is at -2.790180 -4.895536 -2.922728 ESP Fit Center 7546 is at -2.444638 -5.131123 -2.922728 ESP Fit Center 7547 is at -2.067842 -5.312578 -2.922728 ESP Fit Center 7548 is at -1.668211 -5.435848 -2.922728 ESP Fit Center 7549 is at -1.254671 -5.498179 -2.922728 ESP Fit Center 7550 is at -0.836460 -5.498179 -2.922728 ESP Fit Center 7551 is at -0.422919 -5.435848 -2.922728 ESP Fit Center 7552 is at -0.023288 -5.312578 -2.922728 ESP Fit Center 7553 is at 0.353507 -5.131123 -2.922728 ESP Fit Center 7554 is at 0.699050 -4.895536 -2.922728 ESP Fit Center 7555 is at 1.005620 -4.611080 -2.922728 ESP Fit Center 7556 is at 1.266371 -4.284110 -2.922728 ESP Fit Center 7557 is at 1.475477 -3.921928 -2.922728 ESP Fit Center 7558 is at 1.628266 -3.532626 -2.922728 ESP Fit Center 7559 is at 1.721327 -3.124900 -2.922728 ESP Fit Center 7560 is at -2.067855 -0.377273 -3.245925 ESP Fit Center 7561 is at -2.437514 -0.577323 -3.245925 ESP Fit Center 7562 is at -2.769204 -0.835488 -3.245925 ESP Fit Center 7563 is at -3.053878 -1.144726 -3.245925 ESP Fit Center 7564 is at -3.283770 -1.496602 -3.245925 ESP Fit Center 7565 is at -3.452610 -1.881519 -3.245925 ESP Fit Center 7566 is at -3.555792 -2.288975 -3.245925 ESP Fit Center 7567 is at -3.590502 -2.707858 -3.245925 ESP Fit Center 7568 is at -3.555792 -3.126741 -3.245925 ESP Fit Center 7569 is at -3.452610 -3.534198 -3.245925 ESP Fit Center 7570 is at -3.283770 -3.919114 -3.245925 ESP Fit Center 7571 is at -3.053878 -4.270991 -3.245925 ESP Fit Center 7572 is at -2.769204 -4.580229 -3.245925 ESP Fit Center 7573 is at -2.437514 -4.838394 -3.245925 ESP Fit Center 7574 is at -2.067855 -5.038443 -3.245925 ESP Fit Center 7575 is at -1.670310 -5.174920 -3.245925 ESP Fit Center 7576 is at -1.255724 -5.244103 -3.245925 ESP Fit Center 7577 is at -0.835406 -5.244103 -3.245925 ESP Fit Center 7578 is at -0.420820 -5.174920 -3.245925 ESP Fit Center 7579 is at -0.023276 -5.038443 -3.245925 ESP Fit Center 7580 is at 0.346383 -4.838394 -3.245925 ESP Fit Center 7581 is at 0.678073 -4.580229 -3.245925 ESP Fit Center 7582 is at 0.962747 -4.270991 -3.245925 ESP Fit Center 7583 is at 1.192640 -3.919114 -3.245925 ESP Fit Center 7584 is at 1.361480 -3.534198 -3.245925 ESP Fit Center 7585 is at 1.464662 -3.126741 -3.245925 ESP Fit Center 7586 is at 1.209052 -2.707858 -3.536245 ESP Fit Center 7587 is at -1.253595 -0.462859 -3.536245 ESP Fit Center 7588 is at -1.662570 -0.539310 -3.536245 ESP Fit Center 7589 is at -2.050534 -0.689608 -3.536245 ESP Fit Center 7590 is at -2.404275 -0.908635 -3.536245 ESP Fit Center 7591 is at -2.711747 -1.188933 -3.536245 ESP Fit Center 7592 is at -2.962479 -1.520955 -3.536245 ESP Fit Center 7593 is at -3.147933 -1.893397 -3.536245 ESP Fit Center 7594 is at -3.261793 -2.293573 -3.536245 ESP Fit Center 7595 is at -3.300182 -2.707858 -3.536245 ESP Fit Center 7596 is at -3.261793 -3.122143 -3.536245 ESP Fit Center 7597 is at -3.147933 -3.522320 -3.536245 ESP Fit Center 7598 is at -2.962479 -3.894761 -3.536245 ESP Fit Center 7599 is at -2.711747 -4.226784 -3.536245 ESP Fit Center 7600 is at -2.404275 -4.507081 -3.536245 ESP Fit Center 7601 is at -2.050534 -4.726109 -3.536245 ESP Fit Center 7602 is at -1.662570 -4.876407 -3.536245 ESP Fit Center 7603 is at -1.253595 -4.952857 -3.536245 ESP Fit Center 7604 is at -0.837535 -4.952857 -3.536245 ESP Fit Center 7605 is at -0.428560 -4.876407 -3.536245 ESP Fit Center 7606 is at -0.040596 -4.726109 -3.536245 ESP Fit Center 7607 is at 0.313145 -4.507081 -3.536245 ESP Fit Center 7608 is at 0.620617 -4.226784 -3.536245 ESP Fit Center 7609 is at 0.871349 -3.894761 -3.536245 ESP Fit Center 7610 is at 1.056803 -3.522320 -3.536245 ESP Fit Center 7611 is at 1.170663 -3.122143 -3.536245 ESP Fit Center 7612 is at 0.885855 -2.707858 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-2.298909 -4.001859 ESP Fit Center 7649 is at -2.625624 -2.707858 -4.001859 ESP Fit Center 7650 is at -2.571785 -3.116808 -4.001859 ESP Fit Center 7651 is at -2.413936 -3.497888 -4.001859 ESP Fit Center 7652 is at -2.162835 -3.825129 -4.001859 ESP Fit Center 7653 is at -1.835595 -4.076229 -4.001859 ESP Fit Center 7654 is at -1.454514 -4.234078 -4.001859 ESP Fit Center 7655 is at -1.045565 -4.287917 -4.001859 ESP Fit Center 7656 is at -0.636616 -4.234078 -4.001859 ESP Fit Center 7657 is at -0.255536 -4.076229 -4.001859 ESP Fit Center 7658 is at 0.071705 -3.825129 -4.001859 ESP Fit Center 7659 is at 0.322806 -3.497888 -4.001859 ESP Fit Center 7660 is at 0.480654 -3.116808 -4.001859 ESP Fit Center 7661 is at 0.160091 -2.707858 -4.170364 ESP Fit Center 7662 is at 0.087381 -2.295499 -4.170364 ESP Fit Center 7663 is at -0.121979 -1.932877 -4.170364 ESP Fit Center 7664 is at -0.442737 -1.663729 -4.170364 ESP Fit Center 7665 is at -0.836205 -1.520518 -4.170364 ESP Fit Center 7666 is at 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is at -1.750227 -2.301022 -4.292510 ESP Fit Center 7685 is at -1.859238 -2.707858 -4.292510 ESP Fit Center 7686 is at -1.750227 -3.114695 -4.292510 ESP Fit Center 7687 is at -1.452402 -3.412520 -4.292510 ESP Fit Center 7688 is at -1.045565 -3.521531 -4.292510 ESP Fit Center 7689 is at -0.638729 -3.412520 -4.292510 ESP Fit Center 7690 is at -0.340903 -3.114695 -4.292510 ESP Fit Center 7691 is at -0.635740 -2.707858 -4.366518 ESP Fit Center 7692 is at -0.840653 -2.352940 -4.366518 ESP Fit Center 7693 is at -1.250478 -2.352940 -4.366518 ESP Fit Center 7694 is at -1.455390 -2.707858 -4.366518 ESP Fit Center 7695 is at -1.250478 -3.062777 -4.366518 ESP Fit Center 7696 is at -0.840653 -3.062777 -4.366518 ESP Fit Center 7697 is at -1.045565 -2.707858 -4.391308 ESP Fit Center 7698 is at 3.523066 2.134358 1.882894 ESP Fit Center 7699 is at 3.720474 2.552749 1.540203 ESP Fit Center 7700 is at -1.691809 4.866770 -1.784330 ESP Fit Center 7701 is at -2.064946 4.665976 -1.784330 ESP Fit Center 7702 is at -2.396233 4.401784 -1.784330 ESP Fit Center 7703 is at -2.675022 4.082684 -1.784330 ESP Fit Center 7704 is at -2.892354 3.718931 -1.784330 ESP Fit Center 7705 is at -3.041243 3.322219 -1.784330 ESP Fit Center 7706 is at -3.116903 2.905296 -1.784330 ESP Fit Center 7707 is at -1.179635 5.056969 -2.201085 ESP Fit Center 7708 is at -1.583728 4.948693 -2.201085 ESP Fit Center 7709 is at -1.962879 4.771891 -2.201085 ESP Fit Center 7710 is at -2.305570 4.531937 -2.201085 ESP Fit Center 7711 is at -2.601386 4.236121 -2.201085 ESP Fit Center 7712 is at -2.841340 3.893430 -2.201085 ESP Fit Center 7713 is at -3.018142 3.514279 -2.201085 ESP Fit Center 7714 is at -3.126418 3.110186 -2.201085 ESP Fit Center 7715 is at -3.162879 2.693430 -2.201085 ESP Fit Center 7716 is at -3.126418 2.276675 -2.201085 ESP Fit Center 7717 is at -3.018142 1.872582 -2.201085 ESP Fit Center 7718 is at -0.868919 5.054589 -2.617841 ESP Fit Center 7719 is at -1.288816 4.997710 -2.617841 ESP Fit Center 7720 is at 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3.328811 -3.021934 ESP Fit Center 7739 is at -3.007930 2.907807 -3.021934 ESP Fit Center 7740 is at -3.007930 2.479054 -3.021934 ESP Fit Center 7741 is at -2.926788 2.058050 -3.021934 ESP Fit Center 7742 is at -2.767436 1.660009 -3.021934 ESP Fit Center 7743 is at -2.535635 1.299320 -3.021934 ESP Fit Center 7744 is at -2.239762 0.989017 -3.021934 ESP Fit Center 7745 is at -0.448143 4.747923 -3.401085 ESP Fit Center 7746 is at -0.868152 4.769224 -3.401085 ESP Fit Center 7747 is at -1.283851 4.705541 -3.401085 ESP Fit Center 7748 is at -1.678221 4.559482 -3.401085 ESP Fit Center 7749 is at -2.035118 4.337027 -3.401085 ESP Fit Center 7750 is at -2.339928 4.047283 -3.401085 ESP Fit Center 7751 is at -2.580175 3.702112 -3.401085 ESP Fit Center 7752 is at -2.746021 3.315645 -3.401085 ESP Fit Center 7753 is at -2.830676 2.903705 -3.401085 ESP Fit Center 7754 is at -2.830676 2.483156 -3.401085 ESP Fit Center 7755 is at -2.746021 2.071216 -3.401085 ESP Fit Center 7756 is at -2.580175 1.684749 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ESP Fit Center 7775 is at -0.869779 0.858034 -3.743776 ESP Fit Center 7776 is at -0.053141 4.063162 -4.039592 ESP Fit Center 7777 is at -0.449010 4.203854 -4.039592 ESP Fit Center 7778 is at -0.868156 4.232524 -4.039592 ESP Fit Center 7779 is at -1.279495 4.147047 -4.039592 ESP Fit Center 7780 is at -1.652518 3.953762 -4.039592 ESP Fit Center 7781 is at -1.959562 3.667004 -4.039592 ESP Fit Center 7782 is at -2.177852 3.308040 -4.039592 ESP Fit Center 7783 is at -2.291201 2.903493 -4.039592 ESP Fit Center 7784 is at -2.291201 2.483367 -4.039592 ESP Fit Center 7785 is at -2.177852 2.078821 -4.039592 ESP Fit Center 7786 is at -1.959562 1.719857 -4.039592 ESP Fit Center 7787 is at -1.652518 1.433099 -4.039592 ESP Fit Center 7788 is at -1.279495 1.239814 -4.039592 ESP Fit Center 7789 is at -0.868156 1.154336 -4.039592 ESP Fit Center 7790 is at -0.162879 3.732661 -4.279546 ESP Fit Center 7791 is at -0.554502 3.875200 -4.279546 ESP Fit Center 7792 is at -0.971257 3.875200 -4.279546 ESP Fit Center 7793 is at -1.362879 3.732661 -4.279546 ESP Fit Center 7794 is at -1.682133 3.464776 -4.279546 ESP Fit Center 7795 is at -1.890510 3.103855 -4.279546 ESP Fit Center 7796 is at -1.962879 2.693430 -4.279546 ESP Fit Center 7797 is at -1.890510 2.283006 -4.279546 ESP Fit Center 7798 is at -1.682133 1.922085 -4.279546 ESP Fit Center 7799 is at -1.362879 1.654200 -4.279546 ESP Fit Center 7800 is at -0.971257 1.511661 -4.279546 ESP Fit Center 7801 is at -0.554502 1.511661 -4.279546 ESP Fit Center 7802 is at -0.052004 3.103855 -4.456348 ESP Fit Center 7803 is at -0.352455 3.404306 -4.456348 ESP Fit Center 7804 is at -0.762879 3.514279 -4.456348 ESP Fit Center 7805 is at -1.173304 3.404306 -4.456348 ESP Fit Center 7806 is at -1.473755 3.103855 -4.456348 ESP Fit Center 7807 is at -1.583728 2.693430 -4.456348 ESP Fit Center 7808 is at -1.473755 2.283006 -4.456348 ESP Fit Center 7809 is at -1.173304 1.982555 -4.456348 ESP Fit Center 7810 is at -0.762879 1.872582 -4.456348 ESP Fit Center 7811 is at -0.352455 1.982555 -4.456348 ESP Fit Center 7812 is at -0.052004 2.283006 -4.456348 ESP Fit Center 7813 is at -0.346124 2.693430 -4.564624 ESP Fit Center 7814 is at -0.554502 3.054351 -4.564624 ESP Fit Center 7815 is at -0.971257 3.054351 -4.564624 ESP Fit Center 7816 is at -1.179635 2.693430 -4.564624 ESP Fit Center 7817 is at -0.971257 2.332509 -4.564624 ESP Fit Center 7818 is at -0.554502 2.332509 -4.564624 ESP Fit Center 7819 is at -0.762879 2.693430 -4.601085 ESP Fit Center 7820 is at 2.269739 -2.913148 -2.141616 ESP Fit Center 7821 is at 2.576010 -2.620323 -2.141616 ESP Fit Center 7822 is at 2.104277 -2.902342 -2.545709 ESP Fit Center 7823 is at 2.428307 -2.621568 -2.545709 ESP Fit Center 7824 is at 2.693344 -2.284546 -2.545709 ESP Fit Center 7825 is at 1.895528 -2.829133 -2.924860 ESP Fit Center 7826 is at 2.228087 -2.571713 -2.924860 ESP Fit Center 7827 is at 2.502021 -2.252618 -2.924860 ESP Fit Center 7828 is at 2.706114 -1.884913 -2.924860 ESP Fit Center 7829 is at 2.832011 -1.483650 -2.924860 ESP Fit Center 7830 is at 2.634603 -1.065259 -3.267550 ESP Fit Center 7831 is at 1.524292 -2.753406 -3.267550 ESP Fit Center 7832 is at 1.893977 -2.539968 -3.267550 ESP Fit Center 7833 is at 2.204474 -2.247029 -3.267550 ESP Fit Center 7834 is at 2.439046 -1.890380 -3.267550 ESP Fit Center 7835 is at 2.585046 -1.489248 -3.267550 ESP Fit Center 7836 is at 2.338787 -1.065259 -3.563367 ESP Fit Center 7837 is at 1.505834 -2.434991 -3.563367 ESP Fit Center 7838 is at 1.849065 -2.192713 -3.563367 ESP Fit Center 7839 is at 2.114201 -1.866816 -3.563367 ESP Fit Center 7840 is at 2.281580 -1.481472 -3.563367 ESP Fit Center 7841 is at 1.996097 -1.065259 -3.803321 ESP Fit Center 7842 is at 1.923728 -0.654835 -3.803321 ESP Fit Center 7843 is at -0.331535 -0.654835 -3.803321 ESP Fit Center 7844 is at 1.004474 -2.247029 -3.803321 ESP Fit Center 7845 is at 1.396097 -2.104490 -3.803321 ESP Fit Center 7846 is at 1.715350 -1.836604 -3.803321 ESP Fit Center 7847 is at 1.923728 -1.475683 -3.803321 ESP Fit Center 7848 is at 1.616945 -1.065259 -3.980122 ESP Fit Center 7849 is at 1.506972 -0.654835 -3.980122 ESP Fit Center 7850 is at 0.085221 -0.654835 -3.980122 ESP Fit Center 7851 is at -0.024752 -1.065259 -3.980122 ESP Fit Center 7852 is at 0.085221 -1.475683 -3.980122 ESP Fit Center 7853 is at 0.385672 -1.776135 -3.980122 ESP Fit Center 7854 is at 0.796097 -1.886108 -3.980122 ESP Fit Center 7855 is at 1.206521 -1.776135 -3.980122 ESP Fit Center 7856 is at 1.506972 -1.475683 -3.980122 ESP Fit Center 7857 is at 1.212852 -1.065259 -4.088399 ESP Fit Center 7858 is at 1.004474 -0.704338 -4.088399 ESP Fit Center 7859 is at 0.587719 -0.704338 -4.088399 ESP Fit Center 7860 is at 0.379341 -1.065259 -4.088399 ESP Fit Center 7861 is at 0.587719 -1.426180 -4.088399 ESP Fit Center 7862 is at 1.004474 -1.426180 -4.088399 ESP Fit Center 7863 is at 0.796097 -1.065259 -4.124860 ESP Fit Center 7864 is at 1.858419 0.650963 -3.866796 ESP Fit Center 7865 is at 1.748446 1.061387 -3.866796 ESP Fit Center 7866 is at 1.447994 1.361838 -3.866796 ESP Fit Center 7867 is at 0.216722 0.650963 -3.866796 ESP Fit Center 7868 is at 1.748446 0.240539 -3.866796 ESP Fit Center 7869 is at 1.454326 0.650963 -3.975073 ESP Fit Center 7870 is at 1.245948 1.011884 -3.975073 ESP Fit Center 7871 is at 0.829192 1.011884 -3.975073 ESP Fit Center 7872 is at 0.620815 0.650963 -3.975073 ESP Fit Center 7873 is at 1.245948 0.290042 -3.975073 ESP Fit Center 7874 is at 1.037570 0.650963 -4.011534 ESP Fit Center 7875 is at 1.019127 -3.291705 3.242092 ESP Fit Center 7876 is at 0.623643 -3.431675 2.962617 ESP Fit Center 7877 is at 1.002797 -3.604829 2.962617 ESP Fit Center 7878 is at 1.407870 -3.703098 2.962617 ESP Fit Center 7879 is at 0.616488 -3.721388 2.644999 ESP Fit Center 7880 is at 1.002214 -3.876385 2.644999 ESP Fit Center 7881 is at 1.408587 -3.963966 2.644999 ESP Fit Center 7882 is at 0.154239 -3.687850 2.295153 ESP Fit Center 7883 is at 0.510622 -3.906242 2.295153 ESP Fit Center 7884 is at 0.896782 -4.066194 2.295153 ESP Fit Center 7885 is at 1.303209 -4.163769 2.295153 ESP Fit Center 7886 is at 1.719896 -4.196563 2.295153 ESP Fit Center 7887 is at 0.427372 -4.046884 1.919596 ESP Fit Center 7888 is at 0.807184 -4.208287 1.919596 ESP Fit Center 7889 is at 1.206449 -4.312668 1.919596 ESP Fit Center 7890 is at 1.616657 -4.357804 1.919596 ESP Fit Center 7891 is at 2.029065 -4.342732 1.919596 ESP Fit Center 7892 is at 2.750787 -1.685728 4.762737 ESP Fit Center 7893 is at 3.159287 -1.685728 4.762737 ESP Fit Center 7894 is at 3.764427 -1.331957 4.679431 ESP Fit Center 7895 is at 2.254084 -1.736652 4.679431 ESP Fit Center 7896 is at 2.550341 -2.032909 4.679431 ESP Fit Center 7897 is at 2.955037 -2.141347 4.679431 ESP Fit Center 7898 is at 3.359732 -2.032909 4.679431 ESP Fit Center 7899 is at 3.655989 -1.736652 4.679431 ESP Fit Center 7900 is at 4.150240 -1.331957 4.542313 ESP Fit Center 7901 is at 1.831913 -1.740740 4.542313 ESP Fit Center 7902 is at 2.039458 -2.100218 4.542313 ESP Fit Center 7903 is at 2.357435 -2.367033 4.542313 ESP Fit Center 7904 is at 4.078160 -1.740740 4.542313 ESP Fit Center 7905 is at 4.513788 -1.331957 4.353937 ESP Fit Center 7906 is at 4.455986 -0.911410 4.353937 ESP Fit Center 7907 is at 1.525332 -1.952965 4.353937 ESP Fit Center 7908 is at 1.745895 -2.315666 4.353937 ESP Fit Center 7909 is at 2.056135 -2.605410 4.353937 ESP Fit Center 7910 is at 4.455986 -1.752503 4.353937 ESP Fit Center 7911 is at 4.848300 -1.331957 4.117813 ESP Fit Center 7912 is at 4.804037 -0.924961 4.117813 ESP Fit Center 7913 is at 4.673316 -0.536996 4.117813 ESP Fit Center 7914 is at 1.072871 -1.536654 4.117813 ESP Fit Center 7915 is at 1.160879 -1.936479 4.117813 ESP Fit Center 7916 is at 1.332780 -2.308036 4.117813 ESP Fit Center 7917 is at 1.580536 -2.633953 4.117813 ESP Fit Center 7918 is at 1.892561 -2.898990 4.117813 ESP Fit Center 7919 is at 4.804037 -1.738952 4.117813 ESP Fit Center 7920 is at 5.147544 -1.331957 3.838339 ESP Fit Center 7921 is at 5.107923 -0.917022 3.838339 ESP Fit Center 7922 is at 4.990491 -0.517084 3.838339 ESP Fit Center 7923 is at 4.799492 -0.146597 3.838339 ESP Fit Center 7924 is at 1.006258 -2.336622 3.838339 ESP Fit Center 7925 is at 1.231609 -2.687275 3.838339 ESP Fit Center 7926 is at 1.519249 -2.988944 3.838339 ESP Fit Center 7927 is at 5.107923 -1.746891 3.838339 ESP Fit Center 7928 is at 5.405946 -1.331957 3.520720 ESP Fit Center 7929 is at 5.370692 -0.917751 3.520720 ESP Fit Center 7930 is at 1.185587 -3.027836 3.520720 ESP Fit Center 7931 is at 1.497644 -3.302481 3.520720 ESP Fit Center 7932 is at 5.370692 -1.746162 3.520720 ESP Fit Center 7933 is at 1.389379 -3.486899 3.170874 ESP Fit Center 7934 is at 5.585898 -1.748644 3.170874 ESP Fit Center 7935 is at 3.778151 -3.865244 0.410484 ESP Fit Center 7936 is at 5.684211 -1.535402 3.135521 ESP Fit Center 7937 is at 5.814932 -1.147437 3.135521 ESP Fit Center 7938 is at 5.810387 -1.925801 2.856047 ESP Fit Center 7939 is at 6.001386 -1.555314 2.856047 ESP Fit Center 7940 is at 6.118818 -1.155376 2.856047 ESP Fit Center 7941 is at 3.654622 1.690617 2.538429 ESP Fit Center 7942 is at 5.872827 -2.280152 2.538429 ESP Fit Center 7943 is at 6.105610 -1.935738 2.538429 ESP Fit Center 7944 is at 6.276839 -1.556937 2.538429 ESP Fit Center 7945 is at 3.549244 1.890420 2.188583 ESP Fit Center 7946 is at 5.849421 -2.623930 2.188583 ESP Fit Center 7947 is at 6.120874 -2.306099 2.188583 ESP Fit Center 7948 is at 6.339266 -1.949716 2.188583 ESP Fit Center 7949 is at 6.499219 -1.563556 2.188583 ESP Fit Center 7950 is at 5.774148 -2.913240 1.813026 ESP Fit Center 7951 is at 6.071241 -2.626807 1.813026 ESP Fit Center 7952 is at 6.323462 -2.300169 1.813026 ESP Fit Center 7953 is at 6.525437 -1.940288 1.813026 ESP Fit Center 7954 is at 6.672860 -1.554835 1.813026 ESP Fit Center 7955 is at 6.762590 -1.152024 1.813026 ESP Fit Center 7956 is at 6.649245 -1.935129 1.418756 ESP Fit Center 7957 is at 6.789400 -1.550058 1.418756 ESP Fit Center 7958 is at 6.874599 -1.149228 1.418756 ESP Fit Center 7959 is at 6.842994 -1.565426 1.013115 ESP Fit Center 7960 is at 6.929810 -1.156987 1.013115 ESP Fit Center 7961 is at 6.958938 -0.740441 0.603660 ESP Fit Center 7962 is at 6.929810 -1.156987 0.603660 ESP Fit Center 7963 is at 6.903184 -0.740441 0.198020 ESP Fit Center 7964 is at 6.874599 -0.331655 0.198020 ESP Fit Center 7965 is at 6.792714 -0.740441 -0.196251 ESP Fit Center 7966 is at 6.762590 -0.328858 -0.196251 ESP Fit Center 7967 is at 6.672860 0.073952 -0.196251 ESP Fit Center 7968 is at 6.629587 -0.740441 -0.571808 ESP Fit Center 7969 is at 6.596793 -0.323754 -0.571808 ESP Fit Center 7970 is at 6.499219 0.082674 -0.571808 ESP Fit Center 7971 is at 3.631864 2.105657 1.828496 ESP Fit Center 7972 is at 4.028798 2.249125 1.510878 ESP Fit Center 7973 is at 3.114960 -2.688703 -1.599358 ESP Fit Center 7974 is at 3.531648 -2.655909 -1.599358 ESP Fit Center 7975 is at 2.803651 -2.456106 -1.949204 ESP Fit Center 7976 is at 3.218980 -2.473749 -1.949204 ESP Fit Center 7977 is at 3.631316 -2.420947 -1.949204 ESP Fit Center 7978 is at 4.028798 -2.299220 -1.949204 ESP Fit Center 7979 is at 3.219284 -2.215072 -2.266823 ESP Fit Center 7980 is at 3.631864 -2.155752 -2.266823 ESP Fit Center 7981 is at 4.025761 -2.019423 -2.266823 ESP Fit Center 7982 is at 3.217460 -1.915535 -2.546297 ESP Fit Center 7983 is at 0.797890 -1.513120 3.879283 ESP Fit Center 7984 is at 0.589512 -1.152199 3.842821 ESP Fit Center 7985 is at 0.381134 -1.513120 3.842821 ESP Fit Center 7986 is at 0.589512 -1.874041 3.842821 ESP Fit Center 7987 is at 0.387465 -0.802245 3.734545 ESP Fit Center 7988 is at 0.087014 -1.102696 3.734545 ESP Fit Center 7989 is at -0.022959 -1.513120 3.734545 ESP Fit Center 7990 is at 0.087014 -1.923544 3.734545 ESP Fit Center 7991 is at 0.387465 -2.223996 3.734545 ESP Fit Center 7992 is at 0.797890 -2.333969 3.734545 ESP Fit Center 7993 is at 0.197890 -0.473890 3.557744 ESP Fit Center 7994 is at -0.121364 -0.741775 3.557744 ESP Fit Center 7995 is at -0.329742 -1.102696 3.557744 ESP Fit Center 7996 is at -0.402110 -1.513120 3.557744 ESP Fit Center 7997 is at -0.329742 -1.923544 3.557744 ESP Fit Center 7998 is at -0.121364 -2.284465 3.557744 ESP Fit Center 7999 is at 0.197890 -2.552351 3.557744 ESP Fit Center 8000 is at 0.589512 -2.694890 3.557744 ESP Fit Center 8001 is at 0.281274 -0.059504 3.317789 ESP Fit Center 8002 is at -0.091750 -0.252789 3.317789 ESP Fit Center 8003 is at -0.398793 -0.539547 3.317789 ESP Fit Center 8004 is at -0.617083 -0.898511 3.317789 ESP Fit Center 8005 is at -0.730432 -1.303057 3.317789 ESP Fit Center 8006 is at -0.730432 -1.723183 3.317789 ESP Fit Center 8007 is at -0.617083 -2.127730 3.317789 ESP Fit Center 8008 is at -0.398793 -2.486694 3.317789 ESP Fit Center 8009 is at -0.091750 -2.773452 3.317789 ESP Fit Center 8010 is at 0.281274 -2.966737 3.317789 ESP Fit Center 8011 is at 0.692613 -3.052214 3.317789 ESP Fit Center 8012 is at 0.270600 0.248150 3.021973 ESP Fit Center 8013 is at -0.121364 0.079073 3.021973 ESP Fit Center 8014 is at -0.463770 -0.175839 3.021973 ESP Fit Center 8015 is at -0.738160 -0.502844 3.021973 ESP Fit Center 8016 is at -0.929742 -0.884314 3.021973 ESP Fit Center 8017 is at -1.028186 -1.299683 3.021973 ESP Fit Center 8018 is at -1.028186 -1.726558 3.021973 ESP Fit Center 8019 is at -0.929742 -2.141927 3.021973 ESP Fit Center 8020 is at -0.738160 -2.523396 3.021973 ESP Fit Center 8021 is at -0.463770 -2.850402 3.021973 ESP Fit Center 8022 is at -0.121364 -3.105314 3.021973 ESP Fit Center 8023 is at 0.270600 -3.274390 3.021973 ESP Fit Center 8024 is at 0.276918 0.498990 2.679283 ESP Fit Center 8025 is at -1.185252 -2.135335 2.679283 ESP Fit Center 8026 is at -1.019406 -2.521801 2.679283 ESP Fit Center 8027 is at -0.779160 -2.866973 2.679283 ESP Fit Center 8028 is at -0.474349 -3.156717 2.679283 ESP Fit Center 8029 is at -0.117453 -3.379172 2.679283 ESP Fit Center 8030 is at 0.276918 -3.525231 2.679283 ESP Fit Center 8031 is at -0.329742 -3.466235 2.300131 ESP Fit Center 8032 is at 0.060266 -3.644345 2.300131 ESP Fit Center 8033 is at 0.848500 -4.344914 1.579455 ESP Fit Center 8034 is at 1.242871 -4.490973 1.579455 ESP Fit Center 8035 is at 1.658570 -4.554655 1.579455 ESP Fit Center 8036 is at 2.078579 -4.533355 1.579455 ESP Fit Center 8037 is at 2.485703 -4.427943 1.579455 ESP Fit Center 8038 is at 1.026218 -4.610087 1.200303 ESP Fit Center 8039 is at 1.442885 -4.711169 1.200303 ESP Fit Center 8040 is at 1.871152 -4.731570 1.200303 ESP Fit Center 8041 is at 2.295541 -4.670552 1.200303 ESP Fit Center 8042 is at 2.700712 -4.530321 1.200303 ESP Fit Center 8043 is at 1.237906 -4.783142 0.796211 ESP Fit Center 8044 is at 1.657803 -4.840021 0.796211 ESP Fit Center 8045 is at 2.081108 -4.821010 0.796211 ESP Fit Center 8046 is at 2.494216 -4.726721 0.796211 ESP Fit Center 8047 is at 2.883849 -4.560184 0.796211 ESP Fit Center 8048 is at 3.237485 -4.326751 0.796211 ESP Fit Center 8049 is at 1.347087 -4.842401 0.379455 ESP Fit Center 8050 is at 1.763842 -4.878862 0.379455 ESP Fit Center 8051 is at 2.180598 -4.842401 0.379455 ESP Fit Center 8052 is at 2.584691 -4.734124 0.379455 ESP Fit Center 8053 is at 2.963842 -4.557323 0.379455 ESP Fit Center 8054 is at 3.306533 -4.317369 0.379455 ESP Fit Center 8055 is at 3.602349 -4.021552 0.379455 ESP Fit Center 8056 is at 1.657803 -4.840021 -0.037301 ESP Fit Center 8057 is at 2.081108 -4.821010 -0.037301 ESP Fit Center 8058 is at 2.494216 -4.726721 -0.037301 ESP Fit Center 8059 is at 2.883849 -4.560184 -0.037301 ESP Fit Center 8060 is at 3.237485 -4.326751 -0.037301 ESP Fit Center 8061 is at 3.543756 -4.033926 -0.037301 ESP Fit Center 8062 is at 1.871152 -4.731570 -0.441393 ESP Fit Center 8063 is at 2.295541 -4.670552 -0.441393 ESP Fit Center 8064 is at 2.700712 -4.530321 -0.441393 ESP Fit Center 8065 is at 3.072023 -4.315945 -0.441393 ESP Fit Center 8066 is at 3.396052 -4.035171 -0.441393 ESP Fit Center 8067 is at 3.661090 -3.698149 -0.441393 ESP Fit Center 8068 is at 2.078579 -4.533355 -0.820545 ESP Fit Center 8069 is at 2.485703 -4.427943 -0.820545 ESP Fit Center 8070 is at 2.863273 -4.242736 -0.820545 ESP Fit Center 8071 is at 3.195833 -3.985316 -0.820545 ESP Fit Center 8072 is at 3.469767 -3.666221 -0.820545 ESP Fit Center 8073 is at 2.083096 -4.289438 -1.163235 ESP Fit Center 8074 is at 2.492038 -4.167009 -1.163235 ESP Fit Center 8075 is at 2.861722 -3.953571 -1.163235 ESP Fit Center 8076 is at 3.172220 -3.660631 -1.163235 ESP Fit Center 8077 is at 3.406792 -3.303982 -1.163235 ESP Fit Center 8078 is at 2.077712 -3.989286 -1.459052 ESP Fit Center 8079 is at 2.473580 -3.848594 -1.459052 ESP Fit Center 8080 is at 2.816810 -3.606316 -1.459052 ESP Fit Center 8081 is at 3.081947 -3.280419 -1.459052 ESP Fit Center 8082 is at 3.249326 -2.895075 -1.459052 ESP Fit Center 8083 is at 2.363842 -3.518093 -1.699006 ESP Fit Center 8084 is at 2.683096 -3.250207 -1.699006 ESP Fit Center 8085 is at 2.891474 -2.889286 -1.699006 ESP Fit Center 8086 is at 2.474718 -2.889286 -1.875807 ESP Fit Center 8087 is at 2.731947 -0.622203 4.979886 ESP Fit Center 8088 is at 3.148702 -0.622203 4.943425 ESP Fit Center 8089 is at 2.940325 -0.261282 4.943425 ESP Fit Center 8090 is at 2.523569 -0.261282 4.943425 ESP Fit Center 8091 is at 2.315191 -0.622203 4.943425 ESP Fit Center 8092 is at 2.523569 -0.983124 4.943425 ESP Fit Center 8093 is at 2.940325 -0.983124 4.943425 ESP Fit Center 8094 is at 3.552795 -0.622203 4.835149 ESP Fit Center 8095 is at 3.442822 -0.211779 4.835149 ESP Fit Center 8096 is at 3.142371 0.088672 4.835149 ESP Fit Center 8097 is at 2.731947 0.198645 4.835149 ESP Fit Center 8098 is at 2.321523 0.088672 4.835149 ESP Fit Center 8099 is at 2.021071 -0.211779 4.835149 ESP Fit Center 8100 is at 1.911098 -0.622203 4.835149 ESP Fit Center 8101 is at 2.021071 -1.032627 4.835149 ESP Fit Center 8102 is at 2.321523 -1.333079 4.835149 ESP Fit Center 8103 is at 2.731947 -1.443051 4.835149 ESP Fit Center 8104 is at 3.142371 -1.333079 4.835149 ESP Fit Center 8105 is at 3.442822 -1.032627 4.835149 ESP Fit Center 8106 is at 3.931947 -0.622203 4.658347 ESP Fit Center 8107 is at 3.859578 -0.211779 4.658347 ESP Fit Center 8108 is at 3.651200 0.149142 4.658347 ESP Fit Center 8109 is at 3.331947 0.417027 4.658347 ESP Fit Center 8110 is at 2.940325 0.559566 4.658347 ESP Fit Center 8111 is at 2.523569 0.559566 4.658347 ESP Fit Center 8112 is at 2.131947 0.417027 4.658347 ESP Fit Center 8113 is at 1.812693 0.149142 4.658347 ESP Fit Center 8114 is at 1.604316 -0.211779 4.658347 ESP Fit Center 8115 is at 1.531947 -0.622203 4.658347 ESP Fit Center 8116 is at 1.604316 -1.032627 4.658347 ESP Fit Center 8117 is at 1.812693 -1.393548 4.658347 ESP Fit Center 8118 is at 2.131947 -1.661434 4.658347 ESP Fit Center 8119 is at 3.859578 -1.032627 4.658347 ESP Fit Center 8120 is at 4.274637 -0.622203 4.418393 ESP Fit Center 8121 is at 4.217430 -0.205990 4.418393 ESP Fit Center 8122 is at 4.050051 0.179354 4.418393 ESP Fit Center 8123 is at 3.784915 0.505250 4.418393 ESP Fit Center 8124 is at 3.441685 0.747529 4.418393 ESP Fit Center 8125 is at 3.045816 0.888220 4.418393 ESP Fit Center 8126 is at 2.626670 0.916891 4.418393 ESP Fit Center 8127 is at 2.215331 0.831414 4.418393 ESP Fit Center 8128 is at 1.842308 0.638128 4.418393 ESP Fit Center 8129 is at 1.535265 0.351370 4.418393 ESP Fit Center 8130 is at 1.316974 -0.007594 4.418393 ESP Fit Center 8131 is at 1.203625 -0.412140 4.418393 ESP Fit Center 8132 is at 1.203625 -0.832266 4.418393 ESP Fit Center 8133 is at 1.316974 -1.236813 4.418393 ESP Fit Center 8134 is at 4.520896 -0.198214 4.122577 ESP Fit Center 8135 is at 4.374896 0.202917 4.122577 ESP Fit Center 8136 is at 4.140325 0.559566 4.122577 ESP Fit Center 8137 is at 3.829827 0.852506 4.122577 ESP Fit Center 8138 is at 3.460142 1.065943 4.122577 ESP Fit Center 8139 is at 3.051200 1.188373 4.122577 ESP Fit Center 8140 is at 2.625047 1.213193 4.122577 ESP Fit Center 8141 is at 2.204657 1.139067 4.122577 ESP Fit Center 8142 is at 1.812693 0.969990 4.122577 ESP Fit Center 8143 is at 1.470287 0.715078 4.122577 ESP Fit Center 8144 is at 1.195897 0.388073 4.122577 ESP Fit Center 8145 is at 1.004316 0.006603 4.122577 ESP Fit Center 8146 is at 0.905871 -0.408765 4.122577 ESP Fit Center 8147 is at 0.905871 -0.835641 4.122577 ESP Fit Center 8148 is at 1.004316 -1.251009 4.122577 ESP Fit Center 8149 is at 4.641965 0.197450 3.779886 ESP Fit Center 8150 is at 4.437872 0.565156 3.779886 ESP Fit Center 8151 is at 4.163938 0.884250 3.779886 ESP Fit Center 8152 is at 3.831378 1.141671 3.779886 ESP Fit Center 8153 is at 3.453807 1.326878 3.779886 ESP Fit Center 8154 is at 3.046684 1.432290 3.779886 ESP Fit Center 8155 is at 2.626674 1.453590 3.779886 ESP Fit Center 8156 is at 2.210975 1.389907 3.779886 ESP Fit Center 8157 is at 1.816605 1.243849 3.779886 ESP Fit Center 8158 is at 1.459708 1.021393 3.779886 ESP Fit Center 8159 is at 1.154898 0.731649 3.779886 ESP Fit Center 8160 is at 0.914651 0.386478 3.779886 ESP Fit Center 8161 is at 0.748806 0.000012 3.779886 ESP Fit Center 8162 is at 0.664150 -0.411929 3.779886 ESP Fit Center 8163 is at 0.664150 -0.832477 3.779886 ESP Fit Center 8164 is at 4.040127 1.214879 3.400735 ESP Fit Center 8165 is at 3.668817 1.429256 3.400735 ESP Fit Center 8166 is at 3.263645 1.569487 3.400735 ESP Fit Center 8167 is at 2.839256 1.630505 3.400735 ESP Fit Center 8168 is at 2.410989 1.610104 3.400735 ESP Fit Center 8169 is at 1.994323 1.509022 3.400735 ESP Fit Center 8170 is at 1.604316 1.330911 3.400735 ESP Fit Center 8171 is at 1.255064 1.082210 3.400735 ESP Fit Center 8172 is at 0.959191 0.771908 3.400735 ESP Fit Center 8173 is at 0.727390 0.411218 3.400735 ESP Fit Center 8174 is at 0.568038 0.013178 3.400735 ESP Fit Center 8175 is at 3.851954 1.459118 2.996642 ESP Fit Center 8176 is at 3.462320 1.625656 2.996642 ESP Fit Center 8177 is at 3.049212 1.719945 2.996642 ESP Fit Center 8178 is at 2.625907 1.738956 2.996642 ESP Fit Center 8179 is at 0.819804 0.767050 2.996642 ESP Fit Center 8180 is at 0.602472 0.403298 2.996642 ESP Fit Center 8181 is at 3.148702 1.741336 2.579886 ESP Fit Center 8182 is at 3.287871 -2.253805 4.650543 ESP Fit Center 8183 is at 3.704626 -2.253805 4.614081 ESP Fit Center 8184 is at 3.079493 -2.614726 4.614081 ESP Fit Center 8185 is at 3.496248 -2.614726 4.614081 ESP Fit Center 8186 is at 4.108719 -2.253805 4.505805 ESP Fit Center 8187 is at 2.576995 -2.664229 4.505805 ESP Fit Center 8188 is at 2.877446 -2.964681 4.505805 ESP Fit Center 8189 is at 3.287871 -3.074653 4.505805 ESP Fit Center 8190 is at 3.698295 -2.964681 4.505805 ESP Fit Center 8191 is at 3.998746 -2.664229 4.505805 ESP Fit Center 8192 is at 4.487871 -2.253805 4.329004 ESP Fit Center 8193 is at 2.368617 -3.025150 4.329004 ESP Fit Center 8194 is at 2.687871 -3.293036 4.329004 ESP Fit Center 8195 is at 3.079493 -3.435574 4.329004 ESP Fit Center 8196 is at 3.496248 -3.435574 4.329004 ESP Fit Center 8197 is at 3.887871 -3.293036 4.329004 ESP Fit Center 8198 is at 4.207124 -3.025150 4.329004 ESP Fit Center 8199 is at 4.415502 -2.664229 4.329004 ESP Fit Center 8200 is at 4.830561 -2.253805 4.089050 ESP Fit Center 8201 is at 2.091188 -3.227378 4.089050 ESP Fit Center 8202 is at 2.398231 -3.514137 4.089050 ESP Fit Center 8203 is at 2.771255 -3.707422 4.089050 ESP Fit Center 8204 is at 3.182594 -3.792899 4.089050 ESP Fit Center 8205 is at 3.601740 -3.764229 4.089050 ESP Fit Center 8206 is at 3.997608 -3.623537 4.089050 ESP Fit Center 8207 is at 4.340839 -3.381259 4.089050 ESP Fit Center 8208 is at 4.605975 -3.055362 4.089050 ESP Fit Center 8209 is at 4.773354 -2.670018 4.089050 ESP Fit Center 8210 is at 5.126377 -2.253805 3.793233 ESP Fit Center 8211 is at 1.751821 -3.264081 3.793233 ESP Fit Center 8212 is at 2.026211 -3.591086 3.793233 ESP Fit Center 8213 is at 2.368617 -3.845999 3.793233 ESP Fit Center 8214 is at 2.760581 -4.015075 3.793233 ESP Fit Center 8215 is at 3.180971 -4.089201 3.793233 ESP Fit Center 8216 is at 3.607124 -4.064381 3.793233 ESP Fit Center 8217 is at 4.016066 -3.941951 3.793233 ESP Fit Center 8218 is at 4.385751 -3.728514 3.793233 ESP Fit Center 8219 is at 4.696248 -3.435574 3.793233 ESP Fit Center 8220 is at 4.930820 -3.078925 3.793233 ESP Fit Center 8221 is at 5.076820 -2.677794 3.793233 ESP Fit Center 8222 is at 5.366331 -2.253805 3.450543 ESP Fit Center 8223 is at 1.710821 -3.607657 3.450543 ESP Fit Center 8224 is at 2.015632 -3.897402 3.450543 ESP Fit Center 8225 is at 2.372528 -4.119857 3.450543 ESP Fit Center 8226 is at 2.766899 -4.265916 3.450543 ESP Fit Center 8227 is at 3.182598 -4.329598 3.450543 ESP Fit Center 8228 is at 3.602607 -4.308298 3.450543 ESP Fit Center 8229 is at 4.009731 -4.202886 3.450543 ESP Fit Center 8230 is at 4.387302 -4.017679 3.450543 ESP Fit Center 8231 is at 4.719861 -3.760259 3.450543 ESP Fit Center 8232 is at 4.993795 -3.441164 3.450543 ESP Fit Center 8233 is at 5.197888 -3.073458 3.450543 ESP Fit Center 8234 is at 5.323785 -2.672196 3.450543 ESP Fit Center 8235 is at 5.543133 -2.253805 3.071391 ESP Fit Center 8236 is at 1.515115 -3.647916 3.071391 ESP Fit Center 8237 is at 1.810988 -3.958219 3.071391 ESP Fit Center 8238 is at 2.160239 -4.206919 3.071391 ESP Fit Center 8239 is at 2.550246 -4.385030 3.071391 ESP Fit Center 8240 is at 2.966913 -4.486112 3.071391 ESP Fit Center 8241 is at 3.395180 -4.506513 3.071391 ESP Fit Center 8242 is at 3.819569 -4.445495 3.071391 ESP Fit Center 8243 is at 4.224740 -4.305264 3.071391 ESP Fit Center 8244 is at 4.596051 -4.090887 3.071391 ESP Fit Center 8245 is at 4.920081 -3.810114 3.071391 ESP Fit Center 8246 is at 5.185118 -3.473092 3.071391 ESP Fit Center 8247 is at 5.381584 -3.092001 3.071391 ESP Fit Center 8248 is at 5.502377 -2.680616 3.071391 ESP Fit Center 8249 is at 1.985804 -4.226351 2.667298 ESP Fit Center 8250 is at 2.358941 -4.427144 2.667298 ESP Fit Center 8251 is at 2.761934 -4.558085 2.667298 ESP Fit Center 8252 is at 3.181831 -4.614964 2.667298 ESP Fit Center 8253 is at 3.605136 -4.595953 2.667298 ESP Fit Center 8254 is at 4.018244 -4.501664 2.667298 ESP Fit Center 8255 is at 4.407877 -4.335127 2.667298 ESP Fit Center 8256 is at 4.761513 -4.101694 2.667298 ESP Fit Center 8257 is at 5.067784 -3.808869 2.667298 ESP Fit Center 8258 is at 5.316847 -3.466062 2.667298 ESP Fit Center 8259 is at 5.500698 -3.084293 2.667298 ESP Fit Center 8260 is at 5.613426 -2.675831 2.667298 ESP Fit Center 8261 is at 2.087871 -4.332266 2.250543 ESP Fit Center 8262 is at 2.467022 -4.509067 2.250543 ESP Fit Center 8263 is at 2.871115 -4.617344 2.250543 ESP Fit Center 8264 is at 3.287871 -4.653805 2.250543 ESP Fit Center 8265 is at 3.704626 -4.617344 2.250543 ESP Fit Center 8266 is at 4.108719 -4.509067 2.250543 ESP Fit Center 8267 is at 4.487871 -4.332266 2.250543 ESP Fit Center 8268 is at 4.830561 -4.092312 2.250543 ESP Fit Center 8269 is at 5.126377 -3.796495 2.250543 ESP Fit Center 8270 is at 5.366331 -3.453805 2.250543 ESP Fit Center 8271 is at 5.543133 -3.074653 2.250543 ESP Fit Center 8272 is at 2.358941 -4.427144 1.833787 ESP Fit Center 8273 is at 2.761934 -4.558085 1.833787 ESP Fit Center 8274 is at 3.181831 -4.614964 1.833787 ESP Fit Center 8275 is at 3.605136 -4.595953 1.833787 ESP Fit Center 8276 is at 4.018244 -4.501664 1.833787 ESP Fit Center 8277 is at 4.407877 -4.335127 1.833787 ESP Fit Center 8278 is at 4.761513 -4.101694 1.833787 ESP Fit Center 8279 is at 5.067784 -3.808869 1.833787 ESP Fit Center 8280 is at 5.316847 -3.466062 1.833787 ESP Fit Center 8281 is at 2.966913 -4.486112 1.429695 ESP Fit Center 8282 is at 3.395180 -4.506513 1.429695 ESP Fit Center 8283 is at 3.819569 -4.445495 1.429695 ESP Fit Center 8284 is at 4.224740 -4.305264 1.429695 ESP Fit Center 8285 is at 4.596051 -4.090887 1.429695 ESP Fit Center 8286 is at 4.920081 -3.810114 1.429695 ESP Fit Center 8287 is at 3.182598 -4.329598 1.050543 ESP Fit Center 8288 is at 3.602607 -4.308298 1.050543 ESP Fit Center 8289 is at 4.009731 -4.202886 1.050543 ESP Fit Center 8290 is at 4.387302 -4.017679 1.050543 ESP Fit Center 8291 is at 3.607124 -4.064381 0.707853 ESP Fit Center 8292 is at 4.016066 -3.941951 0.707853 ESP Fit Center 8293 is at 5.100245 -0.063463 3.613586 ESP Fit Center 8294 is at 4.891867 0.297458 3.613586 ESP Fit Center 8295 is at 5.504338 -0.063463 3.505309 ESP Fit Center 8296 is at 5.394365 0.346961 3.505309 ESP Fit Center 8297 is at 5.093913 0.647412 3.505309 ESP Fit Center 8298 is at 4.683489 0.757385 3.505309 ESP Fit Center 8299 is at 5.394365 -0.473887 3.505309 ESP Fit Center 8300 is at 5.883489 -0.063463 3.328508 ESP Fit Center 8301 is at 5.811120 0.346961 3.328508 ESP Fit Center 8302 is at 5.602743 0.707882 3.328508 ESP Fit Center 8303 is at 5.283489 0.975767 3.328508 ESP Fit Center 8304 is at 4.891867 1.118306 3.328508 ESP Fit Center 8305 is at 4.475111 1.118306 3.328508 ESP Fit Center 8306 is at 5.602743 -0.834808 3.328508 ESP Fit Center 8307 is at 5.811120 -0.473887 3.328508 ESP Fit Center 8308 is at 6.226179 -0.063463 3.088554 ESP Fit Center 8309 is at 6.168972 0.352750 3.088554 ESP Fit Center 8310 is at 6.001594 0.738094 3.088554 ESP Fit Center 8311 is at 5.736457 1.063990 3.088554 ESP Fit Center 8312 is at 5.393227 1.306269 3.088554 ESP Fit Center 8313 is at 4.997359 1.446960 3.088554 ESP Fit Center 8314 is at 4.578212 1.475631 3.088554 ESP Fit Center 8315 is at 4.166874 1.390154 3.088554 ESP Fit Center 8316 is at 6.001594 -0.865020 3.088554 ESP Fit Center 8317 is at 6.168972 -0.479676 3.088554 ESP Fit Center 8318 is at 6.521996 -0.063463 2.792737 ESP Fit Center 8319 is at 6.472439 0.360526 2.792737 ESP Fit Center 8320 is at 6.326439 0.761657 2.792737 ESP Fit Center 8321 is at 6.091867 1.118306 2.792737 ESP Fit Center 8322 is at 5.781369 1.411246 2.792737 ESP Fit Center 8323 is at 5.411684 1.624683 2.792737 ESP Fit Center 8324 is at 5.002743 1.747112 2.792737 ESP Fit Center 8325 is at 4.576590 1.771933 2.792737 ESP Fit Center 8326 is at 4.156200 1.697807 2.792737 ESP Fit Center 8327 is at 6.326439 -0.888583 2.792737 ESP Fit Center 8328 is at 6.472439 -0.487452 2.792737 ESP Fit Center 8329 is at 6.761950 -0.063463 2.450047 ESP Fit Center 8330 is at 6.719404 0.354928 2.450047 ESP Fit Center 8331 is at 6.593507 0.756190 2.450047 ESP Fit Center 8332 is at 6.389414 1.123896 2.450047 ESP Fit Center 8333 is at 6.115480 1.442990 2.450047 ESP Fit Center 8334 is at 5.782920 1.700411 2.450047 ESP Fit Center 8335 is at 5.405350 1.885618 2.450047 ESP Fit Center 8336 is at 4.998226 1.991030 2.450047 ESP Fit Center 8337 is at 4.578217 2.012330 2.450047 ESP Fit Center 8338 is at 4.162518 1.948647 2.450047 ESP Fit Center 8339 is at 3.768147 1.802589 2.450047 ESP Fit Center 8340 is at 6.593507 -0.883116 2.450047 ESP Fit Center 8341 is at 6.719404 -0.481854 2.450047 ESP Fit Center 8342 is at 6.938751 -0.063463 2.070895 ESP Fit Center 8343 is at 6.897996 0.363348 2.070895 ESP Fit Center 8344 is at 6.777202 0.774733 2.070895 ESP Fit Center 8345 is at 6.580737 1.155824 2.070895 ESP Fit Center 8346 is at 6.315699 1.492846 2.070895 ESP Fit Center 8347 is at 5.991670 1.773619 2.070895 ESP Fit Center 8348 is at 5.620359 1.987996 2.070895 ESP Fit Center 8349 is at 5.215187 2.128227 2.070895 ESP Fit Center 8350 is at 4.790799 2.189245 2.070895 ESP Fit Center 8351 is at 4.362532 2.168844 2.070895 ESP Fit Center 8352 is at 3.945865 2.067762 2.070895 ESP Fit Center 8353 is at 6.777202 -0.901659 2.070895 ESP Fit Center 8354 is at 6.897996 -0.490274 2.070895 ESP Fit Center 8355 is at 7.047028 -0.063463 1.666803 ESP Fit Center 8356 is at 7.009045 0.358563 1.666803 ESP Fit Center 8357 is at 6.896316 0.767025 1.666803 ESP Fit Center 8358 is at 6.712466 1.148794 1.666803 ESP Fit Center 8359 is at 6.463403 1.491600 1.666803 ESP Fit Center 8360 is at 6.157131 1.784426 1.666803 ESP Fit Center 8361 is at 5.803496 2.017858 1.666803 ESP Fit Center 8362 is at 5.413863 2.184396 1.666803 ESP Fit Center 8363 is at 5.000755 2.278685 1.666803 ESP Fit Center 8364 is at 4.577449 2.297696 1.666803 ESP Fit Center 8365 is at 4.157552 2.240817 1.666803 ESP Fit Center 8366 is at 6.896316 -0.893951 1.666803 ESP Fit Center 8367 is at 7.009045 -0.485489 1.666803 ESP Fit Center 8368 is at 7.083489 -0.063463 1.250047 ESP Fit Center 8369 is at 7.047028 0.353292 1.250047 ESP Fit Center 8370 is at 6.938751 0.757385 1.250047 ESP Fit Center 8371 is at 6.761950 1.136537 1.250047 ESP Fit Center 8372 is at 6.521996 1.479227 1.250047 ESP Fit Center 8373 is at 6.226179 1.775044 1.250047 ESP Fit Center 8374 is at 5.883489 2.014998 1.250047 ESP Fit Center 8375 is at 5.504338 2.191799 1.250047 ESP Fit Center 8376 is at 5.100245 2.300075 1.250047 ESP Fit Center 8377 is at 4.683489 2.336537 1.250047 ESP Fit Center 8378 is at 6.938751 -0.884311 1.250047 ESP Fit Center 8379 is at 7.047028 -0.480219 1.250047 ESP Fit Center 8380 is at 7.047028 -0.063463 0.833292 ESP Fit Center 8381 is at 7.009045 0.358563 0.833292 ESP Fit Center 8382 is at 6.896316 0.767025 0.833292 ESP Fit Center 8383 is at 6.712466 1.148794 0.833292 ESP Fit Center 8384 is at 6.463403 1.491600 0.833292 ESP Fit Center 8385 is at 6.157131 1.784426 0.833292 ESP Fit Center 8386 is at 5.803496 2.017858 0.833292 ESP Fit Center 8387 is at 7.009045 -0.485489 0.833292 ESP Fit Center 8388 is at 6.938751 -0.063463 0.429199 ESP Fit Center 8389 is at 6.897996 0.363348 0.429199 ESP Fit Center 8390 is at 6.777202 0.774733 0.429199 ESP Fit Center 8391 is at 6.580737 1.155824 0.429199 ESP Fit Center 8392 is at 6.315699 1.492846 0.429199 ESP Fit Center 8393 is at 6.719404 0.354928 0.050047 ESP Fit Center 8394 is at 6.593507 0.756190 0.050047 ESP Fit Center 8395 is at 6.389414 1.123896 0.050047 ESP Fit Center 8396 is at 5.242951 -3.469642 1.496468 ESP Fit Center 8397 is at 5.620522 -3.284435 1.496468 ESP Fit Center 8398 is at 5.953081 -3.027015 1.496468 ESP Fit Center 8399 is at 6.227015 -2.707920 1.496468 ESP Fit Center 8400 is at 6.431108 -2.340214 1.496468 ESP Fit Center 8401 is at 5.052789 -3.712251 1.117317 ESP Fit Center 8402 is at 5.457960 -3.572020 1.117317 ESP Fit Center 8403 is at 5.829271 -3.357644 1.117317 ESP Fit Center 8404 is at 6.153301 -3.076870 1.117317 ESP Fit Center 8405 is at 6.418338 -2.739848 1.117317 ESP Fit Center 8406 is at 6.614804 -2.358757 1.117317 ESP Fit Center 8407 is at 6.735597 -1.947372 1.117317 ESP Fit Center 8408 is at 6.884629 -1.520561 0.713224 ESP Fit Center 8409 is at 4.415051 -3.881720 0.713224 ESP Fit Center 8410 is at 4.838356 -3.862709 0.713224 ESP Fit Center 8411 is at 5.251464 -3.768420 0.713224 ESP Fit Center 8412 is at 5.641097 -3.601883 0.713224 ESP Fit Center 8413 is at 5.994733 -3.368450 0.713224 ESP Fit Center 8414 is at 6.301004 -3.075625 0.713224 ESP Fit Center 8415 is at 6.550067 -2.732818 0.713224 ESP Fit Center 8416 is at 6.733918 -2.351049 0.713224 ESP Fit Center 8417 is at 6.846646 -1.942587 0.713224 ESP Fit Center 8418 is at 6.921091 -1.520561 0.296468 ESP Fit Center 8419 is at 4.104335 -3.884100 0.296468 ESP Fit Center 8420 is at 4.521091 -3.920561 0.296468 ESP Fit Center 8421 is at 4.937846 -3.884100 0.296468 ESP Fit Center 8422 is at 5.341939 -3.775823 0.296468 ESP Fit Center 8423 is at 5.721091 -3.599022 0.296468 ESP Fit Center 8424 is at 6.063781 -3.359068 0.296468 ESP Fit Center 8425 is at 6.359597 -3.063251 0.296468 ESP Fit Center 8426 is at 6.599551 -2.720561 0.296468 ESP Fit Center 8427 is at 6.776353 -2.341409 0.296468 ESP Fit Center 8428 is at 6.884629 -1.937317 0.296468 ESP Fit Center 8429 is at 6.884629 -1.520561 -0.120287 ESP Fit Center 8430 is at 6.846646 -1.098535 -0.120287 ESP Fit Center 8431 is at 3.995154 -3.824841 -0.120287 ESP Fit Center 8432 is at 4.415051 -3.881720 -0.120287 ESP Fit Center 8433 is at 4.838356 -3.862709 -0.120287 ESP Fit Center 8434 is at 5.251464 -3.768420 -0.120287 ESP Fit Center 8435 is at 5.641097 -3.601883 -0.120287 ESP Fit Center 8436 is at 5.994733 -3.368450 -0.120287 ESP Fit Center 8437 is at 6.301004 -3.075625 -0.120287 ESP Fit Center 8438 is at 6.550067 -2.732818 -0.120287 ESP Fit Center 8439 is at 6.733918 -2.351049 -0.120287 ESP Fit Center 8440 is at 6.846646 -1.942587 -0.120287 ESP Fit Center 8441 is at 6.776353 -1.520561 -0.524380 ESP Fit Center 8442 is at 6.735597 -1.093750 -0.524380 ESP Fit Center 8443 is at 3.783466 -3.651786 -0.524380 ESP Fit Center 8444 is at 4.200133 -3.752868 -0.524380 ESP Fit Center 8445 is at 4.628400 -3.773269 -0.524380 ESP Fit Center 8446 is at 5.052789 -3.712251 -0.524380 ESP Fit Center 8447 is at 5.457960 -3.572020 -0.524380 ESP Fit Center 8448 is at 5.829271 -3.357644 -0.524380 ESP Fit Center 8449 is at 6.153301 -3.076870 -0.524380 ESP Fit Center 8450 is at 6.418338 -2.739848 -0.524380 ESP Fit Center 8451 is at 6.614804 -2.358757 -0.524380 ESP Fit Center 8452 is at 6.735597 -1.947372 -0.524380 ESP Fit Center 8453 is at 6.599551 -1.520561 -0.903532 ESP Fit Center 8454 is at 6.557005 -1.102170 -0.903532 ESP Fit Center 8455 is at 6.431108 -0.700908 -0.903532 ESP Fit Center 8456 is at 3.605748 -3.386613 -0.903532 ESP Fit Center 8457 is at 4.000119 -3.532672 -0.903532 ESP Fit Center 8458 is at 4.415818 -3.596354 -0.903532 ESP Fit Center 8459 is at 4.835827 -3.575054 -0.903532 ESP Fit Center 8460 is at 5.242951 -3.469642 -0.903532 ESP Fit Center 8461 is at 5.620522 -3.284435 -0.903532 ESP Fit Center 8462 is at 5.953081 -3.027015 -0.903532 ESP Fit Center 8463 is at 6.227015 -2.707920 -0.903532 ESP Fit Center 8464 is at 6.431108 -2.340214 -0.903532 ESP Fit Center 8465 is at 6.557005 -1.938952 -0.903532 ESP Fit Center 8466 is at 6.359597 -1.520561 -1.246222 ESP Fit Center 8467 is at 6.310040 -1.096572 -1.246222 ESP Fit Center 8468 is at 3.601837 -3.112755 -1.246222 ESP Fit Center 8469 is at 3.993801 -3.281831 -1.246222 ESP Fit Center 8470 is at 4.414191 -3.355957 -1.246222 ESP Fit Center 8471 is at 4.840344 -3.331137 -1.246222 ESP Fit Center 8472 is at 5.249286 -3.208708 -1.246222 ESP Fit Center 8473 is at 5.618971 -2.995270 -1.246222 ESP Fit Center 8474 is at 5.929468 -2.702330 -1.246222 ESP Fit Center 8475 is at 6.164040 -2.345681 -1.246222 ESP Fit Center 8476 is at 6.310040 -1.944550 -1.246222 ESP Fit Center 8477 is at 6.063781 -1.520561 -1.542038 ESP Fit Center 8478 is at 6.006574 -1.104348 -1.542038 ESP Fit Center 8479 is at 3.631451 -2.780893 -1.542038 ESP Fit Center 8480 is at 4.004475 -2.974178 -1.542038 ESP Fit Center 8481 is at 4.415814 -3.059655 -1.542038 ESP Fit Center 8482 is at 4.834960 -3.030985 -1.542038 ESP Fit Center 8483 is at 5.230828 -2.890293 -1.542038 ESP Fit Center 8484 is at 5.574059 -2.648015 -1.542038 ESP Fit Center 8485 is at 5.839195 -2.322118 -1.542038 ESP Fit Center 8486 is at 6.006574 -1.936774 -1.542038 ESP Fit Center 8487 is at 5.721091 -1.520561 -1.781993 ESP Fit Center 8488 is at 3.921091 -2.559792 -1.781993 ESP Fit Center 8489 is at 4.312713 -2.702330 -1.781993 ESP Fit Center 8490 is at 4.729468 -2.702330 -1.781993 ESP Fit Center 8491 is at 5.121091 -2.559792 -1.781993 ESP Fit Center 8492 is at 5.440344 -2.291906 -1.781993 ESP Fit Center 8493 is at 5.648722 -1.930985 -1.781993 ESP Fit Center 8494 is at 4.521091 -2.341409 -1.958794 ESP Fit Center 8495 is at 4.931515 -2.231437 -1.958794 ESP Fit Center 8496 is at 5.231966 -1.930985 -1.958794 ESP Fit Center 8497 is at 4.729468 -1.881482 -2.067070 ESP Fit Center 8498 is at 4.496271 2.426802 1.255048 ESP Fit Center 8499 is at 4.115952 2.578335 1.255048 ESP Fit Center 8500 is at 5.196243 2.267084 0.975573 ESP Fit Center 8501 is at 4.881230 2.540045 0.975573 ESP Fit Center 8502 is at 4.520251 2.748456 0.975573 ESP Fit Center 8503 is at 4.126354 2.884785 0.975573 ESP Fit Center 8504 is at 5.516346 2.293791 0.657955 ESP Fit Center 8505 is at 5.228705 2.593911 0.657955 ESP Fit Center 8506 is at 4.894481 2.841102 0.657955 ESP Fit Center 8507 is at 4.523288 3.028253 0.657955 ESP Fit Center 8508 is at 4.125807 3.149980 0.657955 ESP Fit Center 8509 is at 5.982785 1.963355 0.308109 ESP Fit Center 8510 is at 5.764393 2.319738 0.308109 ESP Fit Center 8511 is at 5.492940 2.637570 0.308109 ESP Fit Center 8512 is at 5.175108 2.909023 0.308109 ESP Fit Center 8513 is at 4.818725 3.127415 0.308109 ESP Fit Center 8514 is at 4.432566 3.287368 0.308109 ESP Fit Center 8515 is at 4.026138 3.384942 0.308109 ESP Fit Center 8516 is at 6.406110 1.165664 -0.067447 ESP Fit Center 8517 is at 6.316380 1.568474 -0.067447 ESP Fit Center 8518 is at 6.168956 1.953928 -0.067447 ESP Fit Center 8519 is at 5.966981 2.313808 -0.067447 ESP Fit Center 8520 is at 5.714760 2.640446 -0.067447 ESP Fit Center 8521 is at 5.417667 2.926879 -0.067447 ESP Fit Center 8522 is at 5.082036 3.167003 -0.067447 ESP Fit Center 8523 is at 4.715019 3.355699 -0.067447 ESP Fit Center 8524 is at 4.324438 3.488947 -0.067447 ESP Fit Center 8525 is at 3.918619 3.563905 -0.067447 ESP Fit Center 8526 is at 6.546703 0.754081 -0.461718 ESP Fit Center 8527 is at 6.518118 1.162867 -0.461718 ESP Fit Center 8528 is at 6.432919 1.563697 -0.461718 ESP Fit Center 8529 is at 6.292764 1.948769 -0.461718 ESP Fit Center 8530 is at 6.100382 2.310587 -0.461718 ESP Fit Center 8531 is at 5.859517 2.642110 -0.461718 ESP Fit Center 8532 is at 5.574856 2.936884 -0.461718 ESP Fit Center 8533 is at 5.251941 3.189173 -0.461718 ESP Fit Center 8534 is at 4.897057 3.394065 -0.461718 ESP Fit Center 8535 is at 4.517112 3.547574 -0.461718 ESP Fit Center 8536 is at 4.119499 3.646709 -0.461718 ESP Fit Center 8537 is at 3.711959 3.689544 -0.461718 ESP Fit Center 8538 is at 6.518118 0.345294 -0.461718 ESP Fit Center 8539 is at 6.602457 0.754081 -0.867359 ESP Fit Center 8540 is at 6.573329 1.170627 -0.867359 ESP Fit Center 8541 is at 6.486513 1.579065 -0.867359 ESP Fit Center 8542 is at 6.343698 1.971446 -0.867359 ESP Fit Center 8543 is at 6.147664 2.340132 -0.867359 ESP Fit Center 8544 is at 5.902227 2.677948 -0.867359 ESP Fit Center 8545 is at 5.612163 2.978318 -0.867359 ESP Fit Center 8546 is at 5.283119 3.235395 -0.867359 ESP Fit Center 8547 is at 4.921498 3.444177 -0.867359 ESP Fit Center 8548 is at 4.534341 3.600599 -0.867359 ESP Fit Center 8549 is at 4.129181 3.701616 -0.867359 ESP Fit Center 8550 is at 3.713905 3.745264 -0.867359 ESP Fit Center 8551 is at 6.486513 -0.070904 -0.867359 ESP Fit Center 8552 is at 6.573329 0.337535 -0.867359 ESP Fit Center 8553 is at 6.602457 0.754081 -1.276814 ESP Fit Center 8554 is at 6.573329 1.170627 -1.276814 ESP Fit Center 8555 is at 6.486513 1.579065 -1.276814 ESP Fit Center 8556 is at 6.343698 1.971446 -1.276814 ESP Fit Center 8557 is at 6.147664 2.340132 -1.276814 ESP Fit Center 8558 is at 5.902227 2.677948 -1.276814 ESP Fit Center 8559 is at 5.612163 2.978318 -1.276814 ESP Fit Center 8560 is at 5.283119 3.235395 -1.276814 ESP Fit Center 8561 is at 4.921498 3.444177 -1.276814 ESP Fit Center 8562 is at 4.534341 3.600599 -1.276814 ESP Fit Center 8563 is at 4.129181 3.701616 -1.276814 ESP Fit Center 8564 is at 3.713905 3.745264 -1.276814 ESP Fit Center 8565 is at 3.296596 3.730691 -1.276814 ESP Fit Center 8566 is at 6.343698 -0.463285 -1.276814 ESP Fit Center 8567 is at 6.486513 -0.070904 -1.276814 ESP Fit Center 8568 is at 6.573329 0.337535 -1.276814 ESP Fit Center 8569 is at 6.546703 0.754081 -1.682454 ESP Fit Center 8570 is at 6.518118 1.162867 -1.682454 ESP Fit Center 8571 is at 6.432919 1.563697 -1.682454 ESP Fit Center 8572 is at 6.292764 1.948769 -1.682454 ESP Fit Center 8573 is at 6.100382 2.310587 -1.682454 ESP Fit Center 8574 is at 5.859517 2.642110 -1.682454 ESP Fit Center 8575 is at 5.574856 2.936884 -1.682454 ESP Fit Center 8576 is at 5.251941 3.189173 -1.682454 ESP Fit Center 8577 is at 4.897057 3.394065 -1.682454 ESP Fit Center 8578 is at 4.517112 3.547574 -1.682454 ESP Fit Center 8579 is at 4.119499 3.646709 -1.682454 ESP Fit Center 8580 is at 3.711959 3.689544 -1.682454 ESP Fit Center 8581 is at 3.302424 3.675242 -1.682454 ESP Fit Center 8582 is at 2.898865 3.604084 -1.682454 ESP Fit Center 8583 is at 5.859517 -1.133949 -1.682454 ESP Fit Center 8584 is at 6.100382 -0.802426 -1.682454 ESP Fit Center 8585 is at 6.292764 -0.440607 -1.682454 ESP Fit Center 8586 is at 6.432919 -0.055536 -1.682454 ESP Fit Center 8587 is at 6.518118 0.345294 -1.682454 ESP Fit Center 8588 is at 6.436233 0.754081 -2.076725 ESP Fit Center 8589 is at 6.406110 1.165664 -2.076725 ESP Fit Center 8590 is at 6.316380 1.568474 -2.076725 ESP Fit Center 8591 is at 6.168956 1.953928 -2.076725 ESP Fit Center 8592 is at 5.966981 2.313808 -2.076725 ESP Fit Center 8593 is at 5.714760 2.640446 -2.076725 ESP Fit Center 8594 is at 5.417667 2.926879 -2.076725 ESP Fit Center 8595 is at 5.082036 3.167003 -2.076725 ESP Fit Center 8596 is at 4.715019 3.355699 -2.076725 ESP Fit Center 8597 is at 4.324438 3.488947 -2.076725 ESP Fit Center 8598 is at 3.918619 3.563905 -2.076725 ESP Fit Center 8599 is at 3.506211 3.578978 -2.076725 ESP Fit Center 8600 is at 3.096003 3.533842 -2.076725 ESP Fit Center 8601 is at 4.715019 -1.847538 -2.076725 ESP Fit Center 8602 is at 5.082036 -1.658842 -2.076725 ESP Fit Center 8603 is at 5.417667 -1.418718 -2.076725 ESP Fit Center 8604 is at 5.714760 -1.132285 -2.076725 ESP Fit Center 8605 is at 5.966981 -0.805647 -2.076725 ESP Fit Center 8606 is at 6.168956 -0.445766 -2.076725 ESP Fit Center 8607 is at 6.316380 -0.060313 -2.076725 ESP Fit Center 8608 is at 6.406110 0.342498 -2.076725 ESP Fit Center 8609 is at 6.273106 0.754081 -2.452281 ESP Fit Center 8610 is at 6.240312 1.170768 -2.452281 ESP Fit Center 8611 is at 6.142738 1.577196 -2.452281 ESP Fit Center 8612 is at 5.982785 1.963355 -2.452281 ESP Fit Center 8613 is at 5.764393 2.319738 -2.452281 ESP Fit Center 8614 is at 5.492940 2.637570 -2.452281 ESP Fit Center 8615 is at 5.175108 2.909023 -2.452281 ESP Fit Center 8616 is at 4.818725 3.127415 -2.452281 ESP Fit Center 8617 is at 4.432566 3.287368 -2.452281 ESP Fit Center 8618 is at 4.026138 3.384942 -2.452281 ESP Fit Center 8619 is at 3.609451 3.417736 -2.452281 ESP Fit Center 8620 is at 4.026138 -1.876781 -2.452281 ESP Fit Center 8621 is at 4.432566 -1.779206 -2.452281 ESP Fit Center 8622 is at 4.818725 -1.619254 -2.452281 ESP Fit Center 8623 is at 5.175108 -1.400862 -2.452281 ESP Fit Center 8624 is at 5.492940 -1.129408 -2.452281 ESP Fit Center 8625 is at 5.764393 -0.811577 -2.452281 ESP Fit Center 8626 is at 5.982785 -0.455194 -2.452281 ESP Fit Center 8627 is at 6.142738 -0.069034 -2.452281 ESP Fit Center 8628 is at 6.240312 0.337393 -2.452281 ESP Fit Center 8629 is at 6.060360 0.754081 -2.802127 ESP Fit Center 8630 is at 6.025106 1.168286 -2.802127 ESP Fit Center 8631 is at 5.920358 1.570576 -2.802127 ESP Fit Center 8632 is at 5.749129 1.949377 -2.802127 ESP Fit Center 8633 is at 5.516346 2.293791 -2.802127 ESP Fit Center 8634 is at 5.228705 2.593911 -2.802127 ESP Fit Center 8635 is at 4.894481 2.841102 -2.802127 ESP Fit Center 8636 is at 4.523288 3.028253 -2.802127 ESP Fit Center 8637 is at 4.125807 3.149980 -2.802127 ESP Fit Center 8638 is at 3.713470 3.202782 -2.802127 ESP Fit Center 8639 is at 2.891769 -1.589398 -2.802127 ESP Fit Center 8640 is at 3.298142 -1.676978 -2.802127 ESP Fit Center 8641 is at 3.713470 -1.694621 -2.802127 ESP Fit Center 8642 is at 4.125807 -1.641819 -2.802127 ESP Fit Center 8643 is at 4.523288 -1.520092 -2.802127 ESP Fit Center 8644 is at 4.894481 -1.332940 -2.802127 ESP Fit Center 8645 is at 5.228705 -1.085749 -2.802127 ESP Fit Center 8646 is at 5.516346 -0.785630 -2.802127 ESP Fit Center 8647 is at 5.749129 -0.441216 -2.802127 ESP Fit Center 8648 is at 5.920358 -0.062415 -2.802127 ESP Fit Center 8649 is at 6.025106 0.339875 -2.802127 ESP Fit Center 8650 is at 5.801959 0.754081 -3.119746 ESP Fit Center 8651 is at 5.762337 1.169015 -3.119746 ESP Fit Center 8652 is at 5.644905 1.568954 -3.119746 ESP Fit Center 8653 is at 5.453906 1.939440 -3.119746 ESP Fit Center 8654 is at 5.196243 2.267084 -3.119746 ESP Fit Center 8655 is at 4.881230 2.540045 -3.119746 ESP Fit Center 8656 is at 4.520251 2.748456 -3.119746 ESP Fit Center 8657 is at 4.126354 2.884785 -3.119746 ESP Fit Center 8658 is at 3.713774 2.944105 -3.119746 ESP Fit Center 8659 is at 2.892352 -1.317841 -3.119746 ESP Fit Center 8660 is at 3.297424 -1.416111 -3.119746 ESP Fit Center 8661 is at 3.713774 -1.435944 -3.119746 ESP Fit Center 8662 is at 4.126354 -1.376624 -3.119746 ESP Fit Center 8663 is at 4.520251 -1.240295 -3.119746 ESP Fit Center 8664 is at 4.881230 -1.031884 -3.119746 ESP Fit Center 8665 is at 5.196243 -0.758923 -3.119746 ESP Fit Center 8666 is at 5.453906 -0.431279 -3.119746 ESP Fit Center 8667 is at 5.644905 -0.060792 -3.119746 ESP Fit Center 8668 is at 5.762337 0.339146 -3.119746 ESP Fit Center 8669 is at 5.502715 0.754081 -3.399220 ESP Fit Center 8670 is at 5.458451 1.161076 -3.399220 ESP Fit Center 8671 is at 5.327730 1.549041 -3.399220 ESP Fit Center 8672 is at 5.116665 1.899835 -3.399220 ESP Fit Center 8673 is at 4.835124 2.197054 -3.399220 ESP Fit Center 8674 is at 4.496271 2.426802 -3.399220 ESP Fit Center 8675 is at 4.115952 2.578335 -3.399220 ESP Fit Center 8676 is at 2.908682 -1.004717 -3.399220 ESP Fit Center 8677 is at 3.303155 -1.114242 -3.399220 ESP Fit Center 8678 is at 3.711950 -1.136407 -3.399220 ESP Fit Center 8679 is at 4.115952 -1.070174 -3.399220 ESP Fit Center 8680 is at 4.496271 -0.918641 -3.399220 ESP Fit Center 8681 is at 4.835124 -0.688893 -3.399220 ESP Fit Center 8682 is at 5.116665 -0.391674 -3.399220 ESP Fit Center 8683 is at 5.327730 -0.040880 -3.399220 ESP Fit Center 8684 is at 5.458451 0.347085 -3.399220 ESP Fit Center 8685 is at 5.168203 0.754081 -3.635345 ESP Fit Center 8686 is at 5.110400 1.174627 -3.635345 ESP Fit Center 8687 is at 4.941279 1.563983 -3.635345 ESP Fit Center 8688 is at 4.673382 1.893273 -3.635345 ESP Fit Center 8689 is at 4.326578 2.138073 -3.635345 ESP Fit Center 8690 is at 3.926588 2.280230 -3.635345 ESP Fit Center 8691 is at 2.400309 -0.229629 -3.635345 ESP Fit Center 8692 is at 2.710549 -0.519373 -3.635345 ESP Fit Center 8693 is at 3.087457 -0.714670 -3.635345 ESP Fit Center 8694 is at 3.503078 -0.801037 -3.635345 ESP Fit Center 8695 is at 3.926588 -0.772068 -3.635345 ESP Fit Center 8696 is at 4.326578 -0.629912 -3.635345 ESP Fit Center 8697 is at 4.673382 -0.385111 -3.635345 ESP Fit Center 8698 is at 4.941279 -0.055822 -3.635345 ESP Fit Center 8699 is at 5.110400 0.333534 -3.635345 ESP Fit Center 8700 is at 4.804654 0.754081 -3.823720 ESP Fit Center 8701 is at 4.732574 1.162864 -3.823720 ESP Fit Center 8702 is at 4.525030 1.522342 -3.823720 ESP Fit Center 8703 is at 4.207052 1.789157 -3.823720 ESP Fit Center 8704 is at 3.816996 1.931126 -3.823720 ESP Fit Center 8705 is at 2.693872 -0.014181 -3.823720 ESP Fit Center 8706 is at 3.011849 -0.280996 -3.823720 ESP Fit Center 8707 is at 3.401906 -0.422965 -3.823720 ESP Fit Center 8708 is at 3.816996 -0.422965 -3.823720 ESP Fit Center 8709 is at 4.207052 -0.280996 -3.823720 ESP Fit Center 8710 is at 4.525030 -0.014181 -3.823720 ESP Fit Center 8711 is at 4.732574 0.345297 -3.823720 ESP Fit Center 8712 is at 4.418841 0.754081 -3.960838 ESP Fit Center 8713 is at 4.310403 1.158776 -3.960838 ESP Fit Center 8714 is at 4.014146 1.455033 -3.960838 ESP Fit Center 8715 is at 3.204756 0.053128 -3.960838 ESP Fit Center 8716 is at 3.609451 -0.055310 -3.960838 ESP Fit Center 8717 is at 4.014146 0.053128 -3.960838 ESP Fit Center 8718 is at 4.310403 0.349385 -3.960838 ESP Fit Center 8719 is at 4.017951 0.754081 -4.044144 ESP Fit Center 8720 is at 3.813701 1.107852 -4.044144 ESP Fit Center 8721 is at 3.405201 0.400309 -4.044144 ESP Fit Center 8722 is at 3.813701 0.400309 -4.044144 ESP Fit Center 8723 is at 3.609451 0.754081 -4.072086 ESP Fit Center 8724 is at 2.836732 3.502079 -2.130473 ESP Fit Center 8725 is at 3.050081 3.393628 -2.534565 ESP Fit Center 8726 is at 2.621814 3.373228 -2.534565 ESP Fit Center 8727 is at 3.257508 3.195413 -2.913717 ESP Fit Center 8728 is at 2.837499 3.216714 -2.913717 ESP Fit Center 8729 is at 3.670967 2.829067 -3.256407 ESP Fit Center 8730 is at 3.262025 2.951496 -3.256407 ESP Fit Center 8731 is at 2.835872 2.976317 -3.256407 ESP Fit Center 8732 is at 2.415482 2.902191 -3.256407 ESP Fit Center 8733 is at 3.652510 2.510652 -3.552224 ESP Fit Center 8734 is at 3.256641 2.651344 -3.552224 ESP Fit Center 8735 is at 2.837495 2.680014 -3.552224 ESP Fit Center 8736 is at 2.426156 2.594537 -3.552224 ESP Fit Center 8737 is at 3.542772 2.180151 -3.792178 ESP Fit Center 8738 is at 3.151150 2.322690 -3.792178 ESP Fit Center 8739 is at 2.734394 2.322690 -3.792178 ESP Fit Center 8740 is at 2.342772 2.180151 -3.792178 ESP Fit Center 8741 is at 2.023518 1.912266 -3.792178 ESP Fit Center 8742 is at 1.815141 1.551345 -3.792178 ESP Fit Center 8743 is at 2.023518 0.369575 -3.792178 ESP Fit Center 8744 is at 2.342772 0.101690 -3.792178 ESP Fit Center 8745 is at 3.653647 1.551345 -3.968979 ESP Fit Center 8746 is at 3.353196 1.851796 -3.968979 ESP Fit Center 8747 is at 2.942772 1.961769 -3.968979 ESP Fit Center 8748 is at 2.532348 1.851796 -3.968979 ESP Fit Center 8749 is at 2.231896 1.551345 -3.968979 ESP Fit Center 8750 is at 2.121923 1.140921 -3.968979 ESP Fit Center 8751 is at 2.231896 0.730496 -3.968979 ESP Fit Center 8752 is at 2.532348 0.430045 -3.968979 ESP Fit Center 8753 is at 2.942772 0.320072 -3.968979 ESP Fit Center 8754 is at 3.359527 1.140921 -4.077256 ESP Fit Center 8755 is at 3.151150 1.501842 -4.077256 ESP Fit Center 8756 is at 2.734394 1.501842 -4.077256 ESP Fit Center 8757 is at 2.526016 1.140921 -4.077256 ESP Fit Center 8758 is at 2.734394 0.780000 -4.077256 ESP Fit Center 8759 is at 3.151150 0.780000 -4.077256 ESP Fit Center 8760 is at 2.942772 1.140921 -4.113717 Entering OneElI... OneElI was handed 2147296847 working-precision words. Calculate electrostatic properties NBasis = 319 MinDer = 0 MaxDer = 0 NGrid = 8760 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 24.35 SMaxX= 16.10 Shift= 7.253287 5.117110 4.159449 Box 1 Number 0 centers from 1 to 107: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.43D+01 RnKept= 1.27D+01 NSMCal= 5778 NSMKep= 2876 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 25193760 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 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs PRISM was handed 178719639 working-precision words and 2876 shell-pairs IPart= 7 NShTot= 2041080 NBatch= 1994 AvBLen= 1023.6 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 2111160 NBatch= 2105 AvBLen= 1002.9 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 2128680 NBatch= 2121 AvBLen= 1003.6 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2286360 NBatch= 2430 AvBLen= 940.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 1927200 NBatch= 1861 AvBLen= 1035.6 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 1944720 NBatch= 1883 AvBLen= 1032.8 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 1988520 NBatch= 1932 AvBLen= 1029.3 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 1979760 NBatch= 1923 AvBLen= 1029.5 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 2154960 NBatch= 2150 AvBLen= 1002.3 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2190000 NBatch= 2185 AvBLen= 1002.3 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 2216280 NBatch= 2213 AvBLen= 1001.5 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 2225040 NBatch= 2238 AvBLen= 994.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 8726 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00157 RRMS= 0.08380: ESP charges: 1 1 C 0.435601 2 C -0.398636 3 O -0.659358 4 O -0.625926 5 C 1.065781 6 N -0.906905 7 C 0.987639 8 O -0.639651 9 N -0.565725 10 C 0.573569 11 C -0.585626 12 H 0.073219 13 H 0.110340 14 H 0.133845 15 H 0.426642 16 C -0.074242 17 Cl -0.028171 18 H 0.124092 19 H 0.436762 20 H 0.083298 21 H 0.056114 22 N -0.257959 23 C -0.187016 24 C -0.077028 25 C -0.259781 26 C 0.733396 27 H 0.123191 28 H 0.109433 29 H 0.052198 30 H 0.073418 31 H 0.111440 32 H 0.108949 33 N -1.005838 34 H 0.452937 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.508820 2 C -0.030360 3 O -0.222596 4 O -0.625926 5 C 1.065781 6 N -0.480263 7 C 0.987639 8 O -0.639651 9 N -0.565725 10 C 0.573569 11 C -0.585626 16 C 0.065170 17 Cl -0.028171 22 N -0.257959 23 C 0.045608 24 C 0.048588 25 C -0.039392 26 C 0.733396 33 N -0.552901 Charge= -0.00000 Dipole= 0.6115 1.0435 -0.0387 Tot= 1.2101 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.598399 2 Atom -14.727352 3 Atom -22.267031 4 Atom -22.322093 5 Atom -14.569925 6 Atom -18.266711 7 Atom -14.535218 8 Atom -22.322175 9 Atom -18.249778 10 Atom -14.607357 11 Atom -14.641499 12 Atom -1.088553 13 Atom -1.103133 14 Atom -1.105006 15 Atom -0.969136 16 Atom -14.658302 17 Atom -64.383203 18 Atom -1.106343 19 Atom -0.950335 20 Atom -1.087390 21 Atom -1.076270 22 Atom -18.301943 23 Atom -14.681699 24 Atom -14.716347 25 Atom -14.720955 26 Atom -14.645747 27 Atom -1.104673 28 Atom -1.111449 29 Atom -1.112428 30 Atom -1.107181 31 Atom -1.107973 32 Atom -1.103759 33 Atom -18.387971 34 Atom -1.063760 35 Fit 0.022995 36 Fit 0.020003 37 Fit 0.008145 38 Fit 0.007857 39 Fit 0.008041 40 Fit 0.008442 41 Fit 0.008757 42 Fit 0.008758 43 Fit 0.010417 44 Fit 0.010021 45 Fit 0.009015 46 Fit 0.006306 47 Fit 0.005994 48 Fit 0.006632 49 Fit 0.007911 50 Fit 0.008270 51 Fit 0.007297 52 Fit 0.005684 53 Fit 0.003893 54 Fit 0.005111 55 Fit 0.010308 56 Fit 0.009524 57 Fit 0.001304 58 Fit 0.003250 59 Fit 0.016324 60 Fit -0.004382 61 Fit -0.004035 62 Fit -0.002764 63 Fit -0.007496 64 Fit -0.000851 65 Fit -0.010665 66 Fit -0.014580 67 Fit -0.014647 68 Fit -0.012272 69 Fit -0.008194 70 Fit -0.002325 71 Fit 0.005759 72 Fit 0.016239 73 Fit 0.028961 74 Fit -0.004105 75 Fit -0.014678 76 Fit -0.019206 77 Fit -0.019849 78 Fit -0.017763 79 Fit -0.013395 80 Fit -0.006730 81 Fit 0.002441 82 Fit 0.014287 83 Fit 0.028811 84 Fit -0.007715 85 Fit -0.016686 86 Fit -0.020611 87 Fit -0.020847 88 Fit -0.018195 89 Fit -0.012906 90 Fit -0.004895 91 Fit 0.006083 92 Fit 0.020324 93 Fit -0.010342 94 Fit -0.016730 95 Fit -0.018997 96 Fit -0.017650 97 Fit -0.013029 98 Fit -0.005105 99 Fit 0.006432 100 Fit 0.034141 101 Fit 0.028985 102 Fit -0.000245 103 Fit -0.010000 104 Fit -0.013710 105 Fit -0.013899 106 Fit -0.010438 107 Fit -0.003224 108 Fit 0.008077 109 Fit 0.032475 110 Fit 0.023665 111 Fit 0.003964 112 Fit -0.003572 113 Fit -0.006032 114 Fit -0.007391 115 Fit -0.004440 116 Fit 0.003446 117 Fit 0.016818 118 Fit 0.027335 119 Fit 0.017409 120 Fit 0.010510 121 Fit 0.004373 122 Fit -0.001546 123 Fit 0.001482 124 Fit 0.002795 125 Fit 0.010558 126 Fit 0.021426 127 Fit 0.011673 128 Fit 0.005007 129 Fit 0.012419 130 Fit 0.019294 131 Fit 0.018049 132 Fit -0.017878 133 Fit -0.011495 134 Fit -0.004782 135 Fit -0.010533 136 Fit -0.023059 137 Fit -0.027995 138 Fit -0.022876 139 Fit 0.001384 140 Fit -0.014855 141 Fit -0.027553 142 Fit -0.034006 143 Fit -0.035526 144 Fit -0.033151 145 Fit -0.026783 146 Fit -0.016214 147 Fit -0.010278 148 Fit -0.026310 149 Fit -0.035368 150 Fit -0.039702 151 Fit -0.041068 152 Fit -0.040313 153 Fit -0.037403 154 Fit -0.031655 155 Fit -0.022186 156 Fit -0.008658 157 Fit -0.005987 158 Fit -0.024412 159 Fit -0.035053 160 Fit -0.040870 161 Fit -0.043771 162 Fit -0.044935 163 Fit -0.044937 164 Fit -0.043826 165 Fit -0.041209 166 Fit -0.036348 167 Fit -0.028276 168 Fit -0.016066 169 Fit -0.021193 170 Fit -0.033749 171 Fit -0.040875 172 Fit -0.044759 173 Fit -0.046770 174 Fit -0.047732 175 Fit -0.048013 176 Fit -0.047585 177 Fit -0.046086 178 Fit -0.042865 179 Fit -0.036954 180 Fit -0.026979 181 Fit -0.011547 182 Fit -0.018684 183 Fit -0.031816 184 Fit -0.039731 185 Fit -0.044387 186 Fit -0.047077 187 Fit -0.048665 188 Fit -0.049672 189 Fit -0.050308 190 Fit -0.050510 191 Fit -0.049986 192 Fit -0.048260 193 Fit -0.044596 194 Fit -0.037668 195 Fit -0.015048 196 Fit -0.028800 197 Fit -0.037611 198 Fit -0.043095 199 Fit -0.046461 200 Fit -0.048596 201 Fit -0.050100 202 Fit -0.051299 203 Fit -0.052261 204 Fit -0.052838 205 Fit -0.052721 206 Fit -0.051459 207 Fit -0.048203 208 Fit -0.002698 209 Fit -0.018581 210 Fit -0.030083 211 Fit -0.037897 212 Fit -0.043016 213 Fit -0.046364 214 Fit -0.048683 215 Fit -0.050492 216 Fit -0.052068 217 Fit -0.053455 218 Fit -0.054508 219 Fit -0.054961 220 Fit -0.054413 221 Fit 0.001267 222 Fit -0.013381 223 Fit -0.025205 224 Fit -0.033908 225 Fit -0.039980 226 Fit -0.044157 227 Fit -0.047142 228 Fit -0.049484 229 Fit -0.051516 230 Fit -0.053345 231 Fit -0.054885 232 Fit -0.055929 233 Fit -0.056105 234 Fit -0.003805 235 Fit -0.017414 236 Fit -0.027934 237 Fit -0.035601 238 Fit -0.041027 239 Fit -0.044943 240 Fit -0.047978 241 Fit -0.050536 242 Fit -0.052758 243 Fit -0.054556 244 Fit -0.055678 245 Fit -0.007123 246 Fit -0.019964 247 Fit -0.029542 248 Fit -0.036499 249 Fit -0.041551 250 Fit -0.045371 251 Fit -0.048424 252 Fit -0.050880 253 Fit -0.052641 254 Fit -0.053236 255 Fit -0.006151 256 Fit -0.019961 257 Fit -0.029949 258 Fit -0.037015 259 Fit -0.042039 260 Fit -0.045626 261 Fit -0.047896 262 Fit -0.048281 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