Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1130892.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1130894. Copyright (c) 1988-2021, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.02 7-Dec-2021 6-May-2024 ****************************************** %chk=gau.chk %mem=16GB %nprocshared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 6.958 -5.037 2.04 C 7.355 -4.85 3.5 O 6.632 -6.405 1.86 O 2.687 -1.916 0.47 C 3.606 -2.659 0.83 N 4.912 -2.218 0.82 C 6.031 -2.941 1.2 S 7.674 -2.235 1.126 N 5.785 -4.219 1.62 C 4.517 -4.743 1.67 C 3.456 -4.018 1.3 H 7.786 -4.808 1.37 H 8.43 -4.94 3.654 H 7.049 -3.881 3.894 H 5.072 -1.253 0.497 C 4.314 -6.189 2.16 H 2.49 -4.376 1.321 H 6.863 -5.625 4.087 H 7.467 -6.998 2.092 H 5.279 -6.625 2.418 H 3.848 -6.778 1.371 C 3.404 -6.187 3.403 H 3.26 -7.21 3.75 H 2.438 -5.751 3.147 H 3.869 -5.598 4.193 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5245 estimate D2E/DX2 ! ! R2 R(1,3) 1.4178 estimate D2E/DX2 ! ! R3 R(1,9) 1.4905 estimate D2E/DX2 ! ! R4 R(1,12) 1.0895 estimate D2E/DX2 ! ! R5 R(2,13) 1.0897 estimate D2E/DX2 ! ! R6 R(2,14) 1.0899 estimate D2E/DX2 ! ! R7 R(2,18) 1.0896 estimate D2E/DX2 ! ! R8 R(3,19) 1.0501 estimate D2E/DX2 ! ! R9 R(4,5) 1.2354 estimate D2E/DX2 ! ! R10 R(5,6) 1.3785 estimate D2E/DX2 ! ! R11 R(5,11) 1.4458 estimate D2E/DX2 ! ! R12 R(6,7) 1.3854 estimate D2E/DX2 ! ! R13 R(6,15) 1.0301 estimate D2E/DX2 ! ! R14 R(7,8) 1.7898 estimate D2E/DX2 ! ! R15 R(7,9) 1.3676 estimate D2E/DX2 ! ! R16 R(9,10) 1.3729 estimate D2E/DX2 ! ! R17 R(10,11) 1.3373 estimate D2E/DX2 ! ! R18 R(10,16) 1.5402 estimate D2E/DX2 ! ! R19 R(11,17) 1.0304 estimate D2E/DX2 ! ! R20 R(16,20) 1.0899 estimate D2E/DX2 ! ! R21 R(16,21) 1.0893 estimate D2E/DX2 ! ! R22 R(16,22) 1.5405 estimate D2E/DX2 ! ! R23 R(22,23) 1.0898 estimate D2E/DX2 ! ! R24 R(22,24) 1.0903 estimate D2E/DX2 ! ! R25 R(22,25) 1.0896 estimate D2E/DX2 ! ! A1 A(2,1,3) 107.4466 estimate D2E/DX2 ! ! A2 A(2,1,9) 114.0473 estimate D2E/DX2 ! ! A3 A(2,1,12) 111.4235 estimate D2E/DX2 ! ! A4 A(3,1,9) 108.2291 estimate D2E/DX2 ! ! A5 A(3,1,12) 107.4271 estimate D2E/DX2 ! ! A6 A(9,1,12) 108.0276 estimate D2E/DX2 ! ! A7 A(1,2,13) 112.4643 estimate D2E/DX2 ! ! A8 A(1,2,14) 112.467 estimate D2E/DX2 ! ! A9 A(1,2,18) 108.1251 estimate D2E/DX2 ! ! A10 A(13,2,14) 107.4168 estimate D2E/DX2 ! ! A11 A(13,2,18) 108.0934 estimate D2E/DX2 ! ! A12 A(14,2,18) 108.1103 estimate D2E/DX2 ! ! A13 A(1,3,19) 109.5115 estimate D2E/DX2 ! ! A14 A(4,5,6) 120.6808 estimate D2E/DX2 ! ! A15 A(4,5,11) 125.6532 estimate D2E/DX2 ! ! A16 A(6,5,11) 113.6637 estimate D2E/DX2 ! ! A17 A(5,6,7) 126.6053 estimate D2E/DX2 ! ! A18 A(5,6,15) 116.6873 estimate D2E/DX2 ! ! A19 A(7,6,15) 116.7074 estimate D2E/DX2 ! ! A20 A(6,7,8) 121.6192 estimate D2E/DX2 ! ! A21 A(6,7,9) 115.255 estimate D2E/DX2 ! ! A22 A(8,7,9) 123.1242 estimate D2E/DX2 ! ! A23 A(1,9,7) 117.2492 estimate D2E/DX2 ! ! A24 A(1,9,10) 120.4731 estimate D2E/DX2 ! ! A25 A(7,9,10) 122.276 estimate D2E/DX2 ! ! A26 A(9,10,11) 121.0499 estimate D2E/DX2 ! ! A27 A(9,10,16) 119.4485 estimate D2E/DX2 ! ! A28 A(11,10,16) 119.5016 estimate D2E/DX2 ! ! A29 A(5,11,10) 121.1475 estimate D2E/DX2 ! ! A30 A(5,11,17) 115.4972 estimate D2E/DX2 ! ! A31 A(10,11,17) 123.3543 estimate D2E/DX2 ! ! A32 A(10,16,20) 109.5228 estimate D2E/DX2 ! ! A33 A(10,16,21) 109.4868 estimate D2E/DX2 ! ! A34 A(10,16,22) 109.4715 estimate D2E/DX2 ! ! A35 A(20,16,21) 109.5071 estimate D2E/DX2 ! ! A36 A(20,16,22) 109.4228 estimate D2E/DX2 ! ! A37 A(21,16,22) 109.4163 estimate D2E/DX2 ! ! A38 A(16,22,23) 109.4965 estimate D2E/DX2 ! ! A39 A(16,22,24) 109.538 estimate D2E/DX2 ! ! A40 A(16,22,25) 109.4887 estimate D2E/DX2 ! ! A41 A(23,22,24) 109.4548 estimate D2E/DX2 ! ! A42 A(23,22,25) 109.4486 estimate D2E/DX2 ! ! A43 A(24,22,25) 109.4007 estimate D2E/DX2 ! ! D1 D(3,1,2,13) 93.2853 estimate D2E/DX2 ! ! D2 D(3,1,2,14) -145.2822 estimate D2E/DX2 ! ! D3 D(3,1,2,18) -25.9872 estimate D2E/DX2 ! ! D4 D(9,1,2,13) -146.7609 estimate D2E/DX2 ! ! D5 D(9,1,2,14) -25.3284 estimate D2E/DX2 ! ! D6 D(9,1,2,18) 93.9666 estimate D2E/DX2 ! ! D7 D(12,1,2,13) -24.137 estimate D2E/DX2 ! ! D8 D(12,1,2,14) 97.2954 estimate D2E/DX2 ! ! D9 D(12,1,2,18) -143.4095 estimate D2E/DX2 ! ! D10 D(2,1,3,19) -60.0064 estimate D2E/DX2 ! ! D11 D(9,1,3,19) 176.4057 estimate D2E/DX2 ! ! D12 D(12,1,3,19) 59.9898 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 86.1914 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -93.3356 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -154.2957 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 26.1773 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -38.2695 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 142.2035 estimate D2E/DX2 ! ! D19 D(4,5,6,7) 179.7596 estimate D2E/DX2 ! ! D20 D(4,5,6,15) -0.2538 estimate D2E/DX2 ! ! D21 D(11,5,6,7) 0.2858 estimate D2E/DX2 ! ! D22 D(11,5,6,15) -179.7276 estimate D2E/DX2 ! ! D23 D(4,5,11,10) -179.9149 estimate D2E/DX2 ! ! D24 D(4,5,11,17) 0.4298 estimate D2E/DX2 ! ! D25 D(6,5,11,10) -0.4719 estimate D2E/DX2 ! ! D26 D(6,5,11,17) 179.8729 estimate D2E/DX2 ! ! D27 D(5,6,7,8) 179.7162 estimate D2E/DX2 ! ! D28 D(5,6,7,9) 0.1589 estimate D2E/DX2 ! ! D29 D(15,6,7,8) -0.2704 estimate D2E/DX2 ! ! D30 D(15,6,7,9) -179.8277 estimate D2E/DX2 ! ! D31 D(6,7,9,1) -179.9757 estimate D2E/DX2 ! ! D32 D(6,7,9,10) -0.4579 estimate D2E/DX2 ! ! D33 D(8,7,9,1) 0.4744 estimate D2E/DX2 ! ! D34 D(8,7,9,10) 179.9923 estimate D2E/DX2 ! ! D35 D(1,9,10,11) 179.7861 estimate D2E/DX2 ! ! D36 D(1,9,10,16) -0.2204 estimate D2E/DX2 ! ! D37 D(7,9,10,11) 0.2834 estimate D2E/DX2 ! ! D38 D(7,9,10,16) -179.723 estimate D2E/DX2 ! ! D39 D(9,10,11,5) 0.2159 estimate D2E/DX2 ! ! D40 D(9,10,11,17) 179.8434 estimate D2E/DX2 ! ! D41 D(16,10,11,5) -179.7776 estimate D2E/DX2 ! ! D42 D(16,10,11,17) -0.1501 estimate D2E/DX2 ! ! D43 D(9,10,16,20) 0.0343 estimate D2E/DX2 ! ! D44 D(9,10,16,21) -120.0508 estimate D2E/DX2 ! ! D45 D(9,10,16,22) 120.0068 estimate D2E/DX2 ! ! D46 D(11,10,16,20) -179.9721 estimate D2E/DX2 ! ! D47 D(11,10,16,21) 59.9428 estimate D2E/DX2 ! ! D48 D(11,10,16,22) -59.9996 estimate D2E/DX2 ! ! D49 D(10,16,22,23) 179.994 estimate D2E/DX2 ! ! D50 D(10,16,22,24) 59.9576 estimate D2E/DX2 ! ! D51 D(10,16,22,25) -60.0076 estimate D2E/DX2 ! ! D52 D(20,16,22,23) -59.9723 estimate D2E/DX2 ! ! D53 D(20,16,22,24) 179.9913 estimate D2E/DX2 ! ! D54 D(20,16,22,25) 60.0261 estimate D2E/DX2 ! ! D55 D(21,16,22,23) 60.0084 estimate D2E/DX2 ! ! D56 D(21,16,22,24) -60.028 estimate D2E/DX2 ! ! D57 D(21,16,22,25) -179.9932 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= 135 maximum allowed number of steps= 150. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.958000 -5.037000 2.040000 2 6 0 7.355000 -4.850000 3.500000 3 8 0 6.632000 -6.405000 1.860000 4 8 0 2.687000 -1.916000 0.470000 5 6 0 3.606000 -2.659000 0.830000 6 7 0 4.912000 -2.218000 0.820000 7 6 0 6.031000 -2.941000 1.200000 8 16 0 7.674000 -2.235000 1.126000 9 7 0 5.785000 -4.219000 1.620000 10 6 0 4.517000 -4.743000 1.670000 11 6 0 3.456000 -4.018000 1.300000 12 1 0 7.786000 -4.808000 1.370000 13 1 0 8.430000 -4.940000 3.654000 14 1 0 7.049000 -3.881000 3.894000 15 1 0 5.072000 -1.253000 0.497000 16 6 0 4.314000 -6.189000 2.160000 17 1 0 2.490000 -4.376000 1.321000 18 1 0 6.863000 -5.625000 4.087000 19 1 0 7.467000 -6.998000 2.092000 20 1 0 5.279000 -6.625000 2.418000 21 1 0 3.848000 -6.778000 1.371000 22 6 0 3.404000 -6.187000 3.403000 23 1 0 3.260000 -7.210000 3.750000 24 1 0 2.438000 -5.751000 3.147000 25 1 0 3.869000 -5.598000 4.193000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524525 0.000000 3 O 1.417780 2.372837 0.000000 4 O 5.517878 6.291222 6.135654 0.000000 5 C 4.284260 5.097488 4.924438 1.235399 0.000000 6 N 3.690701 4.480856 4.644456 2.272516 1.378484 7 C 2.440931 3.269137 3.577163 3.572935 2.469220 8 S 3.033028 3.546246 4.360438 5.040066 4.100734 9 N 1.490454 2.529320 2.356609 4.027892 2.793876 10 C 2.486326 3.378549 2.696585 3.575029 2.424578 11 C 3.721554 4.553507 4.012274 2.387188 1.445780 12 H 1.089461 2.173574 2.030326 5.930722 4.730983 13 H 2.186593 1.089698 2.932143 7.229418 6.037294 14 H 2.186763 1.089878 3.268275 5.883200 4.768189 15 H 4.500722 5.212342 5.552880 2.475585 2.058369 16 C 2.886562 3.582765 2.347292 4.874603 3.838107 17 H 4.573500 5.351723 4.643654 2.610481 2.105855 18 H 2.131895 1.089614 2.370926 6.654198 5.478435 19 H 2.026649 2.570780 1.050094 7.162821 5.943642 20 H 2.341724 2.937878 1.479991 5.717329 4.588009 21 H 3.626395 4.533087 2.851124 5.079249 4.161419 22 C 3.976328 4.172215 3.584460 5.230489 4.371260 23 H 4.617492 4.732983 3.948482 6.254052 5.418276 24 H 4.708040 5.011317 4.435507 4.683541 4.036481 25 H 3.806843 3.632072 3.705173 5.367958 4.473998 6 7 8 9 10 6 N 0.000000 7 C 1.385384 0.000000 8 S 2.778951 1.789794 0.000000 9 N 2.325109 1.367553 2.783633 0.000000 10 C 2.693353 2.400062 4.068495 1.372917 0.000000 11 C 2.364389 2.792947 4.582673 2.359458 1.337253 12 H 3.907746 2.567998 2.586969 2.100815 3.283380 13 H 5.274198 3.971564 3.778802 3.413652 4.391655 14 H 4.096561 3.029449 3.280513 2.623550 3.478540 15 H 1.030123 2.064760 2.851380 3.250639 3.723447 16 C 4.233444 3.797261 5.290829 2.517209 1.540203 17 H 3.282385 3.822636 5.612109 3.312261 2.089311 18 H 5.107577 4.028753 4.573548 3.037270 3.481886 19 H 5.567262 4.395112 4.864378 3.282491 3.737059 20 H 4.702121 3.952326 5.165016 2.584894 2.163810 21 H 4.714796 4.417839 5.944506 3.219076 2.162912 22 C 4.969800 4.721319 6.247874 3.566690 2.515391 23 H 6.019474 5.692566 7.149783 4.456300 3.463024 24 H 4.900785 4.959492 6.622869 3.985118 2.742232 25 H 4.887676 4.548840 5.932477 3.491851 2.741616 11 12 13 14 15 11 C 0.000000 12 H 4.402034 0.000000 13 H 5.579613 2.376724 0.000000 14 H 4.433650 2.788023 1.756770 0.000000 15 H 3.301740 4.556967 5.902269 4.728057 0.000000 16 C 2.487771 3.819168 4.553405 3.976663 5.263481 17 H 1.030418 5.313816 6.406605 5.258311 4.135073 18 H 4.685880 2.983539 1.764144 1.764478 5.933815 19 H 5.059228 2.327906 2.757277 3.624585 6.425346 20 H 3.371899 3.268768 3.780968 3.583436 5.708894 21 H 2.788603 4.403265 5.439215 5.000454 5.726052 22 C 3.021568 5.023610 5.184466 4.341053 5.964178 23 H 4.028620 5.649662 5.647213 5.045741 7.025041 24 H 2.729656 5.713850 6.067853 5.031524 5.847432 25 H 3.322110 4.892476 4.639634 3.626278 5.829807 16 17 18 19 20 16 C 0.000000 17 H 2.705155 0.000000 18 H 3.244815 5.322958 0.000000 19 H 3.255843 5.678015 2.495991 0.000000 20 H 1.089901 3.746990 2.508908 2.243379 0.000000 21 H 1.089311 2.759759 4.218565 3.696674 1.779713 22 C 1.540504 2.906861 3.570488 4.345620 2.162798 23 H 2.163667 3.811102 3.950621 4.526893 2.488536 24 H 2.164576 2.286396 4.525495 5.287615 3.060490 25 H 2.163422 3.412229 2.995997 4.395430 2.488665 21 22 23 24 25 21 H 0.000000 22 C 2.162277 0.000000 23 H 2.488375 1.089805 0.000000 24 H 2.489378 1.090316 1.779880 0.000000 25 H 3.058844 1.089608 1.779234 1.779125 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 -1.169605 -1.408696 -0.278216 2 6 0 -1.690149 -1.883013 1.073906 3 8 0 -2.274396 -0.893271 -1.002008 4 8 0 2.753580 2.455789 0.070140 5 6 0 1.835969 1.633115 -0.015920 6 7 0 2.095956 0.280670 0.043392 7 6 0 1.166297 -0.743485 -0.034900 8 16 0 1.655215 -2.463099 0.050236 9 7 0 -0.131961 -0.342452 -0.189495 10 6 0 -0.487561 0.982114 -0.252526 11 6 0 0.433362 1.948195 -0.169866 12 1 0 -0.756471 -2.233865 -0.857304 13 1 0 -1.951397 -2.940929 1.071693 14 1 0 -0.968957 -1.726764 1.875967 15 1 0 3.081551 0.003574 0.157293 16 6 0 -1.970938 1.360715 -0.421283 17 1 0 0.206711 2.952348 -0.215337 18 1 0 -2.588294 -1.313150 1.310233 19 1 0 -2.992973 -1.648259 -1.129830 20 1 0 -2.574817 0.454709 -0.469966 21 1 0 -2.097863 1.932252 -1.339887 22 6 0 -2.422971 2.213754 0.779194 23 1 0 -3.472524 2.481969 0.660145 24 1 0 -1.819872 3.120672 0.829764 25 1 0 -2.296383 1.643168 1.698788 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7685200 0.7205622 0.4056280 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 939.1440053944 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 9.91D-04 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.008506685 A.U. after 16 cycles NFock= 16 Conv=0.26D-08 -V/T= 2.0015 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -91.90398 -20.61933 -20.53656 -15.67615 -15.65185 Alpha occ. eigenvalues -- -11.42097 -11.37431 -11.36847 -11.33291 -11.24796 Alpha occ. eigenvalues -- -11.23859 -11.23013 -11.22786 -8.91188 -6.59510 Alpha occ. eigenvalues -- -6.59187 -6.59120 -1.42926 -1.39656 -1.35087 Alpha occ. eigenvalues -- -1.25768 -1.12956 -1.04506 -1.03663 -0.98413 Alpha occ. eigenvalues -- -0.92545 -0.90863 -0.85002 -0.83679 -0.78534 Alpha occ. eigenvalues -- -0.77147 -0.71336 -0.69214 -0.67435 -0.66026 Alpha occ. eigenvalues -- -0.64164 -0.63366 -0.61952 -0.60365 -0.58336 Alpha occ. eigenvalues -- -0.57741 -0.55695 -0.54201 -0.53421 -0.52598 Alpha occ. eigenvalues -- -0.51394 -0.49857 -0.46404 -0.44485 -0.43044 Alpha occ. eigenvalues -- -0.37083 -0.33666 -0.32411 Alpha virt. eigenvalues -- 0.08628 0.11741 0.16508 0.19807 0.21642 Alpha virt. eigenvalues -- 0.24917 0.25145 0.26639 0.27034 0.28497 Alpha virt. eigenvalues -- 0.28629 0.30419 0.30730 0.31345 0.33388 Alpha virt. eigenvalues -- 0.35994 0.36401 0.37510 0.38855 0.39629 Alpha virt. eigenvalues -- 0.40795 0.42668 0.45063 0.47754 0.49201 Alpha virt. eigenvalues -- 0.51605 0.53693 0.57467 0.58560 0.60087 Alpha virt. eigenvalues -- 0.62053 0.65419 0.68594 0.69836 0.71147 Alpha virt. eigenvalues -- 0.73000 0.74090 0.75945 0.76241 0.79531 Alpha virt. eigenvalues -- 0.80305 0.81644 0.82952 0.84532 0.86609 Alpha virt. eigenvalues -- 0.87210 0.88376 0.91506 0.93138 0.93582 Alpha virt. eigenvalues -- 0.95881 0.98303 0.99505 0.99825 1.02611 Alpha virt. eigenvalues -- 1.03714 1.04052 1.07016 1.08350 1.09372 Alpha virt. eigenvalues -- 1.09922 1.11642 1.12731 1.13827 1.14538 Alpha virt. eigenvalues -- 1.15565 1.16423 1.18094 1.19658 1.20564 Alpha virt. eigenvalues -- 1.20994 1.21179 1.23111 1.24630 1.25779 Alpha virt. eigenvalues -- 1.27101 1.27996 1.28214 1.30965 1.32279 Alpha virt. eigenvalues -- 1.33596 1.37004 1.39307 1.43750 1.43984 Alpha virt. eigenvalues -- 1.46066 1.48418 1.55281 1.58090 1.60793 Alpha virt. eigenvalues -- 1.63892 1.64457 1.65311 1.70533 1.71377 Alpha virt. eigenvalues -- 1.73290 1.75118 1.79075 1.79326 1.82629 Alpha virt. eigenvalues -- 1.84221 1.91319 1.94888 1.97819 2.02095 Alpha virt. eigenvalues -- 2.03859 2.05962 2.07714 2.10112 2.10599 Alpha virt. eigenvalues -- 2.12288 2.16119 2.16588 2.19066 2.22026 Alpha virt. eigenvalues -- 2.23675 2.26368 2.28908 2.31115 2.31697 Alpha virt. eigenvalues -- 2.34829 2.36719 2.37678 2.40598 2.41765 Alpha virt. eigenvalues -- 2.44344 2.46164 2.47933 2.53272 2.54211 Alpha virt. eigenvalues -- 2.56364 2.58491 2.61002 2.61402 2.62289 Alpha virt. eigenvalues -- 2.66631 2.69517 2.70709 2.74398 2.78098 Alpha virt. eigenvalues -- 2.80679 2.84615 2.90619 2.93611 2.97069 Alpha virt. eigenvalues -- 2.98862 2.99845 3.01199 3.08322 3.09777 Alpha virt. eigenvalues -- 3.12903 3.23513 3.25702 3.32269 3.34693 Alpha virt. eigenvalues -- 3.55637 3.77113 4.28815 4.34794 4.39047 Alpha virt. eigenvalues -- 4.44846 4.51287 4.60397 4.64569 4.66185 Alpha virt. eigenvalues -- 4.71224 4.83934 4.93538 4.95107 5.12983 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.628449 0.351137 0.169262 0.000001 -0.000072 0.001842 2 C 0.351137 5.209400 -0.065796 -0.000000 0.000033 -0.000113 3 O 0.169262 -0.065796 8.682645 0.000000 0.000002 -0.000023 4 O 0.000001 -0.000000 0.000000 8.176766 0.600119 -0.090278 5 C -0.000072 0.000033 0.000002 0.600119 4.016030 0.210432 6 N 0.001842 -0.000113 -0.000023 -0.090278 0.210432 7.400528 7 C -0.034471 -0.002879 0.001878 0.002064 -0.017328 0.283351 8 S -0.013026 -0.005918 0.001237 -0.000085 0.000386 -0.070004 9 N 0.220373 -0.063735 -0.042635 0.000047 -0.012193 -0.070871 10 C -0.026592 0.001472 0.016174 0.004080 -0.036268 -0.004662 11 C 0.001730 -0.000217 -0.000190 -0.068547 0.429947 -0.109242 12 H 0.426925 -0.044948 -0.030607 -0.000000 -0.000015 0.000141 13 H -0.031235 0.386047 0.001948 0.000000 -0.000000 0.000002 14 H -0.031967 0.383774 0.003201 0.000000 0.000010 -0.000101 15 H -0.000027 0.000002 0.000000 0.005524 -0.007948 0.297079 16 C 0.001808 -0.001575 -0.157987 -0.000047 0.000978 -0.000265 17 H -0.000072 0.000001 0.000001 0.000572 -0.018811 0.004060 18 H -0.041029 0.382933 -0.001444 0.000000 -0.000002 0.000002 19 H -0.018277 -0.000836 0.239828 0.000000 -0.000000 0.000001 20 H -0.000578 -0.002034 -0.046433 0.000000 -0.000017 0.000007 21 H 0.000280 -0.000023 0.002214 0.000001 -0.000124 0.000007 22 C 0.000465 0.000222 0.003152 0.000000 0.000126 -0.000002 23 H 0.000000 -0.000002 0.000071 -0.000000 -0.000000 -0.000000 24 H -0.000012 0.000005 -0.000094 -0.000003 0.000154 -0.000003 25 H -0.000124 0.000045 0.000148 0.000000 -0.000044 -0.000002 7 8 9 10 11 12 1 C -0.034471 -0.013026 0.220373 -0.026592 0.001730 0.426925 2 C -0.002879 -0.005918 -0.063735 0.001472 -0.000217 -0.044948 3 O 0.001878 0.001237 -0.042635 0.016174 -0.000190 -0.030607 4 O 0.002064 -0.000085 0.000047 0.004080 -0.068547 -0.000000 5 C -0.017328 0.000386 -0.012193 -0.036268 0.429947 -0.000015 6 N 0.283351 -0.070004 -0.070871 -0.004662 -0.109242 0.000141 7 C 4.705064 0.354611 0.281631 -0.040648 -0.003167 -0.002920 8 S 0.354611 16.099934 -0.073525 0.000463 -0.000261 0.001045 9 N 0.281631 -0.073525 7.408791 0.239936 -0.048777 -0.040922 10 C -0.040648 0.000463 0.239936 4.715668 0.547944 0.002311 11 C -0.003167 -0.000261 -0.048777 0.547944 5.318713 0.000028 12 H -0.002920 0.001045 -0.040922 0.002311 0.000028 0.437130 13 H -0.000009 0.000147 0.003543 -0.000069 0.000002 -0.002699 14 H 0.000902 0.000025 -0.002034 0.000414 -0.000041 0.001391 15 H -0.019192 0.004793 0.002698 -0.000829 0.005386 0.000001 16 C 0.003027 -0.000063 -0.028130 0.293473 -0.044242 -0.000693 17 H -0.000080 0.000006 0.002876 -0.030129 0.387642 0.000002 18 H 0.000175 0.000345 0.000044 0.000620 0.000000 0.003287 19 H 0.000007 0.000052 0.004595 -0.000670 0.000009 -0.003343 20 H -0.000083 -0.000027 -0.001366 -0.044962 0.002863 0.000574 21 H -0.000100 0.000004 0.001234 -0.036747 -0.003671 0.000017 22 C -0.000164 0.000005 0.000917 -0.054969 -0.008365 -0.000004 23 H 0.000002 -0.000000 -0.000067 0.006130 0.000162 -0.000000 24 H 0.000010 -0.000000 0.000063 -0.006451 0.001814 -0.000000 25 H -0.000024 0.000000 0.000188 -0.003566 0.000558 0.000003 13 14 15 16 17 18 1 C -0.031235 -0.031967 -0.000027 0.001808 -0.000072 -0.041029 2 C 0.386047 0.383774 0.000002 -0.001575 0.000001 0.382933 3 O 0.001948 0.003201 0.000000 -0.157987 0.000001 -0.001444 4 O 0.000000 0.000000 0.005524 -0.000047 0.000572 0.000000 5 C -0.000000 0.000010 -0.007948 0.000978 -0.018811 -0.000002 6 N 0.000002 -0.000101 0.297079 -0.000265 0.004060 0.000002 7 C -0.000009 0.000902 -0.019192 0.003027 -0.000080 0.000175 8 S 0.000147 0.000025 0.004793 -0.000063 0.000006 0.000345 9 N 0.003543 -0.002034 0.002698 -0.028130 0.002876 0.000044 10 C -0.000069 0.000414 -0.000829 0.293473 -0.030129 0.000620 11 C 0.000002 -0.000041 0.005386 -0.044242 0.387642 0.000000 12 H -0.002699 0.001391 0.000001 -0.000693 0.000002 0.003287 13 H 0.495346 -0.018157 -0.000000 0.000027 -0.000000 -0.026683 14 H -0.018157 0.473219 0.000001 0.000152 0.000000 -0.021423 15 H -0.000000 0.000001 0.260600 0.000007 -0.000072 -0.000000 16 C 0.000027 0.000152 0.000007 5.336188 -0.002113 -0.002193 17 H -0.000000 0.000000 -0.000072 -0.002113 0.414265 0.000000 18 H -0.026683 -0.021423 -0.000000 -0.002193 0.000000 0.527487 19 H 0.000355 0.000067 -0.000000 0.007172 -0.000000 -0.000226 20 H 0.000050 0.000049 -0.000000 0.422895 0.000084 0.000868 21 H 0.000000 0.000002 -0.000000 0.395627 0.000250 0.000030 22 C -0.000000 -0.000064 -0.000000 0.305624 -0.000298 0.000234 23 H -0.000000 0.000000 0.000000 -0.038780 -0.000022 0.000006 24 H -0.000000 0.000000 -0.000000 -0.039120 0.000657 -0.000009 25 H 0.000003 0.000066 -0.000000 -0.041339 0.000003 0.000466 19 20 21 22 23 24 1 C -0.018277 -0.000578 0.000280 0.000465 0.000000 -0.000012 2 C -0.000836 -0.002034 -0.000023 0.000222 -0.000002 0.000005 3 O 0.239828 -0.046433 0.002214 0.003152 0.000071 -0.000094 4 O 0.000000 0.000000 0.000001 0.000000 -0.000000 -0.000003 5 C -0.000000 -0.000017 -0.000124 0.000126 -0.000000 0.000154 6 N 0.000001 0.000007 0.000007 -0.000002 -0.000000 -0.000003 7 C 0.000007 -0.000083 -0.000100 -0.000164 0.000002 0.000010 8 S 0.000052 -0.000027 0.000004 0.000005 -0.000000 -0.000000 9 N 0.004595 -0.001366 0.001234 0.000917 -0.000067 0.000063 10 C -0.000670 -0.044962 -0.036747 -0.054969 0.006130 -0.006451 11 C 0.000009 0.002863 -0.003671 -0.008365 0.000162 0.001814 12 H -0.003343 0.000574 0.000017 -0.000004 -0.000000 -0.000000 13 H 0.000355 0.000050 0.000000 -0.000000 -0.000000 -0.000000 14 H 0.000067 0.000049 0.000002 -0.000064 0.000000 0.000000 15 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 16 C 0.007172 0.422895 0.395627 0.305624 -0.038780 -0.039120 17 H -0.000000 0.000084 0.000250 -0.000298 -0.000022 0.000657 18 H -0.000226 0.000868 0.000030 0.000234 0.000006 -0.000009 19 H 0.309919 0.004802 -0.000162 -0.000202 -0.000001 0.000004 20 H 0.004802 0.393379 -0.014176 -0.033500 -0.003326 0.003144 21 H -0.000162 -0.014176 0.496523 -0.035472 -0.002094 -0.002552 22 C -0.000202 -0.033500 -0.035472 5.122093 0.393536 0.390520 23 H -0.000001 -0.003326 -0.002094 0.393536 0.526537 -0.025351 24 H 0.000004 0.003144 -0.002552 0.390520 -0.025351 0.538140 25 H -0.000007 -0.002093 0.003907 0.393021 -0.025063 -0.026131 25 1 C -0.000124 2 C 0.000045 3 O 0.000148 4 O 0.000000 5 C -0.000044 6 N -0.000002 7 C -0.000024 8 S 0.000000 9 N 0.000188 10 C -0.003566 11 C 0.000558 12 H 0.000003 13 H 0.000003 14 H 0.000066 15 H -0.000000 16 C -0.041339 17 H 0.000003 18 H 0.000466 19 H -0.000007 20 H -0.002093 21 H 0.003907 22 C 0.393021 23 H -0.025063 24 H -0.026131 25 H 0.540322 Mulliken charges: 1 1 C 0.395207 2 C -0.526993 3 O -0.776551 4 O -0.630214 5 C 0.834603 6 N -0.851887 7 C 0.488343 8 S -0.300144 9 N -0.782680 10 C 0.457879 11 C -0.410078 12 H 0.253297 13 H 0.191382 14 H 0.210515 15 H 0.451976 16 C -0.410430 17 H 0.241178 18 H 0.176509 19 H 0.456912 20 H 0.319883 21 H 0.195025 22 C -0.476875 23 H 0.168263 24 H 0.165215 25 H 0.159664 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.648505 2 C 0.051412 3 O -0.319639 4 O -0.630214 5 C 0.834603 6 N -0.399911 7 C 0.488343 8 S -0.300144 9 N -0.782680 10 C 0.457879 11 C -0.168899 16 C 0.104478 22 C 0.016267 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147353542 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= 1.37D+01 NSMCal= 3003 NSMKep= 2742 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 2742 NTPThr= 100 NPartT= 1 Incr= 27 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= 27. PRISM was handed 2147108094 working-precision words and 2742 shell-pairs IPart= 0 NShTot= 2742 NBatch= 57 AvBLen= 48.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 28. Electronic moments (au): -106.00000000 -2.79400035 -0.51372626 -0.10308373 -1327.53640144 -1239.52248096 -191.49724351 1.86904880 0.91538213 0.21774180 78.50259412 -46.26004286 -90.18271103 -700.80233468 -946.60998027 -113.62728482 463.11670187 98.88673295 -374.06616197 133.30780132 -27931.96248000 -25412.32977298 -1306.94062356 -1569.42992335 47.46026208 1859.90318147 -5.34410394 265.51145898 128.59634719 -17516.51608860 -2805.50617788 -2243.50433805 -969.37654587 1282.03661666 -134.24548176 Electronic spatial extent (au): = 2758.5561 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 106.00000000 0.00000000 0.00000000 0.00000000 1263.29265287 1167.60904511 126.86653762 0.00000000 -0.00000000 -0.00000000 -158.43844577 36.05935228 85.91146106 602.69332225 890.61323871 101.50170544 -468.84945599 -97.82934789 359.88682846 -139.49649645 23528.93602099 20842.22971006 632.62696125 1623.83159320 77.82886352 -1799.56360332 13.96821022 -227.56899435 -120.42231213 15782.45463942 1931.67419142 1378.47560628 1004.79812391 -1230.92034759 211.47259907 Total moments (au): -0.00000000 -2.79400035 -0.51372626 -0.10308373 -64.24374857 -71.91343585 -64.63070590 1.86904880 0.91538213 0.21774180 -79.93585164 -10.20069058 -4.27124998 -98.10901243 -55.99674156 -12.12557937 -5.73275412 1.05738506 -14.17933351 -6.18869513 -4403.02645901 -4570.10006293 -674.31366231 54.40166986 125.28912560 60.33957816 8.62410628 37.94246462 8.17403506 -1734.06144918 -873.83198646 -865.02873177 35.42157805 51.11626907 77.22711731 Traceless Quadrup. (au): 2.68554821 -4.98413908 2.29859087 1.86904880 0.91538213 0.21774180 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -7.1016 Y= -1.3058 Z= -0.2620 Tot= 7.2254 Quadrupole moment (field-independent basis, Debye-Ang): XX= -86.4100 YY= -96.7260 ZZ= -86.9305 XY= 2.5139 XZ= 1.2312 YZ= 0.2929 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.6122 YY= -6.7038 ZZ= 3.0917 XY= 2.5139 XZ= 1.2312 YZ= 0.2929 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -56.8953 YYY= -7.2605 ZZZ= -3.0401 XYY= -69.8302 XXY= -39.8563 XXZ= -8.6305 XZZ= -4.0804 YZZ= 0.7526 YYZ= -10.0923 XYZ= -4.4049 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1658.3909 YYYY= -1721.3188 ZZZZ= -253.9789 XXXY= 20.4903 XXXZ= 47.1899 YYYX= 22.7268 YYYZ= 3.2483 ZZZX= 14.2910 ZZZY= 3.0787 XXYY= -653.1307 XXZZ= -329.1270 YYZZ= -325.8113 XXYZ= 13.3415 YYXZ= 19.2528 ZZXY= 29.0874 N-N= 9.391440053944D+02 E-N=-4.154517869945D+03 KE= 9.645498462680D+02 Entering OneElI... OneElI was handed 2147377645 working-precision words. Calculate electrostatic properties NBasis = 223 MinDer = 0 MaxDer = 0 NGrid = 25 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.37D+01 NSMCal= 3003 NSMKep= 2546 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 63650 NTPThr= 100 NPartT= 12 Incr= 53 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= 53. PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs PRISM was handed 178853715 working-precision words and 2546 shell-pairs IPart= 0 NShTot= 6025 NBatch= 241 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 5225 NBatch= 209 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 5400 NBatch= 216 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 6 NShTot= 5325 NBatch= 213 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 4850 NBatch= 194 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 4750 NBatch= 190 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 4925 NBatch= 197 AvBLen= 25.0 IPart= 8 NShTot= 5075 NBatch= 203 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 5475 NBatch= 219 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 5500 NBatch= 220 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 5650 NBatch= 226 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 4 NShTot= 5450 NBatch= 218 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 637. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.241449 0.006653 0.234796 2 Atom 0.016236 0.028077 -0.044313 3 Atom -1.145459 -0.106298 1.251757 4 Atom 0.213305 0.441608 -0.654913 5 Atom 0.430434 0.079224 -0.509658 6 Atom -0.350009 -0.371952 0.721961 7 Atom 0.119361 0.416456 -0.535817 8 Atom 1.850417 -2.787022 0.936604 9 Atom -0.435579 -0.358628 0.794207 10 Atom 0.400082 0.019392 -0.419474 11 Atom -0.005704 0.110725 -0.105021 12 Atom 0.071400 -0.098675 0.027276 13 Atom 0.131898 -0.275945 0.144047 14 Atom -0.047505 0.144627 -0.097123 15 Atom -0.295692 0.105082 0.190611 16 Atom -0.163728 0.196116 -0.032388 17 Atom 0.159856 -0.388324 0.228468 18 Atom -0.153933 0.027799 0.126134 19 Atom -0.052556 -0.079058 0.131614 20 Atom -0.016753 -0.120819 0.137572 21 Atom 0.140104 0.033219 -0.173323 22 Atom 0.019046 0.002558 -0.021604 23 Atom -0.272951 0.127174 0.145777 24 Atom 0.013379 -0.163598 0.150218 25 Atom 0.150076 0.025127 -0.175203 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.133412 -0.295147 0.125523 2 Atom -0.015227 0.064034 0.012251 3 Atom -0.682278 -1.373652 0.270424 4 Atom -1.366782 0.114960 -0.176819 5 Atom 0.065537 0.100815 -0.004503 6 Atom -0.122254 -0.112212 0.016774 7 Atom -0.079128 0.082003 -0.029187 8 Atom 1.495730 0.037471 0.196748 9 Atom 0.026108 -0.129114 0.025973 10 Atom 0.147295 0.083732 0.006799 11 Atom 0.016238 0.013824 0.002787 12 Atom 0.107231 0.080095 -0.170616 13 Atom -0.109297 0.001555 -0.005924 14 Atom -0.050217 -0.216786 -0.043855 15 Atom 0.123729 -0.056735 0.015883 16 Atom 0.210901 -0.004233 0.010541 17 Atom 0.139212 -0.009206 0.027624 18 Atom 0.197585 0.082612 -0.046219 19 Atom -0.178395 -0.046187 -0.020294 20 Atom -0.158239 -0.004316 -0.010454 21 Atom 0.033475 -0.040759 0.203751 22 Atom 0.016108 0.016851 -0.024329 23 Atom 0.109602 -0.048291 0.009487 24 Atom -0.208960 -0.007601 -0.021090 25 Atom 0.031520 -0.042540 0.201441 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4871 2.340 0.835 0.780 0.6887 0.7231 0.0539 6 N(14) Bbb -0.2472 1.187 0.424 0.396 0.7173 -0.6903 0.0950 Bcc 0.7344 -3.527 -1.258 -1.176 -0.1059 0.0268 0.9940 Baa -0.4573 2.196 0.784 0.733 0.9544 -0.2798 0.1043 9 N(14) Bbb -0.3507 1.684 0.601 0.562 0.2804 0.9598 0.0098 Bcc 0.8081 -3.881 -1.385 -1.295 -0.1028 0.0198 0.9945 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 12:42:09 2024, MaxMem= 2147483648 cpu: 1.2 elap: 0.1 FitSet: NAtFit= 25 NAtPot= 25 NAtFrz= 0 MDM= 29 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 16 1.75 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 1 1.20 18 1 1.20 19 1 1.20 20 1 1.20 21 1 1.20 22 6 1.50 23 1 1.20 24 1 1.20 25 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 -1.169605 -1.408696 -0.278216 Atomic Center 2 is at -1.690149 -1.883013 1.073906 Atomic Center 3 is at -2.274396 -0.893271 -1.002008 Atomic Center 4 is at 2.753580 2.455789 0.070140 Atomic Center 5 is at 1.835969 1.633115 -0.015920 Atomic Center 6 is at 2.095956 0.280670 0.043392 Atomic Center 7 is at 1.166297 -0.743485 -0.034900 Atomic Center 8 is at 1.655215 -2.463099 0.050236 Atomic Center 9 is at -0.131961 -0.342452 -0.189495 Atomic Center 10 is at -0.487561 0.982114 -0.252526 Atomic Center 11 is at 0.433362 1.948195 -0.169866 Atomic Center 12 is at -0.756471 -2.233865 -0.857304 Atomic Center 13 is at -1.951397 -2.940929 1.071693 Atomic Center 14 is at -0.968957 -1.726764 1.875967 Atomic Center 15 is at 3.081551 0.003574 0.157293 Atomic Center 16 is at -1.970938 1.360715 -0.421283 Atomic Center 17 is at 0.206711 2.952348 -0.215337 Atomic Center 18 is at -2.588294 -1.313150 1.310233 Atomic Center 19 is at -2.992973 -1.648259 -1.129830 Atomic Center 20 is at -2.574817 0.454709 -0.469966 Atomic Center 21 is at -2.097863 1.932252 -1.339887 Atomic Center 22 is at -2.422971 2.213754 0.779194 Atomic Center 23 is at -3.472524 2.481969 0.660145 Atomic Center 24 is at -1.819872 3.120672 0.829764 Atomic Center 25 is at -2.296383 1.643168 1.698788 ESP Fit Center 26 is at -0.473637 -1.006879 -2.218363 ESP Fit Center 27 is at -0.759915 -1.408696 -2.337865 ESP Fit Center 28 is at -2.099839 -1.883013 3.133555 ESP Fit Center 29 is at -2.091967 -1.187044 3.014053 ESP Fit Center 30 is at -2.386118 -1.481195 3.014053 ESP Fit Center 31 is at -2.493784 -1.883013 3.014053 ESP Fit Center 32 is at -2.386118 -2.284831 3.014053 ESP Fit Center 33 is at -2.091967 -2.578981 3.014053 ESP Fit Center 34 is at -2.009431 -0.760853 2.819992 ESP Fit Center 35 is at -2.836981 -2.097393 2.819992 ESP Fit Center 36 is at -2.682095 -2.497200 2.819992 ESP Fit Center 37 is at -2.393241 -2.814058 2.819992 ESP Fit Center 38 is at -2.009431 -3.005172 2.819992 ESP Fit Center 39 is at -1.582500 -3.044733 2.819992 ESP Fit Center 40 is at -1.901476 -0.413203 2.558830 ESP Fit Center 41 is at -2.939347 -2.685824 2.558830 ESP Fit Center 42 is at -1.479682 -0.149658 2.240604 ESP Fit Center 43 is at -3.236232 -2.694460 2.240604 ESP Fit Center 44 is at -1.171105 -0.013584 1.877541 ESP Fit Center 45 is at -1.585112 0.054289 1.877541 ESP Fit Center 46 is at -0.434125 -3.361719 1.877541 ESP Fit Center 47 is at -1.378261 0.152885 1.483596 ESP Fit Center 48 is at -0.271119 -3.375832 1.483596 ESP Fit Center 49 is at -3.630296 -2.686648 1.073906 ESP Fit Center 50 is at -3.655341 -2.499596 0.664217 ESP Fit Center 51 is at -3.528736 -2.502505 0.270271 ESP Fit Center 52 is at -3.958421 -0.680529 -0.022008 ESP Fit Center 53 is at -4.091730 -0.478476 -0.396335 ESP Fit Center 54 is at -4.121621 -0.270868 -0.797132 ESP Fit Center 55 is at -4.121621 -0.270868 -1.206884 ESP Fit Center 56 is at -3.953865 -0.084481 -1.607682 ESP Fit Center 57 is at -3.356365 0.414606 -1.982008 ESP Fit Center 58 is at -3.647629 0.104441 -1.982008 ESP Fit Center 59 is at -3.852607 -0.268413 -1.982008 ESP Fit Center 60 is at -0.817832 -0.893271 -2.313504 ESP Fit Center 61 is at -0.876833 -0.482910 -2.313504 ESP Fit Center 62 is at -1.049056 -0.105793 -2.313504 ESP Fit Center 63 is at -1.320549 0.207526 -2.313504 ESP Fit Center 64 is at -1.669317 0.431666 -2.313504 ESP Fit Center 65 is at -2.481686 0.548467 -2.313504 ESP Fit Center 66 is at -2.879474 0.431666 -2.313504 ESP Fit Center 67 is at -3.228242 0.207526 -2.313504 ESP Fit Center 68 is at -3.499735 -0.105793 -2.313504 ESP Fit Center 69 is at -3.671959 -0.482910 -2.313504 ESP Fit Center 70 is at -1.669317 -2.218208 -2.313504 ESP Fit Center 71 is at -1.122337 -0.893271 -2.587682 ESP Fit Center 72 is at -1.200133 -0.477099 -2.587682 ESP Fit Center 73 is at -1.423014 -0.117134 -2.587682 ESP Fit Center 74 is at -1.760879 0.138010 -2.587682 ESP Fit Center 75 is at -2.168097 0.253874 -2.587682 ESP Fit Center 76 is at -2.589672 0.214809 -2.587682 ESP Fit Center 77 is at -2.968666 0.026092 -2.587682 ESP Fit Center 78 is at -3.253896 -0.286790 -2.587682 ESP Fit Center 79 is at -3.406839 -0.681581 -2.587682 ESP Fit Center 80 is at -2.168097 -2.040416 -2.587682 ESP Fit Center 81 is at -1.760879 -1.924552 -2.587682 ESP Fit Center 82 is at -1.423014 -1.669408 -2.587682 ESP Fit Center 83 is at -1.200133 -1.309443 -2.587682 ESP Fit Center 84 is at -1.477192 -0.893271 -2.792557 ESP Fit Center 85 is at -1.583997 -0.494669 -2.792557 ESP Fit Center 86 is at -1.875794 -0.202872 -2.792557 ESP Fit Center 87 is at -2.274396 -0.096067 -2.792557 ESP Fit Center 88 is at -2.672998 -0.202872 -2.792557 ESP Fit Center 89 is at -2.964794 -0.494669 -2.792557 ESP Fit Center 90 is at -3.071600 -0.893271 -2.792557 ESP Fit Center 91 is at -2.964794 -1.291873 -2.792557 ESP Fit Center 92 is at -2.672998 -1.583670 -2.792557 ESP Fit Center 93 is at -2.274396 -1.690475 -2.792557 ESP Fit Center 94 is at -1.875794 -1.583670 -2.792557 ESP Fit Center 95 is at -1.583997 -1.291873 -2.792557 ESP Fit Center 96 is at -1.866889 -0.893271 -2.919178 ESP Fit Center 97 is at -2.070642 -0.540360 -2.919178 ESP Fit Center 98 is at -2.478149 -0.540360 -2.919178 ESP Fit Center 99 is at -2.681903 -0.893271 -2.919178 ESP Fit Center 100 is at -2.478149 -1.246182 -2.919178 ESP Fit Center 101 is at -2.070642 -1.246182 -2.919178 ESP Fit Center 102 is at -2.274396 -0.893271 -2.962008 ESP Fit Center 103 is at 2.753580 2.455789 2.030140 ESP Fit Center 104 is at 3.161087 2.455789 1.987309 ESP Fit Center 105 is at 2.957333 2.808701 1.987309 ESP Fit Center 106 is at 2.549826 2.808701 1.987309 ESP Fit Center 107 is at 2.346073 2.455789 1.987309 ESP Fit Center 108 is at 2.549826 2.102878 1.987309 ESP Fit Center 109 is at 2.957333 2.102878 1.987309 ESP Fit Center 110 is at 3.550784 2.455789 1.860689 ESP Fit Center 111 is at 3.443979 2.854391 1.860689 ESP Fit Center 112 is at 3.152182 3.146188 1.860689 ESP Fit Center 113 is at 2.753580 3.252993 1.860689 ESP Fit Center 114 is at 2.354978 3.146188 1.860689 ESP Fit Center 115 is at 2.063181 2.854391 1.860689 ESP Fit Center 116 is at 3.152182 1.765391 1.860689 ESP Fit Center 117 is at 3.443979 2.057188 1.860689 ESP Fit Center 118 is at 3.905639 2.455789 1.655813 ESP Fit Center 119 is at 3.827843 2.871961 1.655813 ESP Fit Center 120 is at 3.604962 3.231927 1.655813 ESP Fit Center 121 is at 3.267097 3.487070 1.655813 ESP Fit Center 122 is at 2.859878 3.602934 1.655813 ESP Fit Center 123 is at 2.438304 3.563869 1.655813 ESP Fit Center 124 is at 2.059309 3.375152 1.655813 ESP Fit Center 125 is at 1.774079 3.062270 1.655813 ESP Fit Center 126 is at 3.267097 1.424508 1.655813 ESP Fit Center 127 is at 3.604962 1.679652 1.655813 ESP Fit Center 128 is at 3.827843 2.039618 1.655813 ESP Fit Center 129 is at 4.210144 2.455789 1.381636 ESP Fit Center 130 is at 4.151143 2.866151 1.381636 ESP Fit Center 131 is at 3.978919 3.243267 1.381636 ESP Fit Center 132 is at 3.707426 3.556587 1.381636 ESP Fit Center 133 is at 3.358658 3.780727 1.381636 ESP Fit Center 134 is at 2.960871 3.897528 1.381636 ESP Fit Center 135 is at 2.546289 3.897528 1.381636 ESP Fit Center 136 is at 2.148501 3.780727 1.381636 ESP Fit Center 137 is at 1.799733 3.556587 1.381636 ESP Fit Center 138 is at 1.528240 3.243267 1.381636 ESP Fit Center 139 is at 3.707426 1.354992 1.381636 ESP Fit Center 140 is at 3.978919 1.668312 1.381636 ESP Fit Center 141 is at 4.151143 2.045428 1.381636 ESP Fit Center 142 is at 4.450990 2.455789 1.050140 ESP Fit Center 143 is at 4.397662 2.877918 1.050140 ESP Fit Center 144 is at 4.241031 3.273523 1.050140 ESP Fit Center 145 is at 3.990938 3.617746 1.050140 ESP Fit Center 146 is at 3.663098 3.888960 1.050140 ESP Fit Center 147 is at 3.278108 4.070122 1.050140 ESP Fit Center 148 is at 2.860161 4.149850 1.050140 ESP Fit Center 149 is at 2.435517 4.123133 1.050140 ESP Fit Center 150 is at 2.030858 3.991652 1.050140 ESP Fit Center 151 is at 1.671610 3.763666 1.050140 ESP Fit Center 152 is at 1.380346 3.453502 1.050140 ESP Fit Center 153 is at 3.990938 1.293832 1.050140 ESP Fit Center 154 is at 4.241031 1.638056 1.050140 ESP Fit Center 155 is at 4.397662 2.033661 1.050140 ESP Fit Center 156 is at 4.617651 2.455789 0.675813 ESP Fit Center 157 is at 4.570914 2.870584 0.675813 ESP Fit Center 158 is at 4.433050 3.264579 0.675813 ESP Fit Center 159 is at 4.210969 3.618019 0.675813 ESP Fit Center 160 is at 3.915809 3.913179 0.675813 ESP Fit Center 161 is at 3.562370 4.135259 0.675813 ESP Fit Center 162 is at 3.168375 4.273124 0.675813 ESP Fit Center 163 is at 2.753580 4.319860 0.675813 ESP Fit Center 164 is at 2.338785 4.273124 0.675813 ESP Fit Center 165 is at 1.944790 4.135259 0.675813 ESP Fit Center 166 is at 1.591351 3.913179 0.675813 ESP Fit Center 167 is at 4.210969 1.293560 0.675813 ESP Fit Center 168 is at 4.433050 1.646999 0.675813 ESP Fit Center 169 is at 4.570914 2.040995 0.675813 ESP Fit Center 170 is at 4.702843 2.455789 0.275016 ESP Fit Center 171 is at 4.657270 2.874823 0.275016 ESP Fit Center 172 is at 4.522683 3.274264 0.275016 ESP Fit Center 173 is at 4.305375 3.635433 0.275016 ESP Fit Center 174 is at 4.015506 3.941444 0.275016 ESP Fit Center 175 is at 3.666631 4.177987 0.275016 ESP Fit Center 176 is at 3.275063 4.334002 0.275016 ESP Fit Center 177 is at 2.859111 4.402194 0.275016 ESP Fit Center 178 is at 2.438224 4.379374 0.275016 ESP Fit Center 179 is at 2.032083 4.266609 0.275016 ESP Fit Center 180 is at 1.659679 4.069173 0.275016 ESP Fit Center 181 is at 4.305375 1.276146 0.275016 ESP Fit Center 182 is at 4.522683 1.637315 0.275016 ESP Fit Center 183 is at 4.657270 2.036756 0.275016 ESP Fit Center 184 is at 4.702843 2.455789 -0.134736 ESP Fit Center 185 is at 4.657270 2.874823 -0.134736 ESP Fit Center 186 is at 4.522683 3.274264 -0.134736 ESP Fit Center 187 is at 4.305375 3.635433 -0.134736 ESP Fit Center 188 is at 4.015506 3.941444 -0.134736 ESP Fit Center 189 is at 3.666631 4.177987 -0.134736 ESP Fit Center 190 is at 3.275063 4.334002 -0.134736 ESP Fit Center 191 is at 2.859111 4.402194 -0.134736 ESP Fit Center 192 is at 2.438224 4.379374 -0.134736 ESP Fit Center 193 is at 2.032083 4.266609 -0.134736 ESP Fit Center 194 is at 1.659679 4.069173 -0.134736 ESP Fit Center 195 is at 4.305375 1.276146 -0.134736 ESP Fit Center 196 is at 4.522683 1.637315 -0.134736 ESP Fit Center 197 is at 4.657270 2.036756 -0.134736 ESP Fit Center 198 is at 4.617651 2.455789 -0.535533 ESP Fit Center 199 is at 4.570914 2.870584 -0.535533 ESP Fit Center 200 is at 4.433050 3.264579 -0.535533 ESP Fit Center 201 is at 4.210969 3.618019 -0.535533 ESP Fit Center 202 is at 3.915809 3.913179 -0.535533 ESP Fit Center 203 is at 3.562370 4.135259 -0.535533 ESP Fit Center 204 is at 3.168375 4.273124 -0.535533 ESP Fit Center 205 is at 2.753580 4.319860 -0.535533 ESP Fit Center 206 is at 2.338785 4.273124 -0.535533 ESP Fit Center 207 is at 1.944790 4.135259 -0.535533 ESP Fit Center 208 is at 1.591351 3.913179 -0.535533 ESP Fit Center 209 is at 4.210969 1.293560 -0.535533 ESP Fit Center 210 is at 4.433050 1.646999 -0.535533 ESP Fit Center 211 is at 4.570914 2.040995 -0.535533 ESP Fit Center 212 is at 4.450990 2.455789 -0.909860 ESP Fit Center 213 is at 4.397662 2.877918 -0.909860 ESP Fit Center 214 is at 4.241031 3.273523 -0.909860 ESP Fit Center 215 is at 3.990938 3.617746 -0.909860 ESP Fit Center 216 is at 3.663098 3.888960 -0.909860 ESP Fit Center 217 is at 3.278108 4.070122 -0.909860 ESP Fit Center 218 is at 2.860161 4.149850 -0.909860 ESP Fit Center 219 is at 2.435517 4.123133 -0.909860 ESP Fit Center 220 is at 2.030858 3.991652 -0.909860 ESP Fit Center 221 is at 1.671610 3.763666 -0.909860 ESP Fit Center 222 is at 3.990938 1.293832 -0.909860 ESP Fit Center 223 is at 4.241031 1.638056 -0.909860 ESP Fit Center 224 is at 4.397662 2.033661 -0.909860 ESP Fit Center 225 is at 4.210144 2.455789 -1.241356 ESP Fit Center 226 is at 4.151143 2.866151 -1.241356 ESP Fit Center 227 is at 3.978919 3.243267 -1.241356 ESP Fit Center 228 is at 3.707426 3.556587 -1.241356 ESP Fit Center 229 is at 3.358658 3.780727 -1.241356 ESP Fit Center 230 is at 2.960871 3.897528 -1.241356 ESP Fit Center 231 is at 2.546289 3.897528 -1.241356 ESP Fit Center 232 is at 2.148501 3.780727 -1.241356 ESP Fit Center 233 is at 1.799733 3.556587 -1.241356 ESP Fit Center 234 is at 3.707426 1.354992 -1.241356 ESP Fit Center 235 is at 3.978919 1.668312 -1.241356 ESP Fit Center 236 is at 4.151143 2.045428 -1.241356 ESP Fit Center 237 is at 3.905639 2.455789 -1.515533 ESP Fit Center 238 is at 3.827843 2.871961 -1.515533 ESP Fit Center 239 is at 3.604962 3.231927 -1.515533 ESP Fit Center 240 is at 3.267097 3.487070 -1.515533 ESP Fit Center 241 is at 2.859878 3.602934 -1.515533 ESP Fit Center 242 is at 2.438304 3.563869 -1.515533 ESP Fit Center 243 is at 2.059309 3.375152 -1.515533 ESP Fit Center 244 is at 3.604962 1.679652 -1.515533 ESP Fit Center 245 is at 3.827843 2.039618 -1.515533 ESP Fit Center 246 is at 3.550784 2.455789 -1.720409 ESP Fit Center 247 is at 3.443979 2.854391 -1.720409 ESP Fit Center 248 is at 3.152182 3.146188 -1.720409 ESP Fit Center 249 is at 2.753580 3.252993 -1.720409 ESP Fit Center 250 is at 2.354978 3.146188 -1.720409 ESP Fit Center 251 is at 2.063181 2.854391 -1.720409 ESP Fit Center 252 is at 3.152182 1.765391 -1.720409 ESP Fit Center 253 is at 3.443979 2.057188 -1.720409 ESP Fit Center 254 is at 3.161087 2.455789 -1.847029 ESP Fit Center 255 is at 2.957333 2.808701 -1.847029 ESP Fit Center 256 is at 2.549826 2.808701 -1.847029 ESP Fit Center 257 is at 2.957333 2.102878 -1.847029 ESP Fit Center 258 is at 2.753580 2.455789 -1.889860 ESP Fit Center 259 is at 1.835969 1.633115 2.084080 ESP Fit Center 260 is at 2.245659 1.633115 2.043729 ESP Fit Center 261 is at 2.040814 1.987916 2.043729 ESP Fit Center 262 is at 1.631124 1.987916 2.043729 ESP Fit Center 263 is at 1.426279 1.633115 2.043729 ESP Fit Center 264 is at 1.631124 1.278313 2.043729 ESP Fit Center 265 is at 2.040814 1.278313 2.043729 ESP Fit Center 266 is at 2.639604 1.633115 1.924227 ESP Fit Center 267 is at 1.835969 2.436750 1.924227 ESP Fit Center 268 is at 1.434151 2.329083 1.924227 ESP Fit Center 269 is at 1.140000 2.034932 1.924227 ESP Fit Center 270 is at 1.032334 1.633115 1.924227 ESP Fit Center 271 is at 1.140000 1.231297 1.924227 ESP Fit Center 272 is at 2.531937 1.231297 1.924227 ESP Fit Center 273 is at 1.516687 2.755274 1.730166 ESP Fit Center 274 is at 1.132877 2.564159 1.730166 ESP Fit Center 275 is at 0.844023 1.018928 1.730166 ESP Fit Center 276 is at 1.624642 3.102925 -1.500844 ESP Fit Center 277 is at 3.260743 1.214763 -1.500844 ESP Fit Center 278 is at 3.002666 1.633115 -1.762006 ESP Fit Center 279 is at 1.943618 2.794835 -1.762006 ESP Fit Center 280 is at 2.923882 1.211655 -1.762006 ESP Fit Center 281 is at 2.639604 1.633115 -1.956067 ESP Fit Center 282 is at 2.531937 2.034932 -1.956067 ESP Fit Center 283 is at 2.237786 2.329083 -1.956067 ESP Fit Center 284 is at 1.835969 2.436750 -1.956067 ESP Fit Center 285 is at 1.434151 0.937146 -1.956067 ESP Fit Center 286 is at 2.237786 0.937146 -1.956067 ESP Fit Center 287 is at 2.531937 1.231297 -1.956067 ESP Fit Center 288 is at 2.245659 1.633115 -2.075569 ESP Fit Center 289 is at 2.040814 1.987916 -2.075569 ESP Fit Center 290 is at 1.631124 1.987916 -2.075569 ESP Fit Center 291 is at 1.426279 1.633115 -2.075569 ESP Fit Center 292 is at 1.631124 1.278313 -2.075569 ESP Fit Center 293 is at 2.040814 1.278313 -2.075569 ESP Fit Center 294 is at 1.835969 1.633115 -2.115920 ESP Fit Center 295 is at 2.095956 0.280670 2.143392 ESP Fit Center 296 is at 2.505645 0.280670 2.103041 ESP Fit Center 297 is at 2.300800 0.635472 2.103041 ESP Fit Center 298 is at 1.891111 0.635472 2.103041 ESP Fit Center 299 is at 1.686266 0.280670 2.103041 ESP Fit Center 300 is at 1.891111 -0.074131 2.103041 ESP Fit Center 301 is at 2.300800 -0.074131 2.103041 ESP Fit Center 302 is at 2.899591 0.280670 1.983539 ESP Fit Center 303 is at 2.791924 0.682488 1.983539 ESP Fit Center 304 is at 2.497773 0.976639 1.983539 ESP Fit Center 305 is at 1.694138 0.976639 1.983539 ESP Fit Center 306 is at 1.399987 0.682488 1.983539 ESP Fit Center 307 is at 1.292320 0.280670 1.983539 ESP Fit Center 308 is at 1.399987 -0.121147 1.983539 ESP Fit Center 309 is at 1.694138 -0.415298 1.983539 ESP Fit Center 310 is at 2.095956 -0.522965 1.983539 ESP Fit Center 311 is at 2.497773 -0.415298 1.983539 ESP Fit Center 312 is at 2.791924 -0.121147 1.983539 ESP Fit Center 313 is at 3.183869 0.702130 1.789478 ESP Fit Center 314 is at 2.958155 1.066669 1.789478 ESP Fit Center 315 is at 0.949123 0.495050 1.789478 ESP Fit Center 316 is at 2.615997 -0.763715 1.789478 ESP Fit Center 317 is at 2.958155 -0.505329 1.789478 ESP Fit Center 318 is at 3.345153 1.083481 1.528316 ESP Fit Center 319 is at 0.671181 0.699022 1.528316 ESP Fit Center 320 is at 3.642038 1.092117 -1.123306 ESP Fit Center 321 is at 3.580880 0.280670 -1.441532 ESP Fit Center 322 is at 3.520730 0.699022 -1.441532 ESP Fit Center 323 is at 3.345153 1.083481 -1.441532 ESP Fit Center 324 is at 3.068374 -0.841561 -1.441532 ESP Fit Center 325 is at 3.345153 -0.522140 -1.441532 ESP Fit Center 326 is at 3.262653 0.280670 -1.702694 ESP Fit Center 327 is at 3.183869 0.702130 -1.702694 ESP Fit Center 328 is at 2.958155 1.066669 -1.702694 ESP Fit Center 329 is at 2.615997 -0.763715 -1.702694 ESP Fit Center 330 is at 2.958155 -0.505329 -1.702694 ESP Fit Center 331 is at 3.183869 -0.140790 -1.702694 ESP Fit Center 332 is at 2.899591 0.280670 -1.896755 ESP Fit Center 333 is at 2.791924 0.682488 -1.896755 ESP Fit Center 334 is at 1.399987 0.682488 -1.896755 ESP Fit Center 335 is at 1.292320 0.280670 -1.896755 ESP Fit Center 336 is at 2.497773 -0.415298 -1.896755 ESP Fit Center 337 is at 2.791924 -0.121147 -1.896755 ESP Fit Center 338 is at 2.505645 0.280670 -2.016257 ESP Fit Center 339 is at 2.300800 0.635472 -2.016257 ESP Fit Center 340 is at 1.891111 0.635472 -2.016257 ESP Fit Center 341 is at 1.686266 0.280670 -2.016257 ESP Fit Center 342 is at 1.891111 -0.074131 -2.016257 ESP Fit Center 343 is at 2.300800 -0.074131 -2.016257 ESP Fit Center 344 is at 2.095956 0.280670 -2.056608 ESP Fit Center 345 is at 1.166297 -0.743485 2.065100 ESP Fit Center 346 is at 1.575986 -0.743485 2.024749 ESP Fit Center 347 is at 1.371141 -0.388684 2.024749 ESP Fit Center 348 is at 0.961452 -0.388684 2.024749 ESP Fit Center 349 is at 0.756607 -0.743485 2.024749 ESP Fit Center 350 is at 0.961452 -1.098287 2.024749 ESP Fit Center 351 is at 1.969932 -0.743485 1.905247 ESP Fit Center 352 is at 0.764479 -0.047517 1.905247 ESP Fit Center 353 is at 0.470328 -0.341668 1.905247 ESP Fit Center 354 is at 2.332994 -0.743485 -1.780986 ESP Fit Center 355 is at 1.969932 -0.743485 -1.975047 ESP Fit Center 356 is at 1.862265 -0.341668 -1.975047 ESP Fit Center 357 is at 1.568114 -0.047517 -1.975047 ESP Fit Center 358 is at 1.166297 0.060150 -1.975047 ESP Fit Center 359 is at 1.575986 -0.743485 -2.094549 ESP Fit Center 360 is at 1.371141 -0.388684 -2.094549 ESP Fit Center 361 is at 0.961452 -0.388684 -2.094549 ESP Fit Center 362 is at 0.756607 -0.743485 -2.094549 ESP Fit Center 363 is at 0.961452 -1.098287 -2.094549 ESP Fit Center 364 is at 1.371141 -1.098287 -2.094549 ESP Fit Center 365 is at 1.166297 -0.743485 -2.134900 ESP Fit Center 366 is at 1.655215 -2.463099 2.500236 ESP Fit Center 367 is at 2.080653 -2.463099 2.463015 ESP Fit Center 368 is at 1.867934 -2.094659 2.463015 ESP Fit Center 369 is at 1.442496 -2.094659 2.463015 ESP Fit Center 370 is at 1.229777 -2.463099 2.463015 ESP Fit Center 371 is at 1.442496 -2.831539 2.463015 ESP Fit Center 372 is at 1.867934 -2.831539 2.463015 ESP Fit Center 373 is at 2.493164 -2.463099 2.352483 ESP Fit Center 374 is at 2.380901 -2.044124 2.352483 ESP Fit Center 375 is at 2.074190 -1.737414 2.352483 ESP Fit Center 376 is at 1.655215 -1.625150 2.352483 ESP Fit Center 377 is at 1.236240 -1.737414 2.352483 ESP Fit Center 378 is at 0.929530 -2.044124 2.352483 ESP Fit Center 379 is at 0.817266 -2.463099 2.352483 ESP Fit Center 380 is at 0.929530 -2.882074 2.352483 ESP Fit Center 381 is at 1.236240 -3.188785 2.352483 ESP Fit Center 382 is at 1.655215 -3.301048 2.352483 ESP Fit Center 383 is at 2.074190 -3.188785 2.352483 ESP Fit Center 384 is at 2.380901 -2.882074 2.352483 ESP Fit Center 385 is at 2.880215 -2.463099 2.171998 ESP Fit Center 386 is at 2.806339 -2.044124 2.171998 ESP Fit Center 387 is at 2.593620 -1.675684 2.171998 ESP Fit Center 388 is at 2.267715 -1.402218 2.171998 ESP Fit Center 389 is at 1.867934 -1.256710 2.171998 ESP Fit Center 390 is at 1.442496 -1.256710 2.171998 ESP Fit Center 391 is at 1.042715 -1.402218 2.171998 ESP Fit Center 392 is at 0.716811 -1.675684 2.171998 ESP Fit Center 393 is at 0.504092 -2.882074 2.171998 ESP Fit Center 394 is at 0.716811 -3.250514 2.171998 ESP Fit Center 395 is at 1.042715 -3.523980 2.171998 ESP Fit Center 396 is at 1.442496 -3.669489 2.171998 ESP Fit Center 397 is at 1.867934 -3.669489 2.171998 ESP Fit Center 398 is at 2.267715 -3.523980 2.171998 ESP Fit Center 399 is at 2.593620 -3.250514 2.171998 ESP Fit Center 400 is at 2.806339 -2.882074 2.171998 ESP Fit Center 401 is at 3.230045 -2.463099 1.927045 ESP Fit Center 402 is at 3.171646 -2.038215 1.927045 ESP Fit Center 403 is at 3.000780 -1.644843 1.927045 ESP Fit Center 404 is at 2.730120 -1.312157 1.927045 ESP Fit Center 405 is at 2.379739 -1.064831 1.927045 ESP Fit Center 406 is at 1.975624 -0.921208 1.927045 ESP Fit Center 407 is at 0.210764 -3.090513 1.927045 ESP Fit Center 408 is at 0.433602 -3.456955 1.927045 ESP Fit Center 409 is at 0.747042 -3.749688 1.927045 ESP Fit Center 410 is at 1.127837 -3.947000 1.927045 ESP Fit Center 411 is at 1.547745 -4.034257 1.927045 ESP Fit Center 412 is at 1.975624 -4.004990 1.927045 ESP Fit Center 413 is at 2.379739 -3.861367 1.927045 ESP Fit Center 414 is at 2.730120 -3.614041 1.927045 ESP Fit Center 415 is at 3.000780 -3.281355 1.927045 ESP Fit Center 416 is at 3.171646 -2.887983 1.927045 ESP Fit Center 417 is at 3.532024 -2.463099 1.625066 ESP Fit Center 418 is at 3.484968 -2.045470 1.625066 ESP Fit Center 419 is at 3.346161 -1.648782 1.625066 ESP Fit Center 420 is at 3.122563 -1.292928 1.625066 ESP Fit Center 421 is at 2.825386 -0.995751 1.625066 ESP Fit Center 422 is at -0.035731 -3.277416 1.625066 ESP Fit Center 423 is at 0.187867 -3.633270 1.625066 ESP Fit Center 424 is at 0.485044 -3.930447 1.625066 ESP Fit Center 425 is at 0.840898 -4.154046 1.625066 ESP Fit Center 426 is at 1.237586 -4.292852 1.625066 ESP Fit Center 427 is at 1.655215 -4.339908 1.625066 ESP Fit Center 428 is at 2.072844 -4.292852 1.625066 ESP Fit Center 429 is at 2.469532 -4.154046 1.625066 ESP Fit Center 430 is at 2.825386 -3.930447 1.625066 ESP Fit Center 431 is at 3.122563 -3.633270 1.625066 ESP Fit Center 432 is at 3.346161 -3.277416 1.625066 ESP Fit Center 433 is at 3.484968 -2.880728 1.625066 ESP Fit Center 434 is at 3.776977 -2.463099 1.275236 ESP Fit Center 435 is at 3.736208 -2.049164 1.275236 ESP Fit Center 436 is at 3.615468 -1.651136 1.275236 ESP Fit Center 437 is at 3.419396 -1.284311 1.275236 ESP Fit Center 438 is at -0.108966 -3.641887 1.275236 ESP Fit Center 439 is at 0.154903 -3.963412 1.275236 ESP Fit Center 440 is at 0.476427 -4.227280 1.275236 ESP Fit Center 441 is at 0.843252 -4.423352 1.275236 ESP Fit Center 442 is at 1.241280 -4.544092 1.275236 ESP Fit Center 443 is at 1.655215 -4.584861 1.275236 ESP Fit Center 444 is at 2.069150 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3.042629 -4.300332 0.888186 ESP Fit Center 464 is at 3.356596 -4.014113 0.888186 ESP Fit Center 465 is at 3.612625 -3.675076 0.888186 ESP Fit Center 466 is at 3.801996 -3.294767 0.888186 ESP Fit Center 467 is at 3.918262 -2.886136 0.888186 ESP Fit Center 468 is at 4.067994 -2.463099 0.475674 ESP Fit Center 469 is at 4.031339 -2.044124 0.475674 ESP Fit Center 470 is at 3.922486 -1.637880 0.475674 ESP Fit Center 471 is at -0.434313 -3.669489 0.475674 ESP Fit Center 472 is at -0.193081 -4.014004 0.475674 ESP Fit Center 473 is at 0.104311 -4.311395 0.475674 ESP Fit Center 474 is at 0.448826 -4.552627 0.475674 ESP Fit Center 475 is at 0.829996 -4.730370 0.475674 ESP Fit Center 476 is at 1.236240 -4.839223 0.475674 ESP Fit Center 477 is at 1.655215 -4.875878 0.475674 ESP Fit Center 478 is at 2.074190 -4.839223 0.475674 ESP Fit Center 479 is at 2.480434 -4.730370 0.475674 ESP Fit Center 480 is at 2.861605 -4.552627 0.475674 ESP Fit Center 481 is at 3.206120 -4.311395 0.475674 ESP Fit Center 482 is at 3.503511 -4.014004 0.475674 ESP Fit Center 483 is at 3.744743 -3.669489 0.475674 ESP Fit Center 484 is at 3.922486 -3.288318 0.475674 ESP Fit Center 485 is at 4.031339 -2.882074 0.475674 ESP Fit Center 486 is at 4.105215 -2.463099 0.050236 ESP Fit Center 487 is at 4.069974 -2.049047 0.050236 ESP Fit Center 488 is at 3.965265 -1.646907 0.050236 ESP Fit Center 489 is at -0.374634 -3.835037 0.050236 ESP Fit Center 490 is at -0.113577 -4.158349 0.050236 ESP Fit Center 491 is at 0.198364 -4.432892 0.050236 ESP Fit Center 492 is at 0.552216 -4.650767 0.050236 ESP Fit Center 493 is at 0.937799 -4.805708 0.050236 ESP Fit Center 494 is at 1.344021 -4.893255 0.050236 ESP Fit Center 495 is at 1.759196 -4.910892 0.050236 ESP Fit Center 496 is at 2.171379 -4.858109 0.050236 ESP Fit Center 497 is at 2.568713 -4.736427 0.050236 ESP Fit Center 498 is at 2.939768 -4.549346 0.050236 ESP Fit Center 499 is at 3.273868 -4.302246 0.050236 ESP Fit Center 500 is at 3.561403 -4.002238 0.050236 ESP Fit Center 501 is at 3.794100 -3.657952 0.050236 ESP Fit Center 502 is at 3.965265 -3.279292 0.050236 ESP Fit Center 503 is at 4.069974 -2.877151 0.050236 ESP Fit Center 504 is at 4.067994 -2.463099 -0.375202 ESP Fit Center 505 is at 4.031339 -2.044124 -0.375202 ESP Fit Center 506 is at 3.922486 -1.637880 -0.375202 ESP Fit Center 507 is at -0.193081 -4.014004 -0.375202 ESP Fit Center 508 is at 0.104311 -4.311395 -0.375202 ESP Fit Center 509 is at 0.448826 -4.552627 -0.375202 ESP Fit Center 510 is at 0.829996 -4.730370 -0.375202 ESP Fit Center 511 is at 1.236240 -4.839223 -0.375202 ESP Fit Center 512 is at 1.655215 -4.875878 -0.375202 ESP Fit Center 513 is at 2.074190 -4.839223 -0.375202 ESP Fit Center 514 is at 2.480434 -4.730370 -0.375202 ESP Fit Center 515 is at 2.861605 -4.552627 -0.375202 ESP Fit Center 516 is at 3.206120 -4.311395 -0.375202 ESP Fit Center 517 is at 3.503511 -4.014004 -0.375202 ESP Fit Center 518 is at 3.744743 -3.669489 -0.375202 ESP Fit Center 519 is at 3.922486 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Center 538 is at 3.736208 -2.049164 -1.174764 ESP Fit Center 539 is at 3.615468 -1.651136 -1.174764 ESP Fit Center 540 is at 3.419396 -1.284311 -1.174764 ESP Fit Center 541 is at 0.154903 -3.963412 -1.174764 ESP Fit Center 542 is at 0.476427 -4.227280 -1.174764 ESP Fit Center 543 is at 0.843252 -4.423352 -1.174764 ESP Fit Center 544 is at 1.241280 -4.544092 -1.174764 ESP Fit Center 545 is at 1.655215 -4.584861 -1.174764 ESP Fit Center 546 is at 2.069150 -4.544092 -1.174764 ESP Fit Center 547 is at 2.467178 -4.423352 -1.174764 ESP Fit Center 548 is at 2.834003 -4.227280 -1.174764 ESP Fit Center 549 is at 3.155528 -3.963412 -1.174764 ESP Fit Center 550 is at 3.419396 -3.641887 -1.174764 ESP Fit Center 551 is at 3.615468 -3.275062 -1.174764 ESP Fit Center 552 is at 3.736208 -2.877034 -1.174764 ESP Fit Center 553 is at 3.532024 -2.463099 -1.524593 ESP Fit Center 554 is at 3.484968 -2.045470 -1.524593 ESP Fit Center 555 is at 3.346161 -1.648782 -1.524593 ESP Fit Center 556 is at 3.122563 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Center 853 is at -0.241496 -2.146764 3.330890 ESP Fit Center 854 is at 0.218982 -1.726764 3.063907 ESP Fit Center 855 is at 0.138763 -1.297630 3.063907 ESP Fit Center 856 is at -0.091060 -0.926454 3.063907 ESP Fit Center 857 is at -0.439447 -0.663364 3.063907 ESP Fit Center 858 is at -0.859348 -0.543892 3.063907 ESP Fit Center 859 is at -1.294052 -0.584173 3.063907 ESP Fit Center 860 is at -1.684851 -0.778767 3.063907 ESP Fit Center 861 is at -1.978964 -1.101394 3.063907 ESP Fit Center 862 is at -1.684851 -2.674760 3.063907 ESP Fit Center 863 is at -1.294052 -2.869354 3.063907 ESP Fit Center 864 is at -0.859348 -2.909635 3.063907 ESP Fit Center 865 is at -0.439447 -2.790163 3.063907 ESP Fit Center 866 is at -0.091060 -2.527073 3.063907 ESP Fit Center 867 is at 0.138763 -2.155897 3.063907 ESP Fit Center 868 is at 0.485965 -1.726764 2.715967 ESP Fit Center 869 is at 0.421327 -1.297918 2.715967 ESP Fit Center 870 is at 0.233156 -0.907176 2.715967 ESP Fit Center 871 is at -0.061828 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Center 1477 is at -3.735056 1.860013 2.538788 ESP Fit Center 1478 is at -3.735056 1.426323 2.538788 ESP Fit Center 1479 is at -3.607223 1.011901 2.538788 ESP Fit Center 1480 is at -3.362917 0.653569 2.538788 ESP Fit Center 1481 is at -3.023845 0.383168 2.538788 ESP Fit Center 1482 is at -2.620134 0.224723 2.538788 ESP Fit Center 1483 is at -2.187657 0.192314 2.538788 ESP Fit Center 1484 is at -1.764840 0.288819 2.538788 ESP Fit Center 1485 is at -1.389254 0.505664 2.538788 ESP Fit Center 1486 is at -1.094270 0.823581 2.538788 ESP Fit Center 1487 is at -0.906099 1.214322 2.538788 ESP Fit Center 1488 is at -0.673628 1.643168 2.133604 ESP Fit Center 1489 is at -0.728922 2.063168 2.133604 ESP Fit Center 1490 is at -3.863845 1.223168 2.133604 ESP Fit Center 1491 is at -3.701731 0.831790 2.133604 ESP Fit Center 1492 is at -3.443845 0.495707 2.133604 ESP Fit Center 1493 is at -3.107761 0.237821 2.133604 ESP Fit Center 1494 is at -1.876383 0.075707 2.133604 ESP Fit Center 1495 is at -1.485006 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3.152367 ESP Fit Center 1514 is at -2.290149 -2.922243 3.152367 ESP Fit Center 1515 is at -1.898527 -3.064782 3.152367 ESP Fit Center 1516 is at -3.105122 -2.497622 2.912413 ESP Fit Center 1517 is at -2.886831 -2.856586 2.912413 ESP Fit Center 1518 is at -2.579788 -3.143344 2.912413 ESP Fit Center 1519 is at -1.376280 -3.393436 2.912413 ESP Fit Center 1520 is at -1.797049 -0.047617 2.616597 ESP Fit Center 1521 is at -3.417780 -2.511819 2.616597 ESP Fit Center 1522 is at -3.226199 -2.893289 2.616597 ESP Fit Center 1523 is at -0.961954 -3.571159 2.616597 ESP Fit Center 1524 is at -3.507444 -2.891694 2.273906 ESP Fit Center 1525 is at -0.590718 -3.646887 2.273906 ESP Fit Center 1526 is at -3.694706 -2.916434 1.894755 ESP Fit Center 1527 is at -0.381969 -3.720095 1.894755 ESP Fit Center 1528 is at -3.945411 -2.703861 1.073906 ESP Fit Center 1529 is at -3.968513 -2.511801 0.657151 ESP Fit Center 1530 is at -3.694706 -2.916434 0.253058 ESP Fit Center 1531 is at -4.235744 -0.476374 -0.003554 ESP Fit Center 1532 is at -4.387487 -0.472951 -0.389003 ESP Fit Center 1533 is at -4.414492 -0.264882 -0.795327 ESP Fit Center 1534 is at -4.414492 -0.264882 -1.208689 ESP Fit Center 1535 is at -4.264884 -0.068784 -1.615013 ESP Fit Center 1536 is at -3.896609 0.285336 -2.000462 ESP Fit Center 1537 is at -4.106206 -0.077697 -2.000462 ESP Fit Center 1538 is at -3.501093 0.406952 -2.351910 ESP Fit Center 1539 is at -3.767879 0.089008 -2.351910 ESP Fit Center 1540 is at -3.954151 -0.281890 -2.351910 ESP Fit Center 1541 is at -0.765317 -0.893271 -2.657388 ESP Fit Center 1542 is at -0.826446 -0.468115 -2.657388 ESP Fit Center 1543 is at -1.004878 -0.077402 -2.657388 ESP Fit Center 1544 is at -1.286160 0.247214 -2.657388 ESP Fit Center 1545 is at -1.647502 0.479435 -2.657388 ESP Fit Center 1546 is at -2.901289 0.479435 -2.657388 ESP Fit Center 1547 is at -3.262632 0.247214 -2.657388 ESP Fit Center 1548 is at -3.543913 -0.077402 -2.657388 ESP Fit Center 1549 is at -3.722346 -0.468115 -2.657388 ESP Fit Center 1550 is at -2.059632 -2.386989 -2.657388 ESP Fit Center 1551 is at -1.647502 -2.265977 -2.657388 ESP Fit Center 1552 is at -0.826446 -1.318427 -2.657388 ESP Fit Center 1553 is at -1.095188 -0.893271 -2.906495 ESP Fit Center 1554 is at -1.174817 -0.467292 -2.906495 ESP Fit Center 1555 is at -1.402950 -0.098844 -2.906495 ESP Fit Center 1556 is at -1.748777 0.162313 -2.906495 ESP Fit Center 1557 is at -2.165592 0.280907 -2.906495 ESP Fit Center 1558 is at -2.597101 0.240922 -2.906495 ESP Fit Center 1559 is at -2.985027 0.047757 -2.906495 ESP Fit Center 1560 is at -3.276979 -0.272498 -2.906495 ESP Fit Center 1561 is at -3.433526 -0.676592 -2.906495 ESP Fit Center 1562 is at -2.165592 -2.067449 -2.906495 ESP Fit Center 1563 is at -1.748777 -1.948855 -2.906495 ESP Fit Center 1564 is at -1.402950 -1.687698 -2.906495 ESP Fit Center 1565 is at -1.174817 -1.319250 -2.906495 ESP Fit Center 1566 is at -1.465214 -0.893271 -3.090746 ESP Fit Center 1567 is at -1.573624 -0.488680 -3.090746 ESP Fit Center 1568 is at -1.869805 -0.192499 -3.090746 ESP Fit Center 1569 is at -2.274396 -0.084090 -3.090746 ESP Fit Center 1570 is at -2.678986 -0.192499 -3.090746 ESP Fit Center 1571 is at -2.975167 -0.488680 -3.090746 ESP Fit Center 1572 is at -3.083577 -0.893271 -3.090746 ESP Fit Center 1573 is at -2.975167 -1.297862 -3.090746 ESP Fit Center 1574 is at -2.678986 -1.594043 -3.090746 ESP Fit Center 1575 is at -2.274396 -1.702452 -3.090746 ESP Fit Center 1576 is at -1.869805 -1.594043 -3.090746 ESP Fit Center 1577 is at -1.573624 -1.297862 -3.090746 ESP Fit Center 1578 is at -1.862797 -0.893271 -3.203868 ESP Fit Center 1579 is at -2.068596 -0.536816 -3.203868 ESP Fit Center 1580 is at -2.480195 -0.536816 -3.203868 ESP Fit Center 1581 is at -2.685995 -0.893271 -3.203868 ESP Fit Center 1582 is at -2.480195 -1.249726 -3.203868 ESP Fit Center 1583 is at -2.068596 -1.249726 -3.203868 ESP Fit Center 1584 is at -2.274396 -0.893271 -3.242008 ESP Fit Center 1585 is at 2.753580 2.455789 2.310140 ESP Fit Center 1586 is at 3.165179 2.455789 2.272000 ESP Fit Center 1587 is at 2.959379 2.812245 2.272000 ESP Fit Center 1588 is at 2.547780 2.812245 2.272000 ESP Fit Center 1589 is at 2.341981 2.455789 2.272000 ESP Fit Center 1590 is at 2.547780 2.099334 2.272000 ESP Fit Center 1591 is at 2.959379 2.099334 2.272000 ESP Fit Center 1592 is at 3.562761 2.455789 2.158878 ESP Fit Center 1593 is at 3.454351 2.860380 2.158878 ESP Fit Center 1594 is at 3.158171 3.156561 2.158878 ESP Fit Center 1595 is at 2.753580 3.264971 2.158878 ESP Fit Center 1596 is at 2.348989 3.156561 2.158878 ESP Fit Center 1597 is at 2.052808 2.860380 2.158878 ESP Fit Center 1598 is at 3.158171 1.755018 2.158878 ESP Fit Center 1599 is at 3.454351 2.051199 2.158878 ESP Fit Center 1600 is at 3.932788 2.455789 1.974626 ESP Fit Center 1601 is at 3.853159 2.881769 1.974626 ESP Fit Center 1602 is at 3.625025 3.250217 1.974626 ESP Fit Center 1603 is at 3.279198 3.511373 1.974626 ESP Fit Center 1604 is at 2.862383 3.629967 1.974626 ESP Fit Center 1605 is at 2.430874 3.589982 1.974626 ESP Fit Center 1606 is at 2.042948 3.396818 1.974626 ESP Fit Center 1607 is at 1.750997 3.076562 1.974626 ESP Fit Center 1608 is at 3.279198 1.400206 1.974626 ESP Fit Center 1609 is at 3.625025 1.661362 1.974626 ESP Fit Center 1610 is at 3.853159 2.029810 1.974626 ESP Fit Center 1611 is at 4.262658 2.455789 1.725520 ESP Fit Center 1612 is at 4.201530 2.880946 1.725520 ESP Fit Center 1613 is at 4.023097 3.271659 1.725520 ESP Fit Center 1614 is at 3.741816 3.596275 1.725520 ESP Fit Center 1615 is at 3.380474 3.828495 1.725520 ESP Fit Center 1616 is at 2.968344 3.949507 1.725520 ESP Fit Center 1617 is at 2.538816 3.949507 1.725520 ESP Fit Center 1618 is at 2.126686 3.828495 1.725520 ESP Fit Center 1619 is at 1.765344 3.596275 1.725520 ESP Fit Center 1620 is at 1.484062 3.271659 1.725520 ESP Fit Center 1621 is at 3.741816 1.315304 1.725520 ESP Fit Center 1622 is at 4.023097 1.639920 1.725520 ESP Fit Center 1623 is at 4.201530 2.030633 1.725520 ESP Fit Center 1624 is at 4.541138 2.455789 1.420041 ESP Fit Center 1625 is at 4.492955 2.868029 1.420041 ESP Fit Center 1626 is at 4.351001 3.258044 1.420041 ESP Fit Center 1627 is at 4.122929 3.604810 1.420041 ESP Fit Center 1628 is at 3.821036 3.889632 1.420041 ESP Fit Center 1629 is at 3.461596 4.097155 1.420041 ESP Fit Center 1630 is at 3.063986 4.216191 1.420041 ESP Fit Center 1631 is at 2.649643 4.240324 1.420041 ESP Fit Center 1632 is at 2.240902 4.168252 1.420041 ESP Fit Center 1633 is at 1.859801 4.003861 1.420041 ESP Fit Center 1634 is at 1.526883 3.756012 1.420041 ESP Fit Center 1635 is at 4.122929 1.306769 1.420041 ESP Fit Center 1636 is at 4.351001 1.653535 1.420041 ESP Fit Center 1637 is at 4.492955 2.043550 1.420041 ESP Fit Center 1638 is at 4.758746 2.455789 1.068594 ESP Fit Center 1639 is at 4.714928 2.872687 1.068594 ESP Fit Center 1640 is at 4.585390 3.271364 1.068594 ESP Fit Center 1641 is at 4.375793 3.634396 1.068594 ESP Fit Center 1642 is at 4.095298 3.945918 1.068594 ESP Fit Center 1643 is at 3.756163 4.192314 1.068594 ESP Fit Center 1644 is at 3.373210 4.362815 1.068594 ESP Fit Center 1645 is at 2.963177 4.449971 1.068594 ESP Fit Center 1646 is at 2.543983 4.449971 1.068594 ESP Fit Center 1647 is at 2.133950 4.362815 1.068594 ESP Fit Center 1648 is at 1.750997 4.192314 1.068594 ESP Fit Center 1649 is at 1.411862 3.945918 1.068594 ESP Fit Center 1650 is at 4.375793 1.277183 1.068594 ESP Fit Center 1651 is at 4.585390 1.640215 1.068594 ESP Fit Center 1652 is at 4.714928 2.038892 1.068594 ESP Fit Center 1653 is at 4.908069 2.455789 0.683145 ESP Fit Center 1654 is at 4.866671 2.876109 0.683145 ESP Fit Center 1655 is at 4.744069 3.280277 0.683145 ESP Fit Center 1656 is at 4.544972 3.652760 0.683145 ESP Fit Center 1657 is at 4.277034 3.979244 0.683145 ESP Fit Center 1658 is at 3.950550 4.247182 0.683145 ESP Fit Center 1659 is at 3.578067 4.446278 0.683145 ESP Fit Center 1660 is at 3.173900 4.568881 0.683145 ESP Fit Center 1661 is at 2.753580 4.610279 0.683145 ESP Fit Center 1662 is at 2.333260 4.568881 0.683145 ESP Fit Center 1663 is at 1.929092 4.446278 0.683145 ESP Fit Center 1664 is at 1.556610 4.247182 0.683145 ESP Fit Center 1665 is at 4.544972 1.258819 0.683145 ESP Fit Center 1666 is at 4.744069 1.631302 0.683145 ESP Fit Center 1667 is at 4.866671 2.035469 0.683145 ESP Fit Center 1668 is at 4.984024 2.455789 0.276821 ESP Fit Center 1669 is at 4.943717 2.877904 0.276821 ESP Fit Center 1670 is at 4.824253 3.284762 0.276821 ESP Fit Center 1671 is at 4.629949 3.661659 0.276821 ESP Fit Center 1672 is at 4.367828 3.994972 0.276821 ESP Fit Center 1673 is at 4.047365 4.272656 0.276821 ESP Fit Center 1674 is at 3.680140 4.484673 0.276821 ESP Fit Center 1675 is at 3.279427 4.623361 0.276821 ESP Fit Center 1676 is at 2.859709 4.683708 0.276821 ESP Fit Center 1677 is at 2.436154 4.663531 0.276821 ESP Fit Center 1678 is at 2.024073 4.563561 0.276821 ESP Fit Center 1679 is at 1.638358 4.387411 0.276821 ESP Fit Center 1680 is at 4.629949 1.249920 0.276821 ESP Fit Center 1681 is at 4.824253 1.626817 0.276821 ESP Fit Center 1682 is at 4.943717 2.033675 0.276821 ESP Fit Center 1683 is at 4.984024 2.455789 -0.136541 ESP Fit Center 1684 is at 4.943717 2.877904 -0.136541 ESP Fit Center 1685 is at 4.824253 3.284762 -0.136541 ESP Fit Center 1686 is at 4.629949 3.661659 -0.136541 ESP Fit Center 1687 is at 4.367828 3.994972 -0.136541 ESP Fit Center 1688 is at 4.047365 4.272656 -0.136541 ESP Fit Center 1689 is at 3.680140 4.484673 -0.136541 ESP Fit Center 1690 is at 3.279427 4.623361 -0.136541 ESP Fit Center 1691 is at 2.859709 4.683708 -0.136541 ESP Fit Center 1692 is at 2.436154 4.663531 -0.136541 ESP Fit Center 1693 is at 2.024073 4.563561 -0.136541 ESP Fit Center 1694 is at 1.638358 4.387411 -0.136541 ESP Fit Center 1695 is at 4.629949 1.249920 -0.136541 ESP Fit Center 1696 is at 4.824253 1.626817 -0.136541 ESP Fit Center 1697 is at 4.943717 2.033675 -0.136541 ESP Fit Center 1698 is at 4.908069 2.455789 -0.542865 ESP Fit Center 1699 is at 4.866671 2.876109 -0.542865 ESP Fit Center 1700 is at 4.744069 3.280277 -0.542865 ESP Fit Center 1701 is at 4.544972 3.652760 -0.542865 ESP Fit Center 1702 is at 4.277034 3.979244 -0.542865 ESP Fit Center 1703 is at 3.950550 4.247182 -0.542865 ESP Fit Center 1704 is at 3.578067 4.446278 -0.542865 ESP Fit Center 1705 is at 3.173900 4.568881 -0.542865 ESP Fit Center 1706 is at 2.753580 4.610279 -0.542865 ESP Fit Center 1707 is at 2.333260 4.568881 -0.542865 ESP Fit Center 1708 is at 1.929092 4.446278 -0.542865 ESP Fit Center 1709 is at 4.544972 1.258819 -0.542865 ESP Fit Center 1710 is at 4.744069 1.631302 -0.542865 ESP Fit Center 1711 is at 4.866671 2.035469 -0.542865 ESP Fit Center 1712 is at 4.758746 2.455789 -0.928314 ESP Fit Center 1713 is at 4.714928 2.872687 -0.928314 ESP Fit Center 1714 is at 4.585390 3.271364 -0.928314 ESP Fit Center 1715 is at 4.375793 3.634396 -0.928314 ESP Fit Center 1716 is at 4.095298 3.945918 -0.928314 ESP Fit Center 1717 is at 3.756163 4.192314 -0.928314 ESP Fit Center 1718 is at 3.373210 4.362815 -0.928314 ESP Fit Center 1719 is at 2.963177 4.449971 -0.928314 ESP Fit Center 1720 is at 2.543983 4.449971 -0.928314 ESP Fit Center 1721 is at 2.133950 4.362815 -0.928314 ESP Fit Center 1722 is at 1.750997 4.192314 -0.928314 ESP Fit Center 1723 is at 4.375793 1.277183 -0.928314 ESP Fit Center 1724 is at 4.585390 1.640215 -0.928314 ESP Fit Center 1725 is at 4.714928 2.038892 -0.928314 ESP Fit Center 1726 is at 4.541138 2.455789 -1.279762 ESP Fit Center 1727 is at 4.492955 2.868029 -1.279762 ESP Fit Center 1728 is at 4.351001 3.258044 -1.279762 ESP Fit Center 1729 is at 4.122929 3.604810 -1.279762 ESP Fit Center 1730 is at 3.821036 3.889632 -1.279762 ESP Fit Center 1731 is at 3.461596 4.097155 -1.279762 ESP Fit Center 1732 is at 3.063986 4.216191 -1.279762 ESP Fit Center 1733 is at 2.649643 4.240324 -1.279762 ESP Fit Center 1734 is at 2.240902 4.168252 -1.279762 ESP Fit Center 1735 is at 1.859801 4.003861 -1.279762 ESP Fit Center 1736 is at 4.122929 1.306769 -1.279762 ESP Fit Center 1737 is at 4.351001 1.653535 -1.279762 ESP Fit Center 1738 is at 4.492955 2.043550 -1.279762 ESP Fit Center 1739 is at 4.262658 2.455789 -1.585240 ESP Fit Center 1740 is at 4.201530 2.880946 -1.585240 ESP Fit Center 1741 is at 4.023097 3.271659 -1.585240 ESP Fit Center 1742 is at 3.741816 3.596275 -1.585240 ESP Fit Center 1743 is at 3.380474 3.828495 -1.585240 ESP Fit Center 1744 is at 2.968344 3.949507 -1.585240 ESP Fit Center 1745 is at 2.538816 3.949507 -1.585240 ESP Fit Center 1746 is at 2.126686 3.828495 -1.585240 ESP Fit Center 1747 is at 1.765344 3.596275 -1.585240 ESP Fit Center 1748 is at 3.741816 1.315304 -1.585240 ESP Fit Center 1749 is at 4.023097 1.639920 -1.585240 ESP Fit Center 1750 is at 4.201530 2.030633 -1.585240 ESP Fit Center 1751 is at 3.932788 2.455789 -1.834346 ESP Fit Center 1752 is at 3.853159 2.881769 -1.834346 ESP Fit Center 1753 is at 3.625025 3.250217 -1.834346 ESP Fit Center 1754 is at 3.279198 3.511373 -1.834346 ESP Fit Center 1755 is at 2.862383 3.629967 -1.834346 ESP Fit Center 1756 is at 2.430874 3.589982 -1.834346 ESP Fit Center 1757 is at 2.042948 3.396818 -1.834346 ESP Fit Center 1758 is at 3.625025 1.661362 -1.834346 ESP Fit Center 1759 is at 3.853159 2.029810 -1.834346 ESP Fit Center 1760 is at 3.562761 2.455789 -2.018598 ESP Fit Center 1761 is at 3.454351 2.860380 -2.018598 ESP Fit Center 1762 is at 3.158171 3.156561 -2.018598 ESP Fit Center 1763 is at 2.753580 3.264971 -2.018598 ESP Fit Center 1764 is at 2.348989 3.156561 -2.018598 ESP Fit Center 1765 is at 3.158171 1.755018 -2.018598 ESP Fit Center 1766 is at 3.454351 2.051199 -2.018598 ESP Fit Center 1767 is at 3.165179 2.455789 -2.131720 ESP Fit Center 1768 is at 2.959379 2.812245 -2.131720 ESP Fit Center 1769 is at 2.547780 2.812245 -2.131720 ESP Fit Center 1770 is at 2.959379 2.099334 -2.131720 ESP Fit Center 1771 is at 2.753580 2.455789 -2.169860 ESP Fit Center 1772 is at 1.835969 1.633115 2.384080 ESP Fit Center 1773 is at 2.252724 1.633115 2.347619 ESP Fit Center 1774 is at 2.044347 1.994036 2.347619 ESP Fit Center 1775 is at 1.627591 1.994036 2.347619 ESP Fit Center 1776 is at 1.419213 1.633115 2.347619 ESP Fit Center 1777 is at 1.627591 1.272194 2.347619 ESP Fit Center 1778 is at 2.044347 1.272194 2.347619 ESP Fit Center 1779 is at 2.656817 1.633115 2.239342 ESP Fit Center 1780 is at 1.835969 2.453963 2.239342 ESP Fit Center 1781 is at 1.425545 2.343990 2.239342 ESP Fit Center 1782 is at 1.125093 2.043539 2.239342 ESP Fit Center 1783 is at 1.015121 1.633115 2.239342 ESP Fit Center 1784 is at 1.125093 1.222690 2.239342 ESP Fit Center 1785 is at 2.546844 1.222690 2.239342 ESP Fit Center 1786 is at 1.627591 2.814884 2.062541 ESP Fit Center 1787 is at 1.235969 2.672345 2.062541 ESP Fit Center 1788 is at 0.916716 0.861770 2.062541 ESP Fit Center 1789 is at 1.319353 3.086731 1.822587 ESP Fit Center 1790 is at 1.730692 3.172209 -1.854426 ESP Fit Center 1791 is at 3.321452 1.216902 -1.854426 ESP Fit Center 1792 is at 3.035969 1.633115 -2.094381 ESP Fit Center 1793 is at 2.044347 2.814884 -2.094381 ESP Fit Center 1794 is at 1.627591 2.814884 -2.094381 ESP Fit Center 1795 is at 2.963600 1.222690 -2.094381 ESP Fit Center 1796 is at 2.656817 1.633115 -2.271182 ESP Fit Center 1797 is at 2.546844 2.043539 -2.271182 ESP Fit Center 1798 is at 2.246393 2.343990 -2.271182 ESP Fit Center 1799 is at 1.835969 2.453963 -2.271182 ESP Fit Center 1800 is at 1.425545 0.922239 -2.271182 ESP Fit Center 1801 is at 2.246393 0.922239 -2.271182 ESP Fit Center 1802 is at 2.546844 1.222690 -2.271182 ESP Fit Center 1803 is at 2.252724 1.633115 -2.379458 ESP Fit Center 1804 is at 2.044347 1.994036 -2.379458 ESP Fit Center 1805 is at 1.627591 1.994036 -2.379458 ESP Fit Center 1806 is at 1.419213 1.633115 -2.379458 ESP Fit Center 1807 is at 1.627591 1.272194 -2.379458 ESP Fit Center 1808 is at 2.044347 1.272194 -2.379458 ESP Fit Center 1809 is at 1.835969 1.633115 -2.415920 ESP Fit Center 1810 is at 2.095956 0.280670 2.443392 ESP Fit Center 1811 is at 2.512711 0.280670 2.406930 ESP Fit Center 1812 is at 2.304333 0.641591 2.406930 ESP Fit Center 1813 is at 1.887578 0.641591 2.406930 ESP Fit Center 1814 is at 1.679200 0.280670 2.406930 ESP Fit Center 1815 is at 1.887578 -0.080251 2.406930 ESP Fit Center 1816 is at 2.304333 -0.080251 2.406930 ESP Fit Center 1817 is at 2.916804 0.280670 2.298654 ESP Fit Center 1818 is at 2.806831 0.691094 2.298654 ESP Fit Center 1819 is at 2.506380 0.991546 2.298654 ESP Fit Center 1820 is at 1.685531 0.991546 2.298654 ESP Fit Center 1821 is at 1.385080 0.691094 2.298654 ESP Fit Center 1822 is at 1.275107 0.280670 2.298654 ESP Fit Center 1823 is at 1.385080 -0.129754 2.298654 ESP Fit Center 1824 is at 1.685531 -0.430205 2.298654 ESP Fit Center 1825 is at 2.095956 -0.540178 2.298654 ESP Fit Center 1826 is at 2.506380 -0.430205 2.298654 ESP Fit Center 1827 is at 2.806831 -0.129754 2.298654 ESP Fit Center 1828 is at 3.295956 0.280670 2.121853 ESP Fit Center 1829 is at 3.223587 0.691094 2.121853 ESP Fit Center 1830 is at 3.015209 1.052015 2.121853 ESP Fit Center 1831 is at 0.968324 0.691094 2.121853 ESP Fit Center 1832 is at 0.895956 0.280670 2.121853 ESP Fit Center 1833 is at 2.695956 -0.758560 2.121853 ESP Fit Center 1834 is at 3.015209 -0.490675 2.121853 ESP Fit Center 1835 is at 3.223587 -0.129754 2.121853 ESP Fit Center 1836 is at 3.581439 0.696883 1.881898 ESP Fit Center 1837 is at 3.414060 1.082227 1.881898 ESP Fit Center 1838 is at 3.148924 -0.846783 1.881898 ESP Fit Center 1839 is at 3.738905 1.105790 1.586082 ESP Fit Center 1840 is at 3.884905 0.704659 -1.499299 ESP Fit Center 1841 is at 3.738905 1.105790 -1.499299 ESP Fit Center 1842 is at 3.504333 -0.901099 -1.499299 ESP Fit Center 1843 is at 3.638646 0.280670 -1.795115 ESP Fit Center 1844 is at 3.581439 0.696883 -1.795115 ESP Fit Center 1845 is at 3.414060 1.082227 -1.795115 ESP Fit Center 1846 is at 3.148924 -0.846783 -1.795115 ESP Fit Center 1847 is at 3.414060 -0.520887 -1.795115 ESP Fit Center 1848 is at 3.581439 -0.135543 -1.795115 ESP Fit Center 1849 is at 3.295956 0.280670 -2.035069 ESP Fit Center 1850 is at 3.223587 0.691094 -2.035069 ESP Fit Center 1851 is at 3.015209 1.052015 -2.035069 ESP Fit Center 1852 is at 2.695956 -0.758560 -2.035069 ESP Fit Center 1853 is at 3.015209 -0.490675 -2.035069 ESP Fit Center 1854 is at 3.223587 -0.129754 -2.035069 ESP Fit Center 1855 is at 2.916804 0.280670 -2.211871 ESP Fit Center 1856 is at 2.806831 0.691094 -2.211871 ESP Fit Center 1857 is at 1.385080 0.691094 -2.211871 ESP Fit Center 1858 is at 1.275107 0.280670 -2.211871 ESP Fit Center 1859 is at 2.506380 -0.430205 -2.211871 ESP Fit Center 1860 is at 2.806831 -0.129754 -2.211871 ESP Fit Center 1861 is at 2.512711 0.280670 -2.320147 ESP Fit Center 1862 is at 2.304333 0.641591 -2.320147 ESP Fit Center 1863 is at 1.887578 0.641591 -2.320147 ESP Fit Center 1864 is at 1.679200 0.280670 -2.320147 ESP Fit Center 1865 is at 1.887578 -0.080251 -2.320147 ESP Fit Center 1866 is at 2.304333 -0.080251 -2.320147 ESP Fit Center 1867 is at 2.095956 0.280670 -2.356608 ESP Fit Center 1868 is at 1.166297 -0.743485 2.365100 ESP Fit Center 1869 is at 1.583052 -0.743485 2.328638 ESP Fit Center 1870 is at 1.374674 -0.382564 2.328638 ESP Fit Center 1871 is at 0.957919 -0.382564 2.328638 ESP Fit Center 1872 is at 0.749541 -0.743485 2.328638 ESP Fit Center 1873 is at 0.755872 -0.032610 2.220362 ESP Fit Center 1874 is at 0.455421 -0.333061 2.220362 ESP Fit Center 1875 is at 0.566297 0.295745 2.043561 ESP Fit Center 1876 is at 2.366297 -0.743485 -2.113361 ESP Fit Center 1877 is at 1.987145 -0.743485 -2.290163 ESP Fit Center 1878 is at 1.877172 -0.333061 -2.290163 ESP Fit Center 1879 is at 1.576721 -0.032610 -2.290163 ESP Fit Center 1880 is at 1.166297 0.077363 -2.290163 ESP Fit Center 1881 is at 1.583052 -0.743485 -2.398439 ESP Fit Center 1882 is at 1.374674 -0.382564 -2.398439 ESP Fit Center 1883 is at 0.957919 -0.382564 -2.398439 ESP Fit Center 1884 is at 0.749541 -0.743485 -2.398439 ESP Fit Center 1885 is at 0.957919 -1.104406 -2.398439 ESP Fit Center 1886 is at 1.374674 -1.104406 -2.398439 ESP Fit Center 1887 is at 1.166297 -0.743485 -2.434900 ESP Fit Center 1888 is at 1.655215 -2.463099 2.850236 ESP Fit Center 1889 is at 2.072533 -2.463099 2.818963 ESP Fit Center 1890 is at 1.863874 -2.101691 2.818963 ESP Fit Center 1891 is at 1.446556 -2.101691 2.818963 ESP Fit Center 1892 is at 1.237897 -2.463099 2.818963 ESP Fit Center 1893 is at 1.446556 -2.824507 2.818963 ESP Fit Center 1894 is at 1.863874 -2.824507 2.818963 ESP Fit Center 1895 is at 2.480530 -2.463099 2.725840 ESP Fit Center 1896 is at 2.369958 -2.050442 2.725840 ESP Fit Center 1897 is at 2.067872 -1.748356 2.725840 ESP Fit Center 1898 is at 1.655215 -1.637785 2.725840 ESP Fit Center 1899 is at 1.242558 -1.748356 2.725840 ESP Fit Center 1900 is at 0.940472 -2.050442 2.725840 ESP Fit Center 1901 is at 0.829901 -2.463099 2.725840 ESP Fit Center 1902 is at 0.940472 -2.875756 2.725840 ESP Fit Center 1903 is at 1.242558 -3.177842 2.725840 ESP Fit Center 1904 is at 1.655215 -3.288414 2.725840 ESP Fit Center 1905 is at 2.067872 -3.177842 2.725840 ESP Fit Center 1906 is at 2.369958 -2.875756 2.725840 ESP Fit Center 1907 is at 2.870090 -2.463099 2.572949 ESP Fit Center 1908 is at 2.796824 -2.047588 2.572949 ESP Fit Center 1909 is at 2.585863 -1.682193 2.572949 ESP Fit Center 1910 is at 2.262652 -1.410987 2.572949 ESP Fit Center 1911 is at 1.866176 -1.266681 2.572949 ESP Fit Center 1912 is at 1.444254 -1.266681 2.572949 ESP Fit Center 1913 is at 1.047778 -1.410987 2.572949 ESP Fit Center 1914 is at 0.513607 -2.878611 2.572949 ESP Fit Center 1915 is at 0.724567 -3.244005 2.572949 ESP Fit Center 1916 is at 1.047778 -3.515211 2.572949 ESP Fit Center 1917 is at 1.444254 -3.659517 2.572949 ESP Fit Center 1918 is at 1.866176 -3.659517 2.572949 ESP Fit Center 1919 is at 2.262652 -3.515211 2.572949 ESP Fit Center 1920 is at 2.585863 -3.244005 2.572949 ESP Fit Center 1921 is at 2.796824 -2.878611 2.572949 ESP Fit Center 1922 is at 3.232511 -2.463099 2.363705 ESP Fit Center 1923 is at 3.178766 -2.054865 2.363705 ESP Fit Center 1924 is at 3.021194 -1.674451 2.363705 ESP Fit Center 1925 is at 2.770532 -1.347782 2.363705 ESP Fit Center 1926 is at 2.443863 -1.097121 2.363705 ESP Fit Center 1927 is at 2.063449 -0.939548 2.363705 ESP Fit Center 1928 is at 1.655215 -0.885803 2.363705 ESP Fit Center 1929 is at 1.246981 -0.939548 2.363705 ESP Fit Center 1930 is at 0.866567 -1.097121 2.363705 ESP Fit Center 1931 is at 0.289237 -3.251747 2.363705 ESP Fit Center 1932 is at 0.539898 -3.578416 2.363705 ESP Fit Center 1933 is at 0.866567 -3.829078 2.363705 ESP Fit Center 1934 is at 1.246981 -3.986650 2.363705 ESP Fit Center 1935 is at 1.655215 -4.040395 2.363705 ESP Fit Center 1936 is at 2.063449 -3.986650 2.363705 ESP Fit Center 1937 is at 2.443863 -3.829078 2.363705 ESP Fit Center 1938 is at 2.770532 -3.578416 2.363705 ESP Fit Center 1939 is at 3.021194 -3.251747 2.363705 ESP Fit Center 1940 is at 3.178766 -2.871333 2.363705 ESP Fit Center 1941 is at 3.559699 -2.463099 2.102781 ESP Fit Center 1942 is at 3.515173 -2.053691 2.102781 ESP Fit Center 1943 is at 3.383678 -1.663427 2.102781 ESP Fit Center 1944 is at 3.171361 -1.310555 2.102781 ESP Fit Center 1945 is at 2.888152 -1.011574 2.102781 ESP Fit Center 1946 is at 0.023345 -3.444963 2.102781 ESP Fit Center 1947 is at 0.272569 -3.772812 2.102781 ESP Fit Center 1948 is at 0.586444 -4.039419 2.102781 ESP Fit Center 1949 is at 0.950293 -4.232320 2.102781 ESP Fit Center 1950 is at 1.347104 -4.342494 2.102781 ESP Fit Center 1951 is at 1.758322 -4.364790 2.102781 ESP Fit Center 1952 is at 2.164718 -4.298164 2.102781 ESP Fit Center 1953 is at 2.547291 -4.145733 2.102781 ESP Fit Center 1954 is at 2.888152 -3.914624 2.102781 ESP Fit Center 1955 is at 3.171361 -3.615644 2.102781 ESP Fit Center 1956 is at 3.383678 -3.262771 2.102781 ESP Fit Center 1957 is at 3.515173 -2.872507 2.102781 ESP Fit Center 1958 is at 3.844343 -2.463099 1.796008 ESP Fit Center 1959 is at 3.804783 -2.048804 1.796008 ESP Fit Center 1960 is at 3.687531 -1.649482 1.796008 ESP Fit Center 1961 is at 3.496827 -1.279567 1.796008 ESP Fit Center 1962 is at -0.065556 -3.816328 1.796008 ESP Fit Center 1963 is at 0.221641 -4.117532 1.796008 ESP Fit Center 1964 is at 0.560651 -4.358940 1.796008 ESP Fit Center 1965 is at 0.939221 -4.531827 1.796008 ESP Fit Center 1966 is at 1.343670 -4.629945 1.796008 ESP Fit Center 1967 is at 1.759378 -4.649748 1.796008 ESP Fit Center 1968 is at 2.171322 -4.590519 1.796008 ESP Fit Center 1969 is at 2.564612 -4.454400 1.796008 ESP Fit Center 1970 is at 2.925034 -4.246310 1.796008 ESP Fit Center 1971 is at 3.239562 -3.973771 1.796008 ESP Fit Center 1972 is at 3.496827 -3.646631 1.796008 ESP Fit Center 1973 is at 3.687531 -3.276716 1.796008 ESP Fit Center 1974 is at 3.804783 -2.877394 1.796008 ESP Fit Center 1975 is at 4.080086 -2.463099 1.450236 ESP Fit Center 1976 is at 4.045207 -2.053294 1.450236 ESP Fit Center 1977 is at 3.941571 -1.655278 1.450236 ESP Fit Center 1978 is at 3.772162 -1.280502 1.450236 ESP Fit Center 1979 is at -0.095435 -4.140962 1.450236 ESP Fit Center 1980 is at 0.213306 -4.412689 1.450236 ESP Fit Center 1981 is at 0.563529 -4.628329 1.450236 ESP Fit Center 1982 is at 0.945158 -4.781680 1.450236 ESP Fit Center 1983 is at 1.347213 -4.868330 1.450236 ESP Fit Center 1984 is at 1.758130 -4.885785 1.450236 ESP Fit Center 1985 is at 2.166085 -4.833545 1.450236 ESP Fit Center 1986 is at 2.559344 -4.713110 1.450236 ESP Fit Center 1987 is at 2.926593 -4.527948 1.450236 ESP Fit Center 1988 is at 3.257266 -4.283383 1.450236 ESP Fit Center 1989 is at 3.541852 -3.986452 1.450236 ESP Fit Center 1990 is at 3.772162 -3.645697 1.450236 ESP Fit Center 1991 is at 3.941571 -3.270920 1.450236 ESP Fit Center 1992 is at 4.045207 -2.872904 1.450236 ESP Fit Center 1993 is at 4.261662 -2.463099 1.073191 ESP Fit Center 1994 is at 4.229572 -2.055361 1.073191 ESP Fit Center 1995 is at 4.134093 -1.657663 1.073191 ESP Fit Center 1996 is at -0.187821 -4.306135 1.073191 ESP Fit Center 1997 is at 0.123184 -4.571759 1.073191 ESP Fit Center 1998 is at 0.471913 -4.785460 1.073191 ESP Fit Center 1999 is at 0.849779 -4.941977 1.073191 ESP Fit Center 2000 is at 1.247477 -5.037456 1.073191 ESP Fit Center 2001 is at 1.655215 -5.069546 1.073191 ESP Fit Center 2002 is at 2.062953 -5.037456 1.073191 ESP Fit Center 2003 is at 2.460651 -4.941977 1.073191 ESP Fit Center 2004 is at 2.838517 -4.785460 1.073191 ESP Fit Center 2005 is at 3.187246 -4.571759 1.073191 ESP Fit Center 2006 is at 3.498251 -4.306135 1.073191 ESP Fit Center 2007 is at 3.763875 -3.995130 1.073191 ESP Fit Center 2008 is at 3.977576 -3.646401 1.073191 ESP Fit Center 2009 is at 4.134093 -3.268535 1.073191 ESP Fit Center 2010 is at 4.229572 -2.870837 1.073191 ESP Fit Center 2011 is at 4.385013 -2.463099 0.673295 ESP Fit Center 2012 is at 4.353021 -2.046397 0.673295 ESP Fit Center 2013 is at 4.257795 -1.639463 0.673295 ESP Fit Center 2014 is at -0.450795 -4.199913 0.673295 ESP Fit Center 2015 is at -0.160990 -4.501039 0.673295 ESP Fit Center 2016 is at 0.171385 -4.754397 0.673295 ESP Fit Center 2017 is at 0.538540 -4.954050 0.673295 ESP Fit Center 2018 is at 0.931869 -5.095317 0.673295 ESP Fit Center 2019 is at 1.342153 -5.174886 0.673295 ESP Fit Center 2020 is at 1.759774 -5.190894 0.673295 ESP Fit Center 2021 is at 2.174944 -5.142965 0.673295 ESP Fit Center 2022 is at 2.577933 -5.032221 0.673295 ESP Fit Center 2023 is at 2.959294 -4.861260 0.673295 ESP Fit Center 2024 is at 3.310088 -4.634088 0.673295 ESP Fit Center 2025 is at 3.622094 -4.356030 0.673295 ESP Fit Center 2026 is at 3.887997 -4.033603 0.673295 ESP Fit Center 2027 is at 4.101566 -3.674365 0.673295 ESP Fit Center 2028 is at 4.257795 -3.286735 0.673295 ESP Fit Center 2029 is at 4.353021 -2.879801 0.673295 ESP Fit Center 2030 is at 4.447386 -2.463099 0.259481 ESP Fit Center 2031 is at 4.416199 -2.046948 0.259481 ESP Fit Center 2032 is at 4.323337 -1.640092 0.259481 ESP Fit Center 2033 is at -0.391591 -4.362257 0.259481 ESP Fit Center 2034 is at -0.085675 -4.646106 0.259481 ESP Fit Center 2035 is at 0.259130 -4.881190 0.259481 ESP Fit Center 2036 is at 0.635121 -5.062257 0.259481 ESP Fit Center 2037 is at 1.033899 -5.185264 0.259481 ESP Fit Center 2038 is at 1.446556 -5.247462 0.259481 ESP Fit Center 2039 is at 1.863874 -5.247462 0.259481 ESP Fit Center 2040 is at 2.276532 -5.185264 0.259481 ESP Fit Center 2041 is at 2.675310 -5.062257 0.259481 ESP Fit Center 2042 is at 3.051300 -4.881190 0.259481 ESP Fit Center 2043 is at 3.396105 -4.646106 0.259481 ESP Fit Center 2044 is at 3.702021 -4.362257 0.259481 ESP Fit Center 2045 is at 3.962215 -4.035985 0.259481 ESP Fit Center 2046 is at 4.170874 -3.674577 0.259481 ESP Fit Center 2047 is at 4.323337 -3.286106 0.259481 ESP Fit Center 2048 is at 4.416199 -2.879251 0.259481 ESP Fit Center 2049 is at 4.447386 -2.463099 -0.159008 ESP Fit Center 2050 is at 4.416199 -2.046948 -0.159008 ESP Fit Center 2051 is at 4.323337 -1.640092 -0.159008 ESP Fit Center 2052 is at -0.651785 -4.035985 -0.159008 ESP Fit Center 2053 is at -0.391591 -4.362257 -0.159008 ESP Fit Center 2054 is at -0.085675 -4.646106 -0.159008 ESP Fit Center 2055 is at 0.259130 -4.881190 -0.159008 ESP Fit Center 2056 is at 0.635121 -5.062257 -0.159008 ESP Fit Center 2057 is at 1.033899 -5.185264 -0.159008 ESP Fit Center 2058 is at 1.446556 -5.247462 -0.159008 ESP Fit Center 2059 is at 1.863874 -5.247462 -0.159008 ESP Fit Center 2060 is at 2.276532 -5.185264 -0.159008 ESP Fit Center 2061 is at 2.675310 -5.062257 -0.159008 ESP Fit Center 2062 is at 3.051300 -4.881190 -0.159008 ESP Fit Center 2063 is at 3.396105 -4.646106 -0.159008 ESP Fit Center 2064 is at 3.702021 -4.362257 -0.159008 ESP Fit Center 2065 is at 3.962215 -4.035985 -0.159008 ESP Fit Center 2066 is at 4.170874 -3.674577 -0.159008 ESP Fit Center 2067 is at 4.323337 -3.286106 -0.159008 ESP Fit Center 2068 is at 4.416199 -2.879251 -0.159008 ESP Fit Center 2069 is at 4.385013 -2.463099 -0.572822 ESP Fit Center 2070 is at 4.353021 -2.046397 -0.572822 ESP Fit Center 2071 is at 4.257795 -1.639463 -0.572822 ESP Fit Center 2072 is at -0.450795 -4.199913 -0.572822 ESP Fit Center 2073 is at -0.160990 -4.501039 -0.572822 ESP Fit Center 2074 is at 0.171385 -4.754397 -0.572822 ESP Fit Center 2075 is at 0.538540 -4.954050 -0.572822 ESP Fit Center 2076 is at 0.931869 -5.095317 -0.572822 ESP Fit Center 2077 is at 1.342153 -5.174886 -0.572822 ESP Fit Center 2078 is at 1.759774 -5.190894 -0.572822 ESP Fit Center 2079 is at 2.174944 -5.142965 -0.572822 ESP Fit Center 2080 is at 2.577933 -5.032221 -0.572822 ESP Fit Center 2081 is at 2.959294 -4.861260 -0.572822 ESP Fit Center 2082 is at 3.310088 -4.634088 -0.572822 ESP Fit Center 2083 is at 3.622094 -4.356030 -0.572822 ESP Fit Center 2084 is at 3.887997 -4.033603 -0.572822 ESP Fit Center 2085 is at 4.101566 -3.674365 -0.572822 ESP Fit Center 2086 is at 4.257795 -3.286735 -0.572822 ESP Fit Center 2087 is at 4.353021 -2.879801 -0.572822 ESP Fit Center 2088 is at 4.261662 -2.463099 -0.972719 ESP Fit Center 2089 is at 4.229572 -2.055361 -0.972719 ESP Fit Center 2090 is at 4.134093 -1.657663 -0.972719 ESP Fit Center 2091 is at 3.977576 -1.279797 -0.972719 ESP Fit Center 2092 is at -0.187821 -4.306135 -0.972719 ESP Fit Center 2093 is at 0.123184 -4.571759 -0.972719 ESP Fit Center 2094 is at 0.471913 -4.785460 -0.972719 ESP Fit Center 2095 is at 0.849779 -4.941977 -0.972719 ESP Fit Center 2096 is at 1.247477 -5.037456 -0.972719 ESP Fit Center 2097 is at 1.655215 -5.069546 -0.972719 ESP Fit Center 2098 is at 2.062953 -5.037456 -0.972719 ESP Fit Center 2099 is at 2.460651 -4.941977 -0.972719 ESP Fit Center 2100 is at 2.838517 -4.785460 -0.972719 ESP Fit Center 2101 is at 3.187246 -4.571759 -0.972719 ESP Fit Center 2102 is at 3.498251 -4.306135 -0.972719 ESP Fit Center 2103 is at 3.763875 -3.995130 -0.972719 ESP Fit Center 2104 is at 3.977576 -3.646401 -0.972719 ESP Fit Center 2105 is at 4.134093 -3.268535 -0.972719 ESP Fit Center 2106 is at 4.229572 -2.870837 -0.972719 ESP Fit Center 2107 is at 4.080086 -2.463099 -1.349764 ESP Fit Center 2108 is at 4.045207 -2.053294 -1.349764 ESP Fit Center 2109 is at 3.941571 -1.655278 -1.349764 ESP Fit Center 2110 is at 3.772162 -1.280502 -1.349764 ESP Fit Center 2111 is at -0.095435 -4.140962 -1.349764 ESP Fit Center 2112 is at 0.213306 -4.412689 -1.349764 ESP Fit Center 2113 is at 0.563529 -4.628329 -1.349764 ESP Fit Center 2114 is at 0.945158 -4.781680 -1.349764 ESP Fit Center 2115 is at 1.347213 -4.868330 -1.349764 ESP Fit Center 2116 is at 1.758130 -4.885785 -1.349764 ESP Fit Center 2117 is at 2.166085 -4.833545 -1.349764 ESP Fit Center 2118 is at 2.559344 -4.713110 -1.349764 ESP Fit Center 2119 is at 2.926593 -4.527948 -1.349764 ESP Fit Center 2120 is at 3.257266 -4.283383 -1.349764 ESP Fit Center 2121 is at 3.541852 -3.986452 -1.349764 ESP Fit Center 2122 is at 3.772162 -3.645697 -1.349764 ESP Fit Center 2123 is at 3.941571 -3.270920 -1.349764 ESP Fit Center 2124 is at 4.045207 -2.872904 -1.349764 ESP Fit Center 2125 is at 3.844343 -2.463099 -1.695535 ESP Fit Center 2126 is at 3.804783 -2.048804 -1.695535 ESP Fit Center 2127 is at 3.687531 -1.649482 -1.695535 ESP Fit Center 2128 is at 3.496827 -1.279567 -1.695535 ESP Fit Center 2129 is at 3.239562 -0.952428 -1.695535 ESP Fit Center 2130 is at 0.221641 -4.117532 -1.695535 ESP Fit Center 2131 is at 0.560651 -4.358940 -1.695535 ESP Fit Center 2132 is at 0.939221 -4.531827 -1.695535 ESP Fit Center 2133 is at 1.343670 -4.629945 -1.695535 ESP Fit Center 2134 is at 1.759378 -4.649748 -1.695535 ESP Fit Center 2135 is at 2.171322 -4.590519 -1.695535 ESP Fit Center 2136 is at 2.564612 -4.454400 -1.695535 ESP Fit Center 2137 is at 2.925034 -4.246310 -1.695535 ESP Fit Center 2138 is at 3.239562 -3.973771 -1.695535 ESP Fit Center 2139 is at 3.496827 -3.646631 -1.695535 ESP Fit Center 2140 is at 3.687531 -3.276716 -1.695535 ESP Fit Center 2141 is at 3.804783 -2.877394 -1.695535 ESP Fit Center 2142 is at 3.559699 -2.463099 -2.002309 ESP Fit Center 2143 is at 3.515173 -2.053691 -2.002309 ESP Fit Center 2144 is at 3.383678 -1.663427 -2.002309 ESP Fit Center 2145 is at 3.171361 -1.310555 -2.002309 ESP Fit Center 2146 is at 2.888152 -1.011574 -2.002309 ESP Fit Center 2147 is at 0.272569 -3.772812 -2.002309 ESP Fit Center 2148 is at 0.586444 -4.039419 -2.002309 ESP Fit Center 2149 is at 0.950293 -4.232320 -2.002309 ESP Fit Center 2150 is at 1.347104 -4.342494 -2.002309 ESP Fit Center 2151 is at 1.758322 -4.364790 -2.002309 ESP Fit Center 2152 is at 2.164718 -4.298164 -2.002309 ESP Fit Center 2153 is at 2.547291 -4.145733 -2.002309 ESP Fit Center 2154 is at 2.888152 -3.914624 -2.002309 ESP Fit Center 2155 is at 3.171361 -3.615644 -2.002309 ESP Fit Center 2156 is at 3.383678 -3.262771 -2.002309 ESP Fit Center 2157 is at 3.515173 -2.872507 -2.002309 ESP Fit Center 2158 is at 3.232511 -2.463099 -2.263232 ESP Fit Center 2159 is at 3.178766 -2.054865 -2.263232 ESP Fit Center 2160 is at 3.021194 -1.674451 -2.263232 ESP Fit Center 2161 is at 2.770532 -1.347782 -2.263232 ESP Fit Center 2162 is at 2.443863 -1.097121 -2.263232 ESP Fit Center 2163 is at 2.063449 -0.939548 -2.263232 ESP Fit Center 2164 is at 0.289237 -3.251747 -2.263232 ESP Fit Center 2165 is at 0.539898 -3.578416 -2.263232 ESP Fit Center 2166 is at 0.866567 -3.829078 -2.263232 ESP Fit Center 2167 is at 1.246981 -3.986650 -2.263232 ESP Fit Center 2168 is at 1.655215 -4.040395 -2.263232 ESP Fit Center 2169 is at 2.063449 -3.986650 -2.263232 ESP Fit Center 2170 is at 2.443863 -3.829078 -2.263232 ESP Fit Center 2171 is at 2.770532 -3.578416 -2.263232 ESP Fit Center 2172 is at 3.021194 -3.251747 -2.263232 ESP Fit Center 2173 is at 3.178766 -2.871333 -2.263232 ESP Fit Center 2174 is at 2.870090 -2.463099 -2.472477 ESP Fit Center 2175 is at 2.796824 -2.047588 -2.472477 ESP Fit Center 2176 is at 2.585863 -1.682193 -2.472477 ESP Fit Center 2177 is at 2.262652 -1.410987 -2.472477 ESP Fit Center 2178 is at 1.866176 -1.266681 -2.472477 ESP Fit Center 2179 is at 1.444254 -1.266681 -2.472477 ESP Fit Center 2180 is at 1.047778 -1.410987 -2.472477 ESP Fit Center 2181 is at 0.724567 -1.682193 -2.472477 ESP Fit Center 2182 is at 0.513607 -2.047588 -2.472477 ESP Fit Center 2183 is at 0.440341 -2.463099 -2.472477 ESP Fit Center 2184 is at 0.513607 -2.878611 -2.472477 ESP Fit Center 2185 is at 0.724567 -3.244005 -2.472477 ESP Fit Center 2186 is at 1.047778 -3.515211 -2.472477 ESP Fit Center 2187 is at 1.444254 -3.659517 -2.472477 ESP Fit Center 2188 is at 1.866176 -3.659517 -2.472477 ESP Fit Center 2189 is at 2.262652 -3.515211 -2.472477 ESP Fit Center 2190 is at 2.585863 -3.244005 -2.472477 ESP Fit Center 2191 is at 2.796824 -2.878611 -2.472477 ESP Fit Center 2192 is at 2.480530 -2.463099 -2.625368 ESP Fit Center 2193 is at 2.369958 -2.050442 -2.625368 ESP Fit Center 2194 is at 2.067872 -1.748356 -2.625368 ESP Fit Center 2195 is at 1.655215 -1.637785 -2.625368 ESP Fit Center 2196 is at 1.242558 -1.748356 -2.625368 ESP Fit Center 2197 is at 0.940472 -2.050442 -2.625368 ESP Fit Center 2198 is at 0.829901 -2.463099 -2.625368 ESP Fit Center 2199 is at 0.940472 -2.875756 -2.625368 ESP Fit Center 2200 is at 1.242558 -3.177842 -2.625368 ESP Fit Center 2201 is at 1.655215 -3.288414 -2.625368 ESP Fit Center 2202 is at 2.067872 -3.177842 -2.625368 ESP Fit Center 2203 is at 2.369958 -2.875756 -2.625368 ESP Fit Center 2204 is at 2.072533 -2.463099 -2.718490 ESP Fit Center 2205 is at 1.863874 -2.101691 -2.718490 ESP Fit Center 2206 is at 1.446556 -2.101691 -2.718490 ESP Fit Center 2207 is at 1.237897 -2.463099 -2.718490 ESP Fit Center 2208 is at 1.446556 -2.824507 -2.718490 ESP Fit Center 2209 is at 1.863874 -2.824507 -2.718490 ESP Fit Center 2210 is at 1.655215 -2.463099 -2.749764 ESP Fit Center 2211 is at 0.076417 0.018469 2.174043 ESP Fit Center 2212 is at 0.278463 0.368423 2.065767 ESP Fit Center 2213 is at 0.787292 0.428893 -2.267956 ESP Fit Center 2214 is at 0.468039 -1.381683 -2.267956 ESP Fit Center 2215 is at 0.688887 -0.342452 -2.444758 ESP Fit Center 2216 is at 0.578915 0.067972 -2.444758 ESP Fit Center 2217 is at 0.278463 0.368423 -2.444758 ESP Fit Center 2218 is at -0.842837 0.067972 -2.444758 ESP Fit Center 2219 is at -0.131961 -1.163301 -2.444758 ESP Fit Center 2220 is at 0.278463 -1.053328 -2.444758 ESP Fit Center 2221 is at 0.578915 -0.752876 -2.444758 ESP Fit Center 2222 is at 0.284795 -0.342452 -2.553034 ESP Fit Center 2223 is at 0.076417 0.018469 -2.553034 ESP Fit Center 2224 is at -0.340339 0.018469 -2.553034 ESP Fit Center 2225 is at -0.548717 -0.342452 -2.553034 ESP Fit Center 2226 is at -0.340339 -0.703373 -2.553034 ESP Fit Center 2227 is at 0.076417 -0.703373 -2.553034 ESP Fit Center 2228 is at -0.131961 -0.342452 -2.589495 ESP Fit Center 2229 is at -0.487561 0.982114 2.147474 ESP Fit Center 2230 is at -0.070806 0.982114 2.111012 ESP Fit Center 2231 is at -0.279183 1.343035 2.111012 ESP Fit Center 2232 is at -0.695939 0.621193 2.111012 ESP Fit Center 2233 is at -0.279183 0.621193 2.111012 ESP Fit Center 2234 is at -0.897985 0.271238 2.002736 ESP Fit Center 2235 is at 0.223314 0.571690 2.002736 ESP Fit Center 2236 is at 0.640070 0.571690 -2.330987 ESP Fit Center 2237 is at 0.333287 0.982114 -2.507789 ESP Fit Center 2238 is at 0.223314 1.392538 -2.507789 ESP Fit Center 2239 is at -0.077137 1.692989 -2.507789 ESP Fit Center 2240 is at -0.487561 1.802962 -2.507789 ESP Fit Center 2241 is at -0.897985 0.271238 -2.507789 ESP Fit Center 2242 is at 0.223314 0.571690 -2.507789 ESP Fit Center 2243 is at -0.070806 0.982114 -2.616065 ESP Fit Center 2244 is at -0.279183 1.343035 -2.616065 ESP Fit Center 2245 is at -0.695939 1.343035 -2.616065 ESP Fit Center 2246 is at -0.904317 0.982114 -2.616065 ESP Fit Center 2247 is at -0.695939 0.621193 -2.616065 ESP Fit Center 2248 is at -0.279183 0.621193 -2.616065 ESP Fit Center 2249 is at -0.487561 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ESP Fit Center 2287 is at 1.254210 1.948195 -2.425128 ESP Fit Center 2288 is at 1.144238 2.358620 -2.425128 ESP Fit Center 2289 is at 0.843786 2.659071 -2.425128 ESP Fit Center 2290 is at 0.433362 2.769044 -2.425128 ESP Fit Center 2291 is at 0.022938 2.659071 -2.425128 ESP Fit Center 2292 is at -0.277513 2.358620 -2.425128 ESP Fit Center 2293 is at 0.843786 1.237320 -2.425128 ESP Fit Center 2294 is at 1.144238 1.537771 -2.425128 ESP Fit Center 2295 is at 0.850118 1.948195 -2.533404 ESP Fit Center 2296 is at 0.641740 2.309116 -2.533404 ESP Fit Center 2297 is at 0.224984 2.309116 -2.533404 ESP Fit Center 2298 is at 0.016606 1.948195 -2.533404 ESP Fit Center 2299 is at 0.224984 1.587274 -2.533404 ESP Fit Center 2300 is at 0.641740 1.587274 -2.533404 ESP Fit Center 2301 is at 0.433362 1.948195 -2.569866 ESP Fit Center 2302 is at -1.173000 -4.058795 -0.430064 ESP Fit Center 2303 is at -0.756471 -4.105726 -0.430064 ESP Fit Center 2304 is at -2.150383 -3.554247 -0.857304 ESP Fit Center 2305 is at -1.833950 -3.823027 -0.857304 ESP Fit Center 2306 is at -1.467136 -4.017500 -0.857304 ESP Fit Center 2307 is at -1.067093 -4.128571 -0.857304 ESP Fit Center 2308 is at -0.652524 -4.151049 -0.857304 ESP Fit Center 2309 is at -2.219952 -3.400951 -1.284544 ESP Fit Center 2310 is at -1.923558 -3.697345 -1.284544 ESP Fit Center 2311 is at -1.568642 -3.920354 -1.284544 ESP Fit Center 2312 is at -1.173000 -4.058795 -1.284544 ESP Fit Center 2313 is at -0.756471 -4.105726 -1.284544 ESP Fit Center 2314 is at -0.339943 -4.058795 -1.284544 ESP Fit Center 2315 is at -2.051290 -3.380974 -1.690361 ESP Fit Center 2316 is at -1.739144 -3.657512 -1.690361 ESP Fit Center 2317 is at -1.369888 -3.851312 -1.690361 ESP Fit Center 2318 is at -0.964983 -3.951112 -1.690361 ESP Fit Center 2319 is at -0.547960 -3.951112 -1.690361 ESP Fit Center 2320 is at -0.143054 -3.851312 -1.690361 ESP Fit Center 2321 is at -2.019291 -3.045429 -2.054405 ESP Fit Center 2322 is at -1.739493 -3.368333 -2.054405 ESP Fit Center 2323 is at -1.380058 -3.599328 -2.054405 ESP Fit Center 2324 is at -0.970102 -3.719702 -2.054405 ESP Fit Center 2325 is at -0.542840 -3.719702 -2.054405 ESP Fit Center 2326 is at -0.132885 -3.599328 -2.054405 ESP Fit Center 2327 is at 0.368435 -1.824432 -2.358421 ESP Fit Center 2328 is at 0.160561 -1.464383 -2.358421 ESP Fit Center 2329 is at -1.881378 -2.643297 -2.358421 ESP Fit Center 2330 is at -1.673503 -3.003346 -2.358421 ESP Fit Center 2331 is at -1.355021 -3.270584 -2.358421 ESP Fit Center 2332 is at -0.964346 -3.412778 -2.358421 ESP Fit Center 2333 is at -0.548597 -3.412778 -2.358421 ESP Fit Center 2334 is at -0.157921 -3.270584 -2.358421 ESP Fit Center 2335 is at 0.160561 -3.003346 -2.358421 ESP Fit Center 2336 is at 0.076586 -2.233865 -2.587164 ESP Fit Center 2337 is at -0.035023 -1.817336 -2.587164 ESP Fit Center 2338 is at -0.339943 -1.512416 -2.587164 ESP Fit Center 2339 is at -1.477920 -2.650393 -2.587164 ESP Fit Center 2340 is at -1.173000 -2.955313 -2.587164 ESP Fit Center 2341 is at -0.756471 -3.066921 -2.587164 ESP Fit Center 2342 is at -0.339943 -2.955313 -2.587164 ESP Fit Center 2343 is at -0.035023 -2.650393 -2.587164 ESP Fit Center 2344 is at -0.329231 -2.233865 -2.729166 ESP Fit Center 2345 is at -0.542851 -1.863864 -2.729166 ESP Fit Center 2346 is at -0.970091 -1.863864 -2.729166 ESP Fit Center 2347 is at -1.183711 -2.233865 -2.729166 ESP Fit Center 2348 is at -0.970091 -2.603865 -2.729166 ESP Fit Center 2349 is at -0.542851 -2.603865 -2.729166 ESP Fit Center 2350 is at -0.756471 -2.233865 -2.777304 ESP Fit Center 2351 is at -2.165017 -3.310930 2.943554 ESP Fit Center 2352 is at -2.672845 -3.357457 2.801553 ESP Fit Center 2353 is at -2.367925 -3.662377 2.801553 ESP Fit Center 2354 is at -1.951397 -3.773985 2.801553 ESP Fit Center 2355 is at -1.534869 -3.662377 2.801553 ESP Fit Center 2356 is at -3.076303 -3.350361 2.572809 ESP Fit Center 2357 is at -2.868429 -3.710410 2.572809 ESP Fit Center 2358 is at -2.549947 -3.977648 2.572809 ESP Fit Center 2359 is at -2.159271 -4.119842 2.572809 ESP Fit Center 2360 is at -1.743523 -4.119842 2.572809 ESP Fit Center 2361 is at -1.352847 -3.977648 2.572809 ESP Fit Center 2362 is at -1.034365 -3.710410 2.572809 ESP Fit Center 2363 is at -3.391708 -3.363842 2.268793 ESP Fit Center 2364 is at -3.214217 -3.752493 2.268793 ESP Fit Center 2365 is at -2.934419 -4.075397 2.268793 ESP Fit Center 2366 is at -2.574983 -4.306392 2.268793 ESP Fit Center 2367 is at -2.165028 -4.426766 2.268793 ESP Fit Center 2368 is at -1.737766 -4.426766 2.268793 ESP Fit Center 2369 is at -1.327811 -4.306392 2.268793 ESP Fit Center 2370 is at -0.968375 -4.075397 2.268793 ESP Fit Center 2371 is at -0.688577 -3.752493 2.268793 ESP Fit Center 2372 is at -3.681257 -2.940929 1.904749 ESP Fit Center 2373 is at -3.630991 -3.354911 1.904749 ESP Fit Center 2374 is at -3.483112 -3.744835 1.904749 ESP Fit Center 2375 is at -3.246216 -4.088038 1.904749 ESP Fit Center 2376 is at -2.934070 -4.364576 1.904749 ESP Fit Center 2377 is at -2.564814 -4.558376 1.904749 ESP Fit Center 2378 is at -2.159909 -4.658176 1.904749 ESP Fit Center 2379 is at -1.742885 -4.658176 1.904749 ESP Fit Center 2380 is at -1.337980 -4.558376 1.904749 ESP Fit Center 2381 is at -0.968724 -4.364576 1.904749 ESP Fit Center 2382 is at -0.656578 -4.088038 1.904749 ESP Fit Center 2383 is at -0.419682 -3.744835 1.904749 ESP Fit Center 2384 is at -3.823259 -2.940929 1.498933 ESP Fit Center 2385 is at -3.776327 -3.357457 1.498933 ESP Fit Center 2386 is at -3.637886 -3.753099 1.498933 ESP Fit Center 2387 is at -3.414877 -4.108015 1.498933 ESP Fit Center 2388 is at -3.118484 -4.404409 1.498933 ESP Fit Center 2389 is at -2.763567 -4.627418 1.498933 ESP Fit Center 2390 is at -2.367925 -4.765859 1.498933 ESP Fit Center 2391 is at -1.951397 -4.812790 1.498933 ESP Fit Center 2392 is at -1.534869 -4.765859 1.498933 ESP Fit Center 2393 is at -1.139227 -4.627418 1.498933 ESP Fit Center 2394 is at -0.784310 -4.404409 1.498933 ESP Fit Center 2395 is at 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-4.627418 0.644452 ESP Fit Center 2414 is at -2.367925 -4.765859 0.644452 ESP Fit Center 2415 is at -1.951397 -4.812790 0.644452 ESP Fit Center 2416 is at -1.534869 -4.765859 0.644452 ESP Fit Center 2417 is at -1.139227 -4.627418 0.644452 ESP Fit Center 2418 is at -0.784310 -4.404409 0.644452 ESP Fit Center 2419 is at -3.681257 -2.940929 0.238636 ESP Fit Center 2420 is at -3.630991 -3.354911 0.238636 ESP Fit Center 2421 is at -3.483112 -3.744835 0.238636 ESP Fit Center 2422 is at -3.246216 -4.088038 0.238636 ESP Fit Center 2423 is at -2.934070 -4.364576 0.238636 ESP Fit Center 2424 is at -2.564814 -4.558376 0.238636 ESP Fit Center 2425 is at -2.159909 -4.658176 0.238636 ESP Fit Center 2426 is at -1.742885 -4.658176 0.238636 ESP Fit Center 2427 is at -1.337980 -4.558376 0.238636 ESP Fit Center 2428 is at -0.968724 -4.364576 0.238636 ESP Fit Center 2429 is at -0.656578 -4.088038 0.238636 ESP Fit Center 2430 is at -3.391708 -3.363842 -0.125408 ESP Fit Center 2431 is at -3.214217 -3.752493 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-2.096764 3.747829 ESP Fit Center 2450 is at -0.755337 -2.096764 3.747829 ESP Fit Center 2451 is at -0.135901 -1.726764 3.605827 ESP Fit Center 2452 is at -0.247509 -1.310235 3.605827 ESP Fit Center 2453 is at -0.552429 -1.005315 3.605827 ESP Fit Center 2454 is at -0.968957 -0.893707 3.605827 ESP Fit Center 2455 is at -1.385486 -1.005315 3.605827 ESP Fit Center 2456 is at -1.690406 -1.310235 3.605827 ESP Fit Center 2457 is at -1.802014 -1.726764 3.605827 ESP Fit Center 2458 is at -1.690406 -2.143292 3.605827 ESP Fit Center 2459 is at -1.385486 -2.448212 3.605827 ESP Fit Center 2460 is at -0.968957 -2.559820 3.605827 ESP Fit Center 2461 is at -0.552429 -2.448212 3.605827 ESP Fit Center 2462 is at -0.247509 -2.143292 3.605827 ESP Fit Center 2463 is at 0.228143 -1.726764 3.377084 ESP Fit Center 2464 is at 0.155949 -1.317331 3.377084 ESP Fit Center 2465 is at -0.051925 -0.957282 3.377084 ESP Fit Center 2466 is at -0.370407 -0.690044 3.377084 ESP Fit Center 2467 is at -0.761083 -0.547850 3.377084 ESP Fit Center 2468 is at -1.176832 -0.547850 3.377084 ESP Fit Center 2469 is at -1.567508 -0.690044 3.377084 ESP Fit Center 2470 is at -1.885990 -0.957282 3.377084 ESP Fit Center 2471 is at -2.093864 -1.317331 3.377084 ESP Fit Center 2472 is at -1.567508 -2.763483 3.377084 ESP Fit Center 2473 is at -1.176832 -2.905677 3.377084 ESP Fit Center 2474 is at -0.761083 -2.905677 3.377084 ESP Fit Center 2475 is at -0.370407 -2.763483 3.377084 ESP Fit Center 2476 is at -0.051925 -2.496245 3.377084 ESP Fit Center 2477 is at 0.155949 -2.136196 3.377084 ESP Fit Center 2478 is at 0.532159 -1.726764 3.073068 ESP Fit Center 2479 is at 0.471353 -1.303850 3.073068 ESP Fit Center 2480 is at 0.293862 -0.915199 3.073068 ESP Fit Center 2481 is at 0.014065 -0.592295 3.073068 ESP Fit Center 2482 is at -0.345371 -0.361300 3.073068 ESP Fit Center 2483 is at -0.755326 -0.240926 3.073068 ESP Fit Center 2484 is at -1.182589 -0.240926 3.073068 ESP Fit Center 2485 is at -1.592544 -0.361300 3.073068 ESP Fit Center 2486 is at -1.182589 -3.212601 3.073068 ESP Fit Center 2487 is at -0.755326 -3.212601 3.073068 ESP Fit Center 2488 is at -0.345371 -3.092227 3.073068 ESP Fit Center 2489 is at 0.014065 -2.861232 3.073068 ESP Fit Center 2490 is at 0.293862 -2.538328 3.073068 ESP Fit Center 2491 is at 0.471353 -2.149677 3.073068 ESP Fit Center 2492 is at 0.760903 -1.726764 2.709024 ESP Fit Center 2493 is at 0.710636 -1.312781 2.709024 ESP Fit Center 2494 is at 0.562758 -0.922857 2.709024 ESP Fit Center 2495 is at 0.325862 -0.579654 2.709024 ESP Fit Center 2496 is at 0.013715 -0.303116 2.709024 ESP Fit Center 2497 is at -0.355541 -0.109316 2.709024 ESP Fit Center 2498 is at -0.760446 -0.009516 2.709024 ESP Fit Center 2499 is at -1.177469 -0.009516 2.709024 ESP Fit Center 2500 is at -1.582374 -0.109316 2.709024 ESP Fit Center 2501 is at -0.760446 -3.444011 2.709024 ESP Fit Center 2502 is at -0.355541 -3.344211 2.709024 ESP Fit Center 2503 is at 0.013715 -3.150411 2.709024 ESP Fit Center 2504 is 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ESP Fit Center 2523 is at 3.998583 -0.765908 1.658410 ESP Fit Center 2524 is at 4.206457 -0.405859 1.658410 ESP Fit Center 2525 is at 4.582667 0.003574 1.354394 ESP Fit Center 2526 is at 4.521861 0.426487 1.354394 ESP Fit Center 2527 is at 4.344370 0.815138 1.354394 ESP Fit Center 2528 is at 4.064573 1.138042 1.354394 ESP Fit Center 2529 is at 4.064573 -1.130894 1.354394 ESP Fit Center 2530 is at 4.344370 -0.807991 1.354394 ESP Fit Center 2531 is at 4.521861 -0.419340 1.354394 ESP Fit Center 2532 is at 4.811411 0.003574 0.990350 ESP Fit Center 2533 is at 4.761144 0.417556 0.990350 ESP Fit Center 2534 is at 4.613266 0.807480 0.990350 ESP Fit Center 2535 is at 4.376370 1.150683 0.990350 ESP Fit Center 2536 is at 4.376370 -1.143536 0.990350 ESP Fit Center 2537 is at 4.613266 -0.800333 0.990350 ESP Fit Center 2538 is at 4.761144 -0.410409 0.990350 ESP Fit Center 2539 is at 4.953412 0.003574 0.584534 ESP Fit Center 2540 is at 4.906481 0.420102 0.584534 ESP Fit Center 2541 is at 4.768040 0.815744 0.584534 ESP Fit Center 2542 is at 4.545031 1.170660 0.584534 ESP Fit Center 2543 is at 4.248637 -1.459907 0.584534 ESP Fit Center 2544 is at 4.545031 -1.163513 0.584534 ESP Fit Center 2545 is at 4.768040 -0.808597 0.584534 ESP Fit Center 2546 is at 4.906481 -0.412955 0.584534 ESP Fit Center 2547 is at 5.001551 0.003574 0.157293 ESP Fit Center 2548 is at 4.956662 0.416317 0.157293 ESP Fit Center 2549 is at 4.824096 0.809761 0.157293 ESP Fit Center 2550 is at 4.610049 1.165508 0.157293 ESP Fit Center 2551 is at 4.324532 -1.459778 0.157293 ESP Fit Center 2552 is at 4.610049 -1.158361 0.157293 ESP Fit Center 2553 is at 4.824096 -0.802613 0.157293 ESP Fit Center 2554 is at 4.956662 -0.409170 0.157293 ESP Fit Center 2555 is at 4.953412 0.003574 -0.269947 ESP Fit Center 2556 is at 4.906481 0.420102 -0.269947 ESP Fit Center 2557 is at 4.768040 0.815744 -0.269947 ESP Fit Center 2558 is at 4.545031 -1.163513 -0.269947 ESP Fit Center 2559 is at 4.768040 -0.808597 -0.269947 ESP Fit Center 2560 is at 4.906481 -0.412955 -0.269947 ESP Fit Center 2561 is at 4.811411 0.003574 -0.675763 ESP Fit Center 2562 is at 4.761144 0.417556 -0.675763 ESP Fit Center 2563 is at 4.613266 0.807480 -0.675763 ESP Fit Center 2564 is at 4.376370 -1.143536 -0.675763 ESP Fit Center 2565 is at 4.613266 -0.800333 -0.675763 ESP Fit Center 2566 is at 4.761144 -0.410409 -0.675763 ESP Fit Center 2567 is at 4.582667 0.003574 -1.039807 ESP Fit Center 2568 is at 4.521861 0.426487 -1.039807 ESP Fit Center 2569 is at 4.344370 0.815138 -1.039807 ESP Fit Center 2570 is at 4.064573 -1.130894 -1.039807 ESP Fit Center 2571 is at 4.344370 -0.807991 -1.039807 ESP Fit Center 2572 is at 4.521861 -0.419340 -1.039807 ESP Fit Center 2573 is at 4.278651 0.003574 -1.343823 ESP Fit Center 2574 is at 4.206457 0.413006 -1.343823 ESP Fit Center 2575 is at 3.998583 0.773055 -1.343823 ESP Fit Center 2576 is at 3.680101 -1.033146 -1.343823 ESP Fit Center 2577 is at 3.998583 -0.765908 -1.343823 ESP Fit Center 2578 is at 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0.981763 ESP Fit Center 2597 is at 0.830297 4.317812 0.981763 ESP Fit Center 2598 is at 0.420342 4.438185 0.981763 ESP Fit Center 2599 is at -0.006920 4.438185 0.981763 ESP Fit Center 2600 is at 1.189383 4.375995 0.617719 ESP Fit Center 2601 is at 0.820128 4.569795 0.617719 ESP Fit Center 2602 is at 0.415222 4.669596 0.617719 ESP Fit Center 2603 is at -0.001801 4.669596 0.617719 ESP Fit Center 2604 is at -0.406706 4.569795 0.617719 ESP Fit Center 2605 is at 1.373797 4.415828 0.211903 ESP Fit Center 2606 is at 1.018881 4.638837 0.211903 ESP Fit Center 2607 is at 0.623239 4.777278 0.211903 ESP Fit Center 2608 is at 0.206711 4.824210 0.211903 ESP Fit Center 2609 is at -0.209818 4.777278 0.211903 ESP Fit Center 2610 is at -0.605460 4.638837 0.211903 ESP Fit Center 2611 is at 1.449692 4.415699 -0.215337 ESP Fit Center 2612 is at 1.106055 4.648691 -0.215337 ESP Fit Center 2613 is at 0.720365 4.802364 -0.215337 ESP Fit Center 2614 is at 0.310657 4.869532 -0.215337 ESP Fit Center 2615 is at 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Center 2652 is at -2.588294 -1.313150 3.230233 ESP Fit Center 2653 is at -2.374674 -0.943149 3.182095 ESP Fit Center 2654 is at -2.801914 -0.943149 3.182095 ESP Fit Center 2655 is at -3.015534 -1.313150 3.182095 ESP Fit Center 2656 is at -2.171765 -0.591701 3.040093 ESP Fit Center 2657 is at -2.588294 -0.480093 3.040093 ESP Fit Center 2658 is at -3.004822 -0.591701 3.040093 ESP Fit Center 2659 is at -3.309742 -0.896621 3.040093 ESP Fit Center 2660 is at -3.421350 -1.313150 3.040093 ESP Fit Center 2661 is at -3.309742 -1.729678 3.040093 ESP Fit Center 2662 is at -2.380419 -0.134236 2.811350 ESP Fit Center 2663 is at -2.796168 -0.134236 2.811350 ESP Fit Center 2664 is at -3.186844 -0.276430 2.811350 ESP Fit Center 2665 is at -3.505326 -0.543668 2.811350 ESP Fit Center 2666 is at -3.713200 -0.903717 2.811350 ESP Fit Center 2667 is at -3.785394 -1.313150 2.811350 ESP Fit Center 2668 is at -3.713200 -1.722582 2.811350 ESP Fit Center 2669 is at -3.505326 -2.082631 2.811350 ESP Fit Center 2670 is at -3.211880 0.052314 2.507334 ESP Fit Center 2671 is at -3.571316 -0.178682 2.507334 ESP Fit Center 2672 is at -3.851113 -0.501585 2.507334 ESP Fit Center 2673 is at -4.028604 -0.890236 2.507334 ESP Fit Center 2674 is at -4.089410 -1.313150 2.507334 ESP Fit Center 2675 is at -4.028604 -1.736063 2.507334 ESP Fit Center 2676 is at -3.851113 -2.124715 2.507334 ESP Fit Center 2677 is at -3.571316 -2.447618 2.507334 ESP Fit Center 2678 is at -3.570966 0.110497 2.143290 ESP Fit Center 2679 is at -3.883113 -0.166040 2.143290 ESP Fit Center 2680 is at -4.120009 -0.509244 2.143290 ESP Fit Center 2681 is at -4.267887 -0.899167 2.143290 ESP Fit Center 2682 is at -4.318154 -1.313150 2.143290 ESP Fit Center 2683 is at -4.267887 -1.727132 2.143290 ESP Fit Center 2684 is at -4.120009 -2.117056 2.143290 ESP Fit Center 2685 is at -3.883113 -2.460259 2.143290 ESP Fit Center 2686 is at -3.755380 0.150331 1.737473 ESP Fit Center 2687 is at -4.051774 -0.146063 1.737473 ESP Fit Center 2688 is at 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2760 is at -4.456453 -2.815345 -1.557070 ESP Fit Center 2761 is at -4.160060 -3.111739 -1.557070 ESP Fit Center 2762 is at -3.805143 -3.334748 -1.557070 ESP Fit Center 2763 is at -3.409501 -3.473189 -1.557070 ESP Fit Center 2764 is at -2.992973 -3.520120 -1.557070 ESP Fit Center 2765 is at -2.576445 -3.473189 -1.557070 ESP Fit Center 2766 is at -2.180803 -3.334748 -1.557070 ESP Fit Center 2767 is at -4.287792 -0.501149 -1.962887 ESP Fit Center 2768 is at -4.524688 -0.844352 -1.962887 ESP Fit Center 2769 is at -4.672567 -1.234276 -1.962887 ESP Fit Center 2770 is at -4.722833 -1.648259 -1.962887 ESP Fit Center 2771 is at -4.672567 -2.062241 -1.962887 ESP Fit Center 2772 is at -4.524688 -2.452165 -1.962887 ESP Fit Center 2773 is at -4.287792 -2.795368 -1.962887 ESP Fit Center 2774 is at -3.975646 -3.071906 -1.962887 ESP Fit Center 2775 is at -3.606390 -3.265706 -1.962887 ESP Fit Center 2776 is at -3.201485 -3.365506 -1.962887 ESP Fit Center 2777 is at -2.784461 -3.365506 -1.962887 ESP Fit Center 2778 is at -2.379556 -3.265706 -1.962887 ESP Fit Center 2779 is at -4.255793 -0.836694 -2.326930 ESP Fit Center 2780 is at -4.433284 -1.225345 -2.326930 ESP Fit Center 2781 is at -4.494090 -1.648259 -2.326930 ESP Fit Center 2782 is at -4.433284 -2.071172 -2.326930 ESP Fit Center 2783 is at -4.255793 -2.459823 -2.326930 ESP Fit Center 2784 is at -3.975995 -2.782727 -2.326930 ESP Fit Center 2785 is at -3.616559 -3.013722 -2.326930 ESP Fit Center 2786 is at -3.206604 -3.134096 -2.326930 ESP Fit Center 2787 is at -2.779342 -3.134096 -2.326930 ESP Fit Center 2788 is at -2.369387 -3.013722 -2.326930 ESP Fit Center 2789 is at -2.009951 -2.782727 -2.326930 ESP Fit Center 2790 is at -3.910005 -0.878777 -2.630946 ESP Fit Center 2791 is at -4.117879 -1.238826 -2.630946 ESP Fit Center 2792 is at -4.190073 -1.648259 -2.630946 ESP Fit Center 2793 is at -4.117879 -2.057691 -2.630946 ESP Fit Center 2794 is at -3.910005 -2.417740 -2.630946 ESP Fit Center 2795 is at -3.591523 -2.684978 -2.630946 ESP Fit Center 2796 is at -3.200847 -2.827172 -2.630946 ESP Fit Center 2797 is at -2.785099 -2.827172 -2.630946 ESP Fit Center 2798 is at -2.394423 -2.684978 -2.630946 ESP Fit Center 2799 is at -3.714421 -1.231730 -2.859690 ESP Fit Center 2800 is at -3.826030 -1.648259 -2.859690 ESP Fit Center 2801 is at -3.714421 -2.064787 -2.859690 ESP Fit Center 2802 is at -3.409501 -2.369707 -2.859690 ESP Fit Center 2803 is at -2.992973 -2.481315 -2.859690 ESP Fit Center 2804 is at -2.576445 -2.369707 -2.859690 ESP Fit Center 2805 is at -3.420213 -1.648259 -3.001691 ESP Fit Center 2806 is at -3.206593 -2.018259 -3.001691 ESP Fit Center 2807 is at -2.779353 -2.018259 -3.001691 ESP Fit Center 2808 is at -2.992973 -1.648259 -3.049830 ESP Fit Center 2809 is at -4.075933 0.454709 0.727134 ESP Fit Center 2810 is at -4.015128 0.031796 0.727134 ESP Fit Center 2811 is at -4.304677 0.454709 0.363091 ESP Fit Center 2812 is at -4.254411 0.040727 0.363091 ESP Fit Center 2813 is at -4.106532 -0.349197 0.363091 ESP Fit Center 2814 is at -4.399747 0.871238 -0.042726 ESP Fit Center 2815 is at -4.446679 0.454709 -0.042726 ESP Fit Center 2816 is at -4.399747 0.038181 -0.042726 ESP Fit Center 2817 is at -4.261306 -0.357461 -0.042726 ESP Fit Center 2818 is at -4.394311 1.067768 -0.469966 ESP Fit Center 2819 is at -4.483562 0.662298 -0.469966 ESP Fit Center 2820 is at -4.483562 0.247121 -0.469966 ESP Fit Center 2821 is at -4.394311 -0.158350 -0.469966 ESP Fit Center 2822 is at -4.399747 0.871238 -0.897206 ESP Fit Center 2823 is at -4.446679 0.454709 -0.897206 ESP Fit Center 2824 is at -4.399747 0.038181 -0.897206 ESP Fit Center 2825 is at -4.254411 0.868692 -1.303023 ESP Fit Center 2826 is at -4.304677 0.454709 -1.303023 ESP Fit Center 2827 is at -4.015128 0.877623 -1.667067 ESP Fit Center 2828 is at -4.075933 0.454709 -1.667067 ESP Fit Center 2829 is at -1.198519 3.628595 -1.339887 ESP Fit Center 2830 is at -1.584209 3.782268 -1.339887 ESP Fit Center 2831 is at -1.993916 3.849436 -1.339887 ESP Fit Center 2832 is at -2.408485 3.826959 -1.339887 ESP Fit Center 2833 is at -2.808528 3.715887 -1.339887 ESP Fit Center 2834 is at -3.175342 3.521415 -1.339887 ESP Fit Center 2835 is at -3.491774 3.252635 -1.339887 ESP Fit Center 2836 is at -3.743029 2.922115 -1.339887 ESP Fit Center 2837 is at -3.917357 2.545311 -1.339887 ESP Fit Center 2838 is at -0.930777 3.395732 -1.767127 ESP Fit Center 2839 is at -1.285693 3.618741 -1.767127 ESP Fit Center 2840 is at -1.681335 3.757182 -1.767127 ESP Fit Center 2841 is at -2.097863 3.804114 -1.767127 ESP Fit Center 2842 is at -2.514392 3.757182 -1.767127 ESP Fit Center 2843 is at -2.910033 3.618741 -1.767127 ESP Fit Center 2844 is at -3.264950 3.395732 -1.767127 ESP Fit Center 2845 is at -3.561343 3.099339 -1.767127 ESP Fit Center 2846 is at -3.784352 2.744422 -1.767127 ESP Fit Center 2847 is at -3.922793 2.348780 -1.767127 ESP Fit Center 2848 is at -3.969725 1.932252 -1.767127 ESP Fit Center 2849 is at -0.803044 3.079362 -2.172944 ESP Fit Center 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Center 2923 is at -1.104867 3.015311 2.617700 ESP Fit Center 2924 is at -2.528248 3.752847 2.617700 ESP Fit Center 2925 is at -2.939587 3.667370 2.617700 ESP Fit Center 2926 is at -3.312610 3.474085 2.617700 ESP Fit Center 2927 is at -3.619653 3.187327 2.617700 ESP Fit Center 2928 is at -3.837944 2.828363 2.617700 ESP Fit Center 2929 is at -3.951293 2.423816 2.617700 ESP Fit Center 2930 is at -3.951293 2.003691 2.617700 ESP Fit Center 2931 is at -0.634022 2.637742 2.321884 ESP Fit Center 2932 is at -2.950261 3.975024 2.321884 ESP Fit Center 2933 is at -3.342224 3.805947 2.321884 ESP Fit Center 2934 is at -3.684631 3.551035 2.321884 ESP Fit Center 2935 is at -4.150602 1.584947 2.321884 ESP Fit Center 2936 is at -2.943943 4.225864 1.979194 ESP Fit Center 2937 is at -3.338313 4.079805 1.979194 ESP Fit Center 2938 is at -4.240266 1.205072 1.979194 ESP Fit Center 2939 is at -3.160595 4.344978 1.600042 ESP Fit Center 2940 is at -3.550602 4.166868 1.600042 ESP Fit Center 2941 is at -4.195727 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ESP Fit Center 2960 is at -4.071075 3.518688 2.161261 ESP Fit Center 2961 is at -4.389556 3.251450 2.161261 ESP Fit Center 2962 is at -4.597431 2.891401 2.161261 ESP Fit Center 2963 is at -4.669625 2.481969 2.161261 ESP Fit Center 2964 is at -4.597431 2.072536 2.161261 ESP Fit Center 2965 is at -4.389556 1.712487 2.161261 ESP Fit Center 2966 is at -3.686156 3.967806 1.857245 ESP Fit Center 2967 is at -4.096111 3.847432 1.857245 ESP Fit Center 2968 is at -4.455547 3.616437 1.857245 ESP Fit Center 2969 is at -4.735344 3.293534 1.857245 ESP Fit Center 2970 is at -4.912835 2.904882 1.857245 ESP Fit Center 2971 is at -4.973641 2.481969 1.857245 ESP Fit Center 2972 is at -4.912835 2.059055 1.857245 ESP Fit Center 2973 is at -4.735344 1.670404 1.857245 ESP Fit Center 2974 is at -4.455547 1.347501 1.857245 ESP Fit Center 2975 is at -3.681036 4.199216 1.493202 ESP Fit Center 2976 is at -4.085941 4.099416 1.493202 ESP Fit Center 2977 is at -4.455197 3.905616 1.493202 ESP Fit Center 2978 is at 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ESP Fit Center 2997 is at -4.639611 1.018488 1.087385 ESP Fit Center 2998 is at -3.783146 4.376676 0.660145 ESP Fit Center 2999 is at -4.183190 4.265604 0.660145 ESP Fit Center 3000 is at -4.550004 4.071132 0.660145 ESP Fit Center 3001 is at -4.866436 3.802352 0.660145 ESP Fit Center 3002 is at -5.117690 3.471832 0.660145 ESP Fit Center 3003 is at -5.292018 3.095028 0.660145 ESP Fit Center 3004 is at -5.381269 2.689557 0.660145 ESP Fit Center 3005 is at -5.381269 2.274380 0.660145 ESP Fit Center 3006 is at -5.292018 1.868910 0.660145 ESP Fit Center 3007 is at -5.117690 1.492105 0.660145 ESP Fit Center 3008 is at -4.866436 1.161586 0.660145 ESP Fit Center 3009 is at -4.550004 0.892806 0.660145 ESP Fit Center 3010 is at -3.472524 4.353830 0.232905 ESP Fit Center 3011 is at -3.889053 4.306899 0.232905 ESP Fit Center 3012 is at -4.284695 4.168458 0.232905 ESP Fit Center 3013 is at -4.639611 3.945449 0.232905 ESP Fit Center 3014 is at -4.936005 3.649055 0.232905 ESP Fit Center 3015 is at 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3.967806 -0.536955 ESP Fit Center 3034 is at -4.096111 3.847432 -0.536955 ESP Fit Center 3035 is at -4.455547 3.616437 -0.536955 ESP Fit Center 3036 is at -4.735344 3.293534 -0.536955 ESP Fit Center 3037 is at -4.912835 2.904882 -0.536955 ESP Fit Center 3038 is at -4.973641 2.481969 -0.536955 ESP Fit Center 3039 is at -4.912835 2.059055 -0.536955 ESP Fit Center 3040 is at -4.735344 1.670404 -0.536955 ESP Fit Center 3041 is at -4.455547 1.347501 -0.536955 ESP Fit Center 3042 is at -3.680399 3.660883 -0.840971 ESP Fit Center 3043 is at -4.071075 3.518688 -0.840971 ESP Fit Center 3044 is at -4.389556 3.251450 -0.840971 ESP Fit Center 3045 is at -4.597431 2.891401 -0.840971 ESP Fit Center 3046 is at -4.669625 2.481969 -0.840971 ESP Fit Center 3047 is at -4.597431 2.072536 -0.840971 ESP Fit Center 3048 is at -4.389556 1.712487 -0.840971 ESP Fit Center 3049 is at -3.889053 3.203417 -1.069715 ESP Fit Center 3050 is at -4.193973 2.898497 -1.069715 ESP Fit Center 3051 is at -4.305581 2.481969 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3070 is at -1.196285 4.486136 2.026864 ESP Fit Center 3071 is at -1.606240 4.606510 2.026864 ESP Fit Center 3072 is at -2.033503 4.606510 2.026864 ESP Fit Center 3073 is at -2.443458 4.486136 2.026864 ESP Fit Center 3074 is at -2.802894 4.255140 2.026864 ESP Fit Center 3075 is at -0.379561 2.697759 2.026864 ESP Fit Center 3076 is at -0.140278 3.534655 1.662820 ESP Fit Center 3077 is at -0.288156 3.924578 1.662820 ESP Fit Center 3078 is at -0.525053 4.267782 1.662820 ESP Fit Center 3079 is at -0.837199 4.544319 1.662820 ESP Fit Center 3080 is at -1.206455 4.738120 1.662820 ESP Fit Center 3081 is at -1.611360 4.837920 1.662820 ESP Fit Center 3082 is at -2.028383 4.837920 1.662820 ESP Fit Center 3083 is at -2.433288 4.738120 1.662820 ESP Fit Center 3084 is at -2.802544 4.544319 1.662820 ESP Fit Center 3085 is at -0.356391 4.287759 1.257004 ESP Fit Center 3086 is at -0.652785 4.584153 1.257004 ESP Fit Center 3087 is at -1.007701 4.807161 1.257004 ESP Fit Center 3088 is at -1.403343 4.945602 1.257004 ESP Fit Center 3089 is at -1.819872 4.992534 1.257004 ESP Fit Center 3090 is at -2.236400 4.945602 1.257004 ESP Fit Center 3091 is at -2.632042 4.807161 1.257004 ESP Fit Center 3092 is at -2.986958 4.584153 1.257004 ESP Fit Center 3093 is at -0.576890 4.584023 0.829764 ESP Fit Center 3094 is at -0.920527 4.817015 0.829764 ESP Fit Center 3095 is at -1.306217 4.970688 0.829764 ESP Fit Center 3096 is at -1.715925 5.037856 0.829764 ESP Fit Center 3097 is at -2.130493 5.015379 0.829764 ESP Fit Center 3098 is at -2.530537 4.904308 0.829764 ESP Fit Center 3099 is at -2.897351 4.709835 0.829764 ESP Fit Center 3100 is at -0.652785 4.584153 0.402523 ESP Fit Center 3101 is at -1.007701 4.807161 0.402523 ESP Fit Center 3102 is at -1.403343 4.945602 0.402523 ESP Fit Center 3103 is at -1.819872 4.992534 0.402523 ESP Fit Center 3104 is at -2.236400 4.945602 0.402523 ESP Fit Center 3105 is at -2.632042 4.807161 0.402523 ESP Fit Center 3106 is at -2.986958 4.584153 0.402523 ESP Fit Center 3107 is at -1.206455 4.738120 -0.003293 ESP Fit Center 3108 is at -1.611360 4.837920 -0.003293 ESP Fit Center 3109 is at -2.028383 4.837920 -0.003293 ESP Fit Center 3110 is at -2.433288 4.738120 -0.003293 ESP Fit Center 3111 is at -2.802544 4.544319 -0.003293 ESP Fit Center 3112 is at -1.196285 4.486136 -0.367337 ESP Fit Center 3113 is at -1.606240 4.606510 -0.367337 ESP Fit Center 3114 is at -2.033503 4.606510 -0.367337 ESP Fit Center 3115 is at -2.443458 4.486136 -0.367337 ESP Fit Center 3116 is at -1.221321 4.157392 -0.671353 ESP Fit Center 3117 is at -1.611997 4.299586 -0.671353 ESP Fit Center 3118 is at -2.027746 4.299586 -0.671353 ESP Fit Center 3119 is at -2.418422 4.157392 -0.671353 ESP Fit Center 3120 is at -1.403343 3.842121 -0.900097 ESP Fit Center 3121 is at -1.819872 3.953729 -0.900097 ESP Fit Center 3122 is at -2.296383 1.643168 3.618788 ESP Fit Center 3123 is at -1.869143 1.643168 3.570650 ESP Fit Center 3124 is at -2.082763 2.013169 3.570650 ESP Fit Center 3125 is at -2.510003 2.013169 3.570650 ESP Fit Center 3126 is at -2.723624 1.643168 3.570650 ESP Fit Center 3127 is at -2.510003 1.273167 3.570650 ESP Fit Center 3128 is at -2.082763 1.273167 3.570650 ESP Fit Center 3129 is at -1.463327 1.643168 3.428648 ESP Fit Center 3130 is at -1.574935 2.059696 3.428648 ESP Fit Center 3131 is at -1.879855 2.364616 3.428648 ESP Fit Center 3132 is at -2.296383 2.476225 3.428648 ESP Fit Center 3133 is at -2.712912 2.364616 3.428648 ESP Fit Center 3134 is at -3.017832 2.059696 3.428648 ESP Fit Center 3135 is at -3.129440 1.643168 3.428648 ESP Fit Center 3136 is at -3.017832 1.226640 3.428648 ESP Fit Center 3137 is at -2.712912 0.921720 3.428648 ESP Fit Center 3138 is at -2.296383 0.810111 3.428648 ESP Fit Center 3139 is at -1.879855 0.921720 3.428648 ESP Fit Center 3140 is at -1.574935 1.226640 3.428648 ESP Fit Center 3141 is at -1.099283 1.643168 3.199905 ESP Fit Center 3142 is at -1.171477 2.052600 3.199905 ESP Fit Center 3143 is at -1.379351 2.412649 3.199905 ESP Fit Center 3144 is at -1.697833 2.679887 3.199905 ESP Fit Center 3145 is at -2.088509 2.822082 3.199905 ESP Fit Center 3146 is at -2.504258 2.822082 3.199905 ESP Fit Center 3147 is at -2.894934 2.679887 3.199905 ESP Fit Center 3148 is at -3.213415 2.412649 3.199905 ESP Fit Center 3149 is at -3.421290 2.052600 3.199905 ESP Fit Center 3150 is at -3.493484 1.643168 3.199905 ESP Fit Center 3151 is at -3.421290 1.233736 3.199905 ESP Fit Center 3152 is at -3.213415 0.873687 3.199905 ESP Fit Center 3153 is at -2.894934 0.606449 3.199905 ESP Fit Center 3154 is at -2.504258 0.464254 3.199905 ESP Fit Center 3155 is at -2.088509 0.464254 3.199905 ESP Fit Center 3156 is at -1.697833 0.606449 3.199905 ESP Fit Center 3157 is at -1.379351 0.873687 3.199905 ESP Fit Center 3158 is at -1.171477 1.233736 3.199905 ESP Fit Center 3159 is at -0.795267 1.643168 2.895889 ESP Fit Center 3160 is at -0.856073 2.066081 2.895889 ESP Fit Center 3161 is at -1.033564 2.454733 2.895889 ESP Fit Center 3162 is at -1.313361 2.777636 2.895889 ESP Fit Center 3163 is at -3.559203 2.454733 2.895889 ESP Fit Center 3164 is at -3.736694 2.066081 2.895889 ESP Fit Center 3165 is at -3.797500 1.643168 2.895889 ESP Fit Center 3166 is at -3.736694 1.220255 2.895889 ESP Fit Center 3167 is at -3.559203 0.831603 2.895889 ESP Fit Center 3168 is at -3.279406 0.508700 2.895889 ESP Fit Center 3169 is at -2.919970 0.277704 2.895889 ESP Fit Center 3170 is at -2.510014 0.157331 2.895889 ESP Fit Center 3171 is at -2.082752 0.157331 2.895889 ESP Fit Center 3172 is at -1.672797 0.277704 2.895889 ESP Fit Center 3173 is at -1.313361 0.508700 2.895889 ESP Fit Center 3174 is at -1.033564 0.831603 2.895889 ESP Fit Center 3175 is at -0.856073 1.220255 2.895889 ESP Fit Center 3176 is at -0.566523 1.643168 2.531845 ESP Fit Center 3177 is at -0.616790 2.057151 2.531845 ESP Fit Center 3178 is at -0.764668 2.447074 2.531845 ESP Fit Center 3179 is at -4.026244 1.643168 2.531845 ESP Fit Center 3180 is at -3.975977 1.229185 2.531845 ESP Fit Center 3181 is at -3.828099 0.839262 2.531845 ESP Fit Center 3182 is at -3.591202 0.496058 2.531845 ESP Fit Center 3183 is at -3.279056 0.219521 2.531845 ESP Fit Center 3184 is at -1.682966 0.025721 2.531845 ESP Fit Center 3185 is at -1.313711 0.219521 2.531845 ESP Fit Center 3186 is at -1.001564 0.496058 2.531845 ESP Fit Center 3187 is at -0.764668 0.839262 2.531845 ESP Fit Center 3188 is at -0.616790 1.229185 2.531845 ESP Fit Center 3189 is at -0.424522 1.643168 2.126028 ESP Fit Center 3190 is at -3.982872 0.830998 2.126028 ESP Fit Center 3191 is at -3.759864 0.476081 2.126028 ESP Fit Center 3192 is at -0.832903 0.476081 2.126028 ESP Fit Center 3193 is at -3.690295 0.322785 1.698788 ESP Fit Center 3194 is at 0.056169 -1.408696 -2.683934 ESP Fit Center 3195 is at -0.335259 -1.408696 -2.846069 ESP Fit Center 3196 is at -0.447040 -0.991523 -2.846069 ESP Fit Center 3197 is at -0.747232 -1.408696 -2.944975 ESP Fit Center 3198 is at -2.112522 -1.883013 3.740665 ESP Fit Center 3199 is at -2.107322 -1.160448 3.641759 ESP Fit Center 3200 is at -2.412714 -1.465840 3.641759 ESP Fit Center 3201 is at -2.524495 -1.883013 3.641759 ESP Fit Center 3202 is at -2.412714 -2.300186 3.641759 ESP Fit Center 3203 is at -2.107322 -2.605578 3.641759 ESP Fit Center 3204 is at -2.303036 -0.821461 3.479624 ESP Fit Center 3205 is at -2.629147 -1.095100 3.479624 ESP Fit Center 3206 is at -2.842000 -1.463773 3.479624 ESP Fit Center 3207 is at -2.915923 -1.883013 3.479624 ESP Fit Center 3208 is at -2.842000 -2.302252 3.479624 ESP Fit Center 3209 is at -2.629147 -2.670925 3.479624 ESP Fit Center 3210 is at -2.303036 -2.944565 3.479624 ESP Fit Center 3211 is at -1.903003 -3.090165 3.479624 ESP Fit Center 3212 is at -1.477296 -3.090165 3.479624 ESP Fit Center 3213 is at -2.100900 -0.350069 3.258252 ESP Fit Center 3214 is at -3.223093 -2.293764 3.258252 ESP Fit Center 3215 is at -3.064549 -2.676523 3.258252 ESP Fit Center 3216 is at -2.812342 -3.005206 3.258252 ESP Fit Center 3217 is at -2.483659 -3.257413 3.258252 ESP Fit Center 3218 is at -2.100900 -3.415957 3.258252 ESP Fit Center 3219 is at -1.690149 -3.470033 3.258252 ESP Fit Center 3220 is at -1.279398 -3.415957 3.258252 ESP Fit Center 3221 is at -3.551470 -2.307847 2.983095 ESP Fit Center 3222 is at -3.410268 -2.711379 2.983095 ESP Fit Center 3223 is at -3.182813 -3.073372 2.983095 ESP Fit Center 3224 is at -2.880509 -3.375676 2.983095 ESP Fit Center 3225 is at -1.265315 -3.744334 2.983095 ESP Fit Center 3226 is at -0.861783 -3.603132 2.983095 ESP Fit Center 3227 is at -3.631673 -2.883938 2.660926 ESP Fit Center 3228 is at -3.407161 -3.233286 2.660926 ESP Fit Center 3229 is at -0.782739 -3.869964 2.660926 ESP Fit Center 3230 is at -3.950784 -2.705817 2.299681 ESP Fit Center 3231 is at -3.773562 -3.085872 2.299681 ESP Fit Center 3232 is at -0.487290 -3.966426 2.299681 ESP Fit Center 3233 is at -4.118868 -2.716793 1.908252 ESP Fit Center 3234 is at -3.948508 -3.105176 1.908252 ESP Fit Center 3235 is at -4.066248 -3.093696 1.496279 ESP Fit Center 3236 is at -4.194406 -2.892319 1.073906 ESP Fit Center 3237 is at -4.226387 -2.707087 0.651533 ESP Fit Center 3238 is at -4.066248 -3.093696 0.651533 ESP Fit Center 3239 is at -3.948508 -3.105176 0.239560 ESP Fit Center 3240 is at -4.542851 -0.469223 0.010264 ESP Fit Center 3241 is at -4.680171 -0.469068 -0.383385 ESP Fit Center 3242 is at -4.704753 -0.260455 -0.793908 ESP Fit Center 3243 is at -4.704753 -0.260455 -1.210108 ESP Fit Center 3244 is at -4.569960 -0.057754 -1.620632 ESP Fit Center 3245 is at -4.236483 0.321602 -2.014281 ESP Fit Center 3246 is at -4.426307 -0.059616 -2.014281 ESP Fit Center 3247 is at -3.875117 0.480903 -2.380318 ESP Fit Center 3248 is at -4.118969 0.130551 -2.380318 ESP Fit Center 3249 is at -4.287305 -0.261717 -2.380318 ESP Fit Center 3250 is at -3.546704 0.455297 -2.708758 ESP Fit Center 3251 is at -3.823410 0.125532 -2.708758 ESP Fit Center 3252 is at -4.016609 -0.259157 -2.708758 ESP Fit Center 3253 is at -4.115884 -0.678032 -2.708758 ESP Fit Center 3254 is at -1.952448 -2.719128 -2.708758 ESP Fit Center 3255 is at -0.726580 -0.893271 -2.990642 ESP Fit Center 3256 is at -0.783977 -0.475675 -2.990642 ESP Fit Center 3257 is at -0.951912 -0.089051 -2.990642 ESP Fit Center 3258 is at -1.217929 0.237929 -2.990642 ESP Fit Center 3259 is at -1.562300 0.481012 -2.990642 ESP Fit Center 3260 is at -2.792728 0.565176 -2.990642 ESP Fit Center 3261 is at -3.166991 0.371248 -2.990642 ESP Fit Center 3262 is at -3.475054 0.083537 -2.990642 ESP Fit Center 3263 is at -3.694070 -0.276619 -2.990642 ESP Fit Center 3264 is at -3.807795 -0.682510 -2.990642 ESP Fit Center 3265 is at -1.959483 -2.408713 -2.990642 ESP Fit Center 3266 is at -1.562300 -2.267554 -2.990642 ESP Fit Center 3267 is at -1.217929 -2.024471 -2.990642 ESP Fit Center 3268 is at -0.951912 -1.697491 -2.990642 ESP Fit Center 3269 is at -0.783977 -1.310867 -2.990642 ESP Fit Center 3270 is at -1.075008 -0.893271 -3.218282 ESP Fit Center 3271 is at -1.147340 -0.483056 -3.218282 ESP Fit Center 3272 is at -1.355612 -0.122320 -3.218282 ESP Fit Center 3273 is at -1.674702 0.145429 -3.218282 ESP Fit Center 3274 is at -2.066124 0.287895 -3.218282 ESP Fit Center 3275 is at -2.482667 0.287895 -3.218282 ESP Fit Center 3276 is at -2.874089 0.145429 -3.218282 ESP Fit Center 3277 is at -3.193180 -0.122320 -3.218282 ESP Fit Center 3278 is at -3.401451 -0.483056 -3.218282 ESP Fit Center 3279 is at -3.473783 -0.893271 -3.218282 ESP Fit Center 3280 is at -2.482667 -2.074437 -3.218282 ESP Fit Center 3281 is at -2.066124 -2.074437 -3.218282 ESP Fit Center 3282 is at -1.674702 -1.931971 -3.218282 ESP Fit Center 3283 is at -1.355612 -1.664222 -3.218282 ESP Fit Center 3284 is at -1.147340 -1.303486 -3.218282 ESP Fit Center 3285 is at -1.456153 -0.893271 -3.385468 ESP Fit Center 3286 is at -1.565777 -0.484150 -3.385468 ESP Fit Center 3287 is at -1.865274 -0.184652 -3.385468 ESP Fit Center 3288 is at -2.274396 -0.075028 -3.385468 ESP Fit Center 3289 is at -2.683517 -0.184652 -3.385468 ESP Fit Center 3290 is at -2.983015 -0.484150 -3.385468 ESP Fit Center 3291 is at -3.092638 -0.893271 -3.385468 ESP Fit Center 3292 is at -2.983015 -1.302392 -3.385468 ESP Fit Center 3293 is at -2.683517 -1.601890 -3.385468 ESP Fit Center 3294 is at -2.274396 -1.711514 -3.385468 ESP Fit Center 3295 is at -1.865274 -1.601890 -3.385468 ESP Fit Center 3296 is at -1.565777 -1.302392 -3.385468 ESP Fit Center 3297 is at -1.859617 -0.893271 -3.487639 ESP Fit Center 3298 is at -2.067007 -0.534062 -3.487639 ESP Fit Center 3299 is at -2.481785 -0.534062 -3.487639 ESP Fit Center 3300 is at -2.689174 -0.893271 -3.487639 ESP Fit Center 3301 is at -2.481785 -1.252480 -3.487639 ESP Fit Center 3302 is at -2.067007 -1.252480 -3.487639 ESP Fit Center 3303 is at -2.274396 -0.893271 -3.522008 ESP Fit Center 3304 is at 2.753580 2.455789 2.590140 ESP Fit Center 3305 is at 3.168358 2.455789 2.555770 ESP Fit Center 3306 is at 2.960969 2.814998 2.555770 ESP Fit Center 3307 is at 2.546191 2.814998 2.555770 ESP Fit Center 3308 is at 2.338801 2.455789 2.555770 ESP Fit Center 3309 is at 2.546191 2.096581 2.555770 ESP Fit Center 3310 is at 2.960969 2.096581 2.555770 ESP Fit Center 3311 is at 3.571823 2.455789 2.453599 ESP Fit Center 3312 is at 3.462199 2.864911 2.453599 ESP Fit Center 3313 is at 3.162701 3.164408 2.453599 ESP Fit Center 3314 is at 2.753580 3.274032 2.453599 ESP Fit Center 3315 is at 2.344459 3.164408 2.453599 ESP Fit Center 3316 is at 2.044961 2.864911 2.453599 ESP Fit Center 3317 is at 3.162701 1.747171 2.453599 ESP Fit Center 3318 is at 3.462199 2.046668 2.453599 ESP Fit Center 3319 is at 3.952967 2.455789 2.286414 ESP Fit Center 3320 is at 3.880635 2.866004 2.286414 ESP Fit Center 3321 is at 3.672364 3.226741 2.286414 ESP Fit Center 3322 is at 3.353274 3.494489 2.286414 ESP Fit Center 3323 is at 2.961851 3.636955 2.286414 ESP Fit Center 3324 is at 2.545308 3.636955 2.286414 ESP Fit Center 3325 is at 2.153886 3.494489 2.286414 ESP Fit Center 3326 is at 1.834796 3.226741 2.286414 ESP Fit Center 3327 is at 3.353274 1.417089 2.286414 ESP Fit Center 3328 is at 3.672364 1.684838 2.286414 ESP Fit Center 3329 is at 3.880635 2.045575 2.286414 ESP Fit Center 3330 is at 4.301396 2.455789 2.058774 ESP Fit Center 3331 is at 4.243999 2.873385 2.058774 ESP Fit Center 3332 is at 4.076064 3.260010 2.058774 ESP Fit Center 3333 is at 3.810047 3.586989 2.058774 ESP Fit Center 3334 is at 3.465676 3.830072 2.058774 ESP Fit Center 3335 is at 3.068492 3.971231 2.058774 ESP Fit Center 3336 is at 2.647953 3.999997 2.058774 ESP Fit Center 3337 is at 2.235248 3.914236 2.058774 ESP Fit Center 3338 is at 1.860985 3.720309 2.058774 ESP Fit Center 3339 is at 1.552921 3.432597 2.058774 ESP Fit Center 3340 is at 3.810047 1.324590 2.058774 ESP Fit Center 3341 is at 4.076064 1.651569 2.058774 ESP Fit Center 3342 is at 4.243999 2.038194 2.058774 ESP Fit Center 3343 is at 4.607604 2.455789 1.776889 ESP Fit Center 3344 is at 4.557629 2.883357 1.776889 ESP Fit Center 3345 is at 4.410396 3.287874 1.776889 ESP Fit Center 3346 is at 4.173845 3.647533 1.776889 ESP Fit Center 3347 is at 3.860726 3.942945 1.776889 ESP Fit Center 3348 is at 3.487921 4.158184 1.776889 ESP Fit Center 3349 is at 3.075528 4.281647 1.776889 ESP Fit Center 3350 is at 2.645778 4.306677 1.776889 ESP Fit Center 3351 is at 2.221840 4.231925 1.776889 ESP Fit Center 3352 is at 1.826568 4.061422 1.776889 ESP Fit Center 3353 is at 1.481271 3.804358 1.776889 ESP Fit Center 3354 is at 4.173845 1.264046 1.776889 ESP Fit Center 3355 is at 4.410396 1.623705 1.776889 ESP Fit Center 3356 is at 4.557629 2.028222 1.776889 ESP Fit Center 3357 is at 4.863239 2.455789 1.448449 ESP Fit Center 3358 is at 4.820055 2.880461 1.448449 ESP Fit Center 3359 is at 4.692268 3.287746 1.448449 ESP Fit Center 3360 is at 4.485111 3.660971 1.448449 ESP Fit Center 3361 is at 4.207065 3.984855 1.448449 ESP Fit Center 3362 is at 3.869514 4.246140 1.448449 ESP Fit Center 3363 is at 3.486276 4.434127 1.448449 ESP Fit Center 3364 is at 3.073041 4.541121 1.448449 ESP Fit Center 3365 is at 2.646727 4.562741 1.448449 ESP Fit Center 3366 is at 2.224788 4.498103 1.448449 ESP Fit Center 3367 is at 1.824498 4.349851 1.448449 ESP Fit Center 3368 is at 1.462245 4.124057 1.448449 ESP Fit Center 3369 is at 4.485111 1.250608 1.448449 ESP Fit Center 3370 is at 4.692268 1.623833 1.448449 ESP Fit Center 3371 is at 4.820055 2.031118 1.448449 ESP Fit Center 3372 is at 5.061329 2.455789 1.082412 ESP Fit Center 3373 is at 5.022035 2.879837 1.082412 ESP Fit Center 3374 is at 4.905492 3.289444 1.082412 ESP Fit Center 3375 is at 4.715667 3.670663 1.082412 ESP Fit Center 3376 is at 4.459027 4.010510 1.082412 ESP Fit Center 3377 is at 4.144309 4.297413 1.082412 ESP Fit Center 3378 is at 3.782232 4.521601 1.082412 ESP Fit Center 3379 is at 3.385125 4.675441 1.082412 ESP Fit Center 3380 is at 2.966512 4.753694 1.082412 ESP Fit Center 3381 is at 2.540648 4.753694 1.082412 ESP Fit Center 3382 is at 2.122034 4.675441 1.082412 ESP Fit Center 3383 is at 1.724928 4.521601 1.082412 ESP Fit Center 3384 is at 1.362851 4.297413 1.082412 ESP Fit Center 3385 is at 4.715667 1.240916 1.082412 ESP Fit Center 3386 is at 4.905492 1.622134 1.082412 ESP Fit Center 3387 is at 5.022035 2.031742 1.082412 ESP Fit Center 3388 is at 5.196469 2.455789 0.688763 ESP Fit Center 3389 is at 5.159356 2.879993 0.688763 ESP Fit Center 3390 is at 5.049144 3.291307 0.688763 ESP Fit Center 3391 is at 4.869184 3.677234 0.688763 ESP Fit Center 3392 is at 4.624941 4.026048 0.688763 ESP Fit Center 3393 is at 4.323838 4.327151 0.688763 ESP Fit Center 3394 is at 3.975024 4.571393 0.688763 ESP Fit Center 3395 is at 3.589097 4.751354 0.688763 ESP Fit Center 3396 is at 3.177783 4.861565 0.688763 ESP Fit Center 3397 is at 2.753580 4.898678 0.688763 ESP Fit Center 3398 is at 2.329377 4.861565 0.688763 ESP Fit Center 3399 is at 1.918063 4.751354 0.688763 ESP Fit Center 3400 is at 1.532136 4.571393 0.688763 ESP Fit Center 3401 is at 4.869184 1.234345 0.688763 ESP Fit Center 3402 is at 5.049144 1.620272 0.688763 ESP Fit Center 3403 is at 5.159356 2.031586 0.688763 ESP Fit Center 3404 is at 5.264973 2.455789 0.278240 ESP Fit Center 3405 is at 5.228849 2.880217 0.278240 ESP Fit Center 3406 is at 5.121516 3.292434 0.278240 ESP Fit Center 3407 is at 4.946061 3.680583 0.278240 ESP Fit Center 3408 is at 4.707533 4.033497 0.278240 ESP Fit Center 3409 is at 4.412794 4.341023 0.278240 ESP Fit Center 3410 is at 4.070321 4.594314 0.278240 ESP Fit Center 3411 is at 3.689969 4.786083 0.278240 ESP Fit Center 3412 is at 3.282678 4.910815 0.278240 ESP Fit Center 3413 is at 2.860166 4.964920 0.278240 ESP Fit Center 3414 is at 2.434588 4.946841 0.278240 ESP Fit Center 3415 is at 2.018187 4.857100 0.278240 ESP Fit Center 3416 is at 1.622941 4.698277 0.278240 ESP Fit Center 3417 is at 4.946061 1.230996 0.278240 ESP Fit Center 3418 is at 5.121516 1.619145 0.278240 ESP Fit Center 3419 is at 5.228849 2.031362 0.278240 ESP Fit Center 3420 is at 5.264973 2.455789 -0.137960 ESP Fit Center 3421 is at 5.228849 2.880217 -0.137960 ESP Fit Center 3422 is at 5.121516 3.292434 -0.137960 ESP Fit Center 3423 is at 4.946061 3.680583 -0.137960 ESP Fit Center 3424 is at 4.707533 4.033497 -0.137960 ESP Fit Center 3425 is at 4.412794 4.341023 -0.137960 ESP Fit Center 3426 is at 4.070321 4.594314 -0.137960 ESP Fit Center 3427 is at 3.689969 4.786083 -0.137960 ESP Fit Center 3428 is at 3.282678 4.910815 -0.137960 ESP Fit Center 3429 is at 2.860166 4.964920 -0.137960 ESP Fit Center 3430 is at 2.434588 4.946841 -0.137960 ESP Fit Center 3431 is at 2.018187 4.857100 -0.137960 ESP Fit Center 3432 is at 1.622941 4.698277 -0.137960 ESP Fit Center 3433 is at 4.946061 1.230996 -0.137960 ESP Fit Center 3434 is at 5.121516 1.619145 -0.137960 ESP Fit Center 3435 is at 5.228849 2.031362 -0.137960 ESP Fit Center 3436 is at 5.196469 2.455789 -0.548484 ESP Fit Center 3437 is at 5.159356 2.879993 -0.548484 ESP Fit Center 3438 is at 5.049144 3.291307 -0.548484 ESP Fit Center 3439 is at 4.869184 3.677234 -0.548484 ESP Fit Center 3440 is at 4.624941 4.026048 -0.548484 ESP Fit Center 3441 is at 4.323838 4.327151 -0.548484 ESP Fit Center 3442 is at 3.975024 4.571393 -0.548484 ESP Fit Center 3443 is at 3.589097 4.751354 -0.548484 ESP Fit Center 3444 is at 3.177783 4.861565 -0.548484 ESP Fit Center 3445 is at 2.753580 4.898678 -0.548484 ESP Fit Center 3446 is at 2.329377 4.861565 -0.548484 ESP Fit Center 3447 is at 1.918063 4.751354 -0.548484 ESP Fit Center 3448 is at 4.869184 1.234345 -0.548484 ESP Fit Center 3449 is at 5.049144 1.620272 -0.548484 ESP Fit Center 3450 is at 5.159356 2.031586 -0.548484 ESP Fit Center 3451 is at 5.061329 2.455789 -0.942133 ESP Fit Center 3452 is at 5.022035 2.879837 -0.942133 ESP Fit Center 3453 is at 4.905492 3.289444 -0.942133 ESP Fit Center 3454 is at 4.715667 3.670663 -0.942133 ESP Fit Center 3455 is at 4.459027 4.010510 -0.942133 ESP Fit Center 3456 is at 4.144309 4.297413 -0.942133 ESP Fit Center 3457 is at 3.782232 4.521601 -0.942133 ESP Fit Center 3458 is at 3.385125 4.675441 -0.942133 ESP Fit Center 3459 is at 2.966512 4.753694 -0.942133 ESP Fit Center 3460 is at 2.540648 4.753694 -0.942133 ESP Fit Center 3461 is at 2.122034 4.675441 -0.942133 ESP Fit Center 3462 is at 1.724928 4.521601 -0.942133 ESP Fit Center 3463 is at 4.715667 1.240916 -0.942133 ESP Fit Center 3464 is at 4.905492 1.622134 -0.942133 ESP Fit Center 3465 is at 5.022035 2.031742 -0.942133 ESP Fit Center 3466 is at 4.863239 2.455789 -1.308169 ESP Fit Center 3467 is at 4.820055 2.880461 -1.308169 ESP Fit Center 3468 is at 4.692268 3.287746 -1.308169 ESP Fit Center 3469 is at 4.485111 3.660971 -1.308169 ESP Fit Center 3470 is at 4.207065 3.984855 -1.308169 ESP Fit Center 3471 is at 3.869514 4.246140 -1.308169 ESP Fit Center 3472 is at 3.486276 4.434127 -1.308169 ESP Fit Center 3473 is at 3.073041 4.541121 -1.308169 ESP Fit Center 3474 is at 2.646727 4.562741 -1.308169 ESP Fit Center 3475 is at 2.224788 4.498103 -1.308169 ESP Fit Center 3476 is at 1.824498 4.349851 -1.308169 ESP Fit Center 3477 is at 4.485111 1.250608 -1.308169 ESP Fit Center 3478 is at 4.692268 1.623833 -1.308169 ESP Fit Center 3479 is at 4.820055 2.031118 -1.308169 ESP Fit Center 3480 is at 4.607604 2.455789 -1.636610 ESP Fit Center 3481 is at 4.557629 2.883357 -1.636610 ESP Fit Center 3482 is at 4.410396 3.287874 -1.636610 ESP Fit Center 3483 is at 4.173845 3.647533 -1.636610 ESP Fit Center 3484 is at 3.860726 3.942945 -1.636610 ESP Fit Center 3485 is at 3.487921 4.158184 -1.636610 ESP Fit Center 3486 is at 3.075528 4.281647 -1.636610 ESP Fit Center 3487 is at 2.645778 4.306677 -1.636610 ESP Fit Center 3488 is at 2.221840 4.231925 -1.636610 ESP Fit Center 3489 is at 1.826568 4.061422 -1.636610 ESP Fit Center 3490 is at 4.173845 1.264046 -1.636610 ESP Fit Center 3491 is at 4.410396 1.623705 -1.636610 ESP Fit Center 3492 is at 4.557629 2.028222 -1.636610 ESP Fit Center 3493 is at 4.301396 2.455789 -1.918494 ESP Fit Center 3494 is at 4.243999 2.873385 -1.918494 ESP Fit Center 3495 is at 4.076064 3.260010 -1.918494 ESP Fit Center 3496 is at 3.810047 3.586989 -1.918494 ESP Fit Center 3497 is at 3.465676 3.830072 -1.918494 ESP Fit Center 3498 is at 3.068492 3.971231 -1.918494 ESP Fit Center 3499 is at 2.647953 3.999997 -1.918494 ESP Fit Center 3500 is at 2.235248 3.914236 -1.918494 ESP Fit Center 3501 is at 1.860985 3.720309 -1.918494 ESP Fit Center 3502 is at 3.810047 1.324590 -1.918494 ESP Fit Center 3503 is at 4.076064 1.651569 -1.918494 ESP Fit Center 3504 is at 4.243999 2.038194 -1.918494 ESP Fit Center 3505 is at 3.952967 2.455789 -2.146134 ESP Fit Center 3506 is at 3.880635 2.866004 -2.146134 ESP Fit Center 3507 is at 3.672364 3.226741 -2.146134 ESP Fit Center 3508 is at 3.353274 3.494489 -2.146134 ESP Fit Center 3509 is at 2.961851 3.636955 -2.146134 ESP Fit Center 3510 is at 2.545308 3.636955 -2.146134 ESP Fit Center 3511 is at 2.153886 3.494489 -2.146134 ESP Fit Center 3512 is at 3.672364 1.684838 -2.146134 ESP Fit Center 3513 is at 3.880635 2.045575 -2.146134 ESP Fit Center 3514 is at 3.571823 2.455789 -2.313320 ESP Fit Center 3515 is at 3.462199 2.864911 -2.313320 ESP Fit Center 3516 is at 3.162701 3.164408 -2.313320 ESP Fit Center 3517 is at 2.753580 3.274032 -2.313320 ESP Fit Center 3518 is at 2.344459 3.164408 -2.313320 ESP Fit Center 3519 is at 3.462199 2.046668 -2.313320 ESP Fit Center 3520 is at 3.168358 2.455789 -2.415491 ESP Fit Center 3521 is at 2.960969 2.814998 -2.415491 ESP Fit Center 3522 is at 2.546191 2.814998 -2.415491 ESP Fit Center 3523 is at 2.753580 2.455789 -2.449860 ESP Fit Center 3524 is at 1.835969 1.633115 2.684080 ESP Fit Center 3525 is at 2.258342 1.633115 2.650839 ESP Fit Center 3526 is at 2.047155 1.998900 2.650839 ESP Fit Center 3527 is at 1.624782 1.998900 2.650839 ESP Fit Center 3528 is at 1.413596 1.633115 2.650839 ESP Fit Center 3529 is at 1.624782 1.267329 2.650839 ESP Fit Center 3530 is at 2.047155 1.267329 2.650839 ESP Fit Center 3531 is at 2.670315 1.633115 2.551933 ESP Fit Center 3532 is at 2.558534 2.050288 2.551933 ESP Fit Center 3533 is at 2.253142 2.355679 2.551933 ESP Fit Center 3534 is at 1.835969 2.467461 2.551933 ESP Fit Center 3535 is at 1.418796 2.355679 2.551933 ESP Fit Center 3536 is at 1.113404 2.050288 2.551933 ESP Fit Center 3537 is at 1.001623 1.633115 2.551933 ESP Fit Center 3538 is at 1.113404 1.215942 2.551933 ESP Fit Center 3539 is at 2.558534 1.215942 2.551933 ESP Fit Center 3540 is at 1.623115 2.840267 2.389798 ESP Fit Center 3541 is at 1.223082 2.694666 2.389798 ESP Fit Center 3542 is at 1.425218 3.166058 2.168426 ESP Fit Center 3543 is at 3.697290 1.208280 -1.925108 ESP Fit Center 3544 is at 1.835969 3.220135 -2.200266 ESP Fit Center 3545 is at 3.368913 1.222364 -2.200266 ESP Fit Center 3546 is at 3.061743 1.633115 -2.421637 ESP Fit Center 3547 is at 2.987820 2.052354 -2.421637 ESP Fit Center 3548 is at 2.448856 2.694666 -2.421637 ESP Fit Center 3549 is at 2.048822 2.840267 -2.421637 ESP Fit Center 3550 is at 2.987820 1.213875 -2.421637 ESP Fit Center 3551 is at 2.670315 1.633115 -2.583772 ESP Fit Center 3552 is at 2.558534 2.050288 -2.583772 ESP Fit Center 3553 is at 2.253142 2.355679 -2.583772 ESP Fit Center 3554 is at 1.835969 2.467461 -2.583772 ESP Fit Center 3555 is at 1.418796 0.910550 -2.583772 ESP Fit Center 3556 is at 2.253142 0.910550 -2.583772 ESP Fit Center 3557 is at 2.558534 1.215942 -2.583772 ESP Fit Center 3558 is at 2.258342 1.633115 -2.682678 ESP Fit Center 3559 is at 2.047155 1.998900 -2.682678 ESP Fit Center 3560 is at 1.624782 1.998900 -2.682678 ESP Fit Center 3561 is at 1.413596 1.633115 -2.682678 ESP Fit Center 3562 is at 1.624782 1.267329 -2.682678 ESP Fit Center 3563 is at 2.047155 1.267329 -2.682678 ESP Fit Center 3564 is at 1.835969 1.633115 -2.715920 ESP Fit Center 3565 is at 2.095956 0.280670 2.743392 ESP Fit Center 3566 is at 2.518329 0.280670 2.710150 ESP Fit Center 3567 is at 2.307142 0.646456 2.710150 ESP Fit Center 3568 is at 1.884769 0.646456 2.710150 ESP Fit Center 3569 is at 1.673582 0.280670 2.710150 ESP Fit Center 3570 is at 1.884769 -0.085116 2.710150 ESP Fit Center 3571 is at 2.307142 -0.085116 2.710150 ESP Fit Center 3572 is at 2.930301 0.280670 2.611244 ESP Fit Center 3573 is at 2.818520 0.697843 2.611244 ESP Fit Center 3574 is at 2.513128 1.003235 2.611244 ESP Fit Center 3575 is at 1.678783 1.003235 2.611244 ESP Fit Center 3576 is at 1.373391 0.697843 2.611244 ESP Fit Center 3577 is at 1.261610 0.280670 2.611244 ESP Fit Center 3578 is at 1.373391 -0.136503 2.611244 ESP Fit Center 3579 is at 1.678783 -0.441895 2.611244 ESP Fit Center 3580 is at 2.095956 -0.553676 2.611244 ESP Fit Center 3581 is at 2.513128 -0.441895 2.611244 ESP Fit Center 3582 is at 2.818520 -0.136503 2.611244 ESP Fit Center 3583 is at 3.321730 0.280670 2.449109 ESP Fit Center 3584 is at 3.247807 0.699910 2.449109 ESP Fit Center 3585 is at 3.034953 1.068583 2.449109 ESP Fit Center 3586 is at 0.944104 0.699910 2.449109 ESP Fit Center 3587 is at 0.870181 0.280670 2.449109 ESP Fit Center 3588 is at 3.034953 -0.507242 2.449109 ESP Fit Center 3589 is at 3.247807 -0.138569 2.449109 ESP Fit Center 3590 is at 3.682976 0.280670 2.227738 ESP Fit Center 3591 is at 3.628899 0.691421 2.227738 ESP Fit Center 3592 is at 3.470355 1.074180 2.227738 ESP Fit Center 3593 is at 0.563012 0.691421 2.227738 ESP Fit Center 3594 is at 3.470355 -0.512840 2.227738 ESP Fit Center 3595 is at 3.816075 1.109036 1.952580 ESP Fit Center 3596 is at 4.240827 0.694060 -1.543628 ESP Fit Center 3597 is at 4.005144 0.280670 -1.865797 ESP Fit Center 3598 is at 3.957276 0.705505 -1.865797 ESP Fit Center 3599 is at 3.816075 1.109036 -1.865797 ESP Fit Center 3600 is at 3.816075 -0.547696 -1.865797 ESP Fit Center 3601 is at 3.957276 -0.144164 -1.865797 ESP Fit Center 3602 is at 3.682976 0.280670 -2.140954 ESP Fit Center 3603 is at 3.628899 0.691421 -2.140954 ESP Fit Center 3604 is at 3.470355 1.074180 -2.140954 ESP Fit Center 3605 is at 3.470355 -0.512840 -2.140954 ESP Fit Center 3606 is at 3.628899 -0.130081 -2.140954 ESP Fit Center 3607 is at 3.321730 0.280670 -2.362326 ESP Fit Center 3608 is at 3.247807 0.699910 -2.362326 ESP Fit Center 3609 is at 3.034953 -0.507242 -2.362326 ESP Fit Center 3610 is at 3.247807 -0.138569 -2.362326 ESP Fit Center 3611 is at 2.930301 0.280670 -2.524461 ESP Fit Center 3612 is at 2.818520 0.697843 -2.524461 ESP Fit Center 3613 is at 1.373391 0.697843 -2.524461 ESP Fit Center 3614 is at 2.513128 -0.441895 -2.524461 ESP Fit Center 3615 is at 2.818520 -0.136503 -2.524461 ESP Fit Center 3616 is at 2.518329 0.280670 -2.623367 ESP Fit Center 3617 is at 2.307142 0.646456 -2.623367 ESP Fit Center 3618 is at 1.884769 0.646456 -2.623367 ESP Fit Center 3619 is at 1.673582 0.280670 -2.623367 ESP Fit Center 3620 is at 1.884769 -0.085116 -2.623367 ESP Fit Center 3621 is at 2.307142 -0.085116 -2.623367 ESP Fit Center 3622 is at 2.095956 0.280670 -2.656608 ESP Fit Center 3623 is at 1.166297 -0.743485 2.665100 ESP Fit Center 3624 is at 1.377483 -0.377700 2.631858 ESP Fit Center 3625 is at 0.955110 -0.377700 2.631858 ESP Fit Center 3626 is at 0.749124 -0.020921 2.532952 ESP Fit Center 3627 is at 0.553409 0.318066 2.370817 ESP Fit Center 3628 is at 2.000642 -0.743485 -2.602753 ESP Fit Center 3629 is at 1.888861 -0.326312 -2.602753 ESP Fit Center 3630 is at 1.583470 -0.020921 -2.602753 ESP Fit Center 3631 is at 1.166297 0.090861 -2.602753 ESP Fit Center 3632 is at 1.588670 -0.743485 -2.701659 ESP Fit Center 3633 is at 1.377483 -0.377700 -2.701659 ESP Fit Center 3634 is at 0.955110 -0.377700 -2.701659 ESP Fit Center 3635 is at 1.166297 -0.743485 -2.734900 ESP Fit Center 3636 is at 1.655215 -2.463099 3.200236 ESP Fit Center 3637 is at 2.066373 -2.463099 3.173288 ESP Fit Center 3638 is at 1.860794 -2.107026 3.173288 ESP Fit Center 3639 is at 1.449636 -2.107026 3.173288 ESP Fit Center 3640 is at 1.244058 -2.463099 3.173288 ESP Fit Center 3641 is at 1.449636 -2.819172 3.173288 ESP Fit Center 3642 is at 1.860794 -2.819172 3.173288 ESP Fit Center 3643 is at 2.470495 -2.463099 3.092903 ESP Fit Center 3644 is at 2.361268 -2.055459 3.092903 ESP Fit Center 3645 is at 2.062855 -1.757046 3.092903 ESP Fit Center 3646 is at 1.655215 -1.647819 3.092903 ESP Fit Center 3647 is at 1.247575 -1.757046 3.092903 ESP Fit Center 3648 is at 0.949162 -2.055459 3.092903 ESP Fit Center 3649 is at 0.839935 -2.463099 3.092903 ESP Fit Center 3650 is at 0.949162 -2.870739 3.092903 ESP Fit Center 3651 is at 1.247575 -3.169152 3.092903 ESP Fit Center 3652 is at 1.655215 -3.278379 3.092903 ESP Fit Center 3653 is at 2.062855 -3.169152 3.092903 ESP Fit Center 3654 is at 2.361268 -2.870739 3.092903 ESP Fit Center 3655 is at 2.860668 -2.463099 2.960457 ESP Fit Center 3656 is at 2.787970 -2.050810 2.960457 ESP Fit Center 3657 is at 2.578646 -1.688249 2.960457 ESP Fit Center 3658 is at 2.257942 -1.419146 2.960457 ESP Fit Center 3659 is at 1.864540 -1.275960 2.960457 ESP Fit Center 3660 is at 1.445890 -1.275960 2.960457 ESP Fit Center 3661 is at 1.052489 -1.419146 2.960457 ESP Fit Center 3662 is at 0.522460 -2.875388 2.960457 ESP Fit Center 3663 is at 0.731785 -3.237949 2.960457 ESP Fit Center 3664 is at 1.052489 -3.507052 2.960457 ESP Fit Center 3665 is at 1.445890 -3.650238 2.960457 ESP Fit Center 3666 is at 1.864540 -3.650238 2.960457 ESP Fit Center 3667 is at 2.257942 -3.507052 2.960457 ESP Fit Center 3668 is at 2.578646 -3.237949 2.960457 ESP Fit Center 3669 is at 2.787970 -2.875388 2.960457 ESP Fit Center 3670 is at 3.230215 -2.463099 2.778216 ESP Fit Center 3671 is at 3.176548 -2.055459 2.778216 ESP Fit Center 3672 is at 3.019205 -1.675599 2.778216 ESP Fit Center 3673 is at 2.768908 -1.349406 2.778216 ESP Fit Center 3674 is at 2.442715 -1.099109 2.778216 ESP Fit Center 3675 is at 2.062855 -0.941766 2.778216 ESP Fit Center 3676 is at 1.655215 -0.888099 2.778216 ESP Fit Center 3677 is at 1.247575 -0.941766 2.778216 ESP Fit Center 3678 is at 0.291225 -3.250599 2.778216 ESP Fit Center 3679 is at 0.541522 -3.576792 2.778216 ESP Fit Center 3680 is at 0.867715 -3.827089 2.778216 ESP Fit Center 3681 is at 1.247575 -3.984432 2.778216 ESP Fit Center 3682 is at 1.655215 -4.038099 2.778216 ESP Fit Center 3683 is at 2.062855 -3.984432 2.778216 ESP Fit Center 3684 is at 2.442715 -3.827089 2.778216 ESP Fit Center 3685 is at 2.768908 -3.576792 2.778216 ESP Fit Center 3686 is at 3.019205 -3.250599 2.778216 ESP Fit Center 3687 is at 3.176548 -2.870739 2.778216 ESP Fit Center 3688 is at 3.572814 -2.463099 2.549299 ESP Fit Center 3689 is at 3.527981 -2.050872 2.549299 ESP Fit Center 3690 is at 3.395580 -1.657920 2.549299 ESP Fit Center 3691 is at 3.181802 -1.302618 2.549299 ESP Fit Center 3692 is at 2.896642 -1.001578 2.549299 ESP Fit Center 3693 is at 2.553434 -0.768878 2.549299 ESP Fit Center 3694 is at 0.263047 -3.781831 2.549299 ESP Fit Center 3695 is at 0.579084 -4.050274 2.549299 ESP Fit Center 3696 is at 0.945439 -4.244503 2.549299 ESP Fit Center 3697 is at 1.344982 -4.355436 2.549299 ESP Fit Center 3698 is at 1.759032 -4.377885 2.549299 ESP Fit Center 3699 is at 2.168227 -4.310801 2.549299 ESP Fit Center 3700 is at 2.553434 -4.157321 2.549299 ESP Fit Center 3701 is at 2.896642 -3.924620 2.549299 ESP Fit Center 3702 is at 3.181802 -3.623580 2.549299 ESP Fit Center 3703 is at 3.395580 -3.268278 2.549299 ESP Fit Center 3704 is at 3.527981 -2.875326 2.549299 ESP Fit Center 3705 is at 3.882601 -2.463099 2.277623 ESP Fit Center 3706 is at 3.842350 -2.041563 2.277623 ESP Fit Center 3707 is at 3.723049 -1.635263 2.277623 ESP Fit Center 3708 is at 3.529012 -1.258883 2.277623 ESP Fit Center 3709 is at 3.267250 -0.926027 2.277623 ESP Fit Center 3710 is at -0.095629 -3.839978 2.277623 ESP Fit Center 3711 is at 0.196587 -4.146445 2.277623 ESP Fit Center 3712 is at 0.541522 -4.392072 2.277623 ESP Fit Center 3713 is at 0.926708 -4.567981 2.277623 ESP Fit Center 3714 is at 1.338225 -4.667814 2.277623 ESP Fit Center 3715 is at 1.761198 -4.687963 2.277623 ESP Fit Center 3716 is at 2.180341 -4.627699 2.277623 ESP Fit Center 3717 is at 2.580505 -4.489201 2.277623 ESP Fit Center 3718 is at 2.947226 -4.277474 2.277623 ESP Fit Center 3719 is at 3.267250 -4.000172 2.277623 ESP Fit Center 3720 is at 3.529012 -3.667315 2.277623 ESP Fit Center 3721 is at 3.723049 -3.290935 2.277623 ESP Fit Center 3722 is at 3.842350 -2.884635 2.277623 ESP Fit Center 3723 is at 4.154278 -2.463099 1.967835 ESP Fit Center 3724 is at 4.120194 -2.051767 1.967835 ESP Fit Center 3725 is at 4.018872 -1.651655 1.967835 ESP Fit Center 3726 is at 3.853075 -1.273677 1.967835 ESP Fit Center 3727 is at -0.037354 -4.301720 1.967835 ESP Fit Center 3728 is at 0.288357 -4.555231 1.967835 ESP Fit Center 3729 is at 0.651353 -4.751674 1.967835 ESP Fit Center 3730 is at 1.041731 -4.885691 1.967835 ESP Fit Center 3731 is at 1.448844 -4.953627 1.967835 ESP Fit Center 3732 is at 1.861586 -4.953627 1.967835 ESP Fit Center 3733 is at 2.268699 -4.885691 1.967835 ESP Fit Center 3734 is at 2.659077 -4.751674 1.967835 ESP Fit Center 3735 is at 3.022073 -4.555231 1.967835 ESP Fit Center 3736 is at 3.347784 -4.301720 1.967835 ESP Fit Center 3737 is at 3.627327 -3.998055 1.967835 ESP Fit Center 3738 is at 3.853075 -3.652522 1.967835 ESP Fit Center 3739 is at 4.018872 -3.274544 1.967835 ESP Fit Center 3740 is at 4.120194 -2.874431 1.967835 ESP Fit Center 3741 is at 4.383195 -2.463099 1.625236 ESP Fit Center 3742 is at 4.351224 -2.046675 1.625236 ESP Fit Center 3743 is at 4.256061 -1.640011 1.625236 ESP Fit Center 3744 is at 4.099937 -1.252640 1.625236 ESP Fit Center 3745 is at -0.159780 -4.499681 1.625236 ESP Fit Center 3746 is at 0.172374 -4.752871 1.625236 ESP Fit Center 3747 is at 0.539284 -4.952391 1.625236 ESP Fit Center 3748 is at 0.932351 -5.093563 1.625236 ESP Fit Center 3749 is at 1.342361 -5.173080 1.625236 ESP Fit Center 3750 is at 1.759704 -5.189077 1.625236 ESP Fit Center 3751 is at 2.174598 -5.141180 1.625236 ESP Fit Center 3752 is at 2.577318 -5.030510 1.625236 ESP Fit Center 3753 is at 2.958425 -4.859663 1.625236 ESP Fit Center 3754 is at 3.308986 -4.632642 1.625236 ESP Fit Center 3755 is at 3.620784 -4.354769 1.625236 ESP Fit Center 3756 is at 3.886510 -4.032557 1.625236 ESP Fit Center 3757 is at 4.099937 -3.673558 1.625236 ESP Fit Center 3758 is at 4.256061 -3.286187 1.625236 ESP Fit Center 3759 is at 4.351224 -2.879523 1.625236 ESP Fit Center 3760 is at 4.565436 -2.463099 1.255689 ESP Fit Center 3761 is at 4.535814 -2.048932 1.255689 ESP Fit Center 3762 is at 4.447551 -1.643195 1.255689 ESP Fit Center 3763 is at -0.250574 -4.662497 1.255689 ESP Fit Center 3764 is at 0.081831 -4.911332 1.255689 ESP Fit Center 3765 is at 0.446266 -5.110329 1.255689 ESP Fit Center 3766 is at 0.835311 -5.255435 1.255689 ESP Fit Center 3767 is at 1.241048 -5.343698 1.255689 ESP Fit Center 3768 is at 1.655215 -5.373320 1.255689 ESP Fit Center 3769 is at 2.069383 -5.343698 1.255689 ESP Fit Center 3770 is at 2.475119 -5.255435 1.255689 ESP Fit Center 3771 is at 2.864164 -5.110329 1.255689 ESP Fit Center 3772 is at 3.228599 -4.911332 1.255689 ESP Fit Center 3773 is at 3.561004 -4.662497 1.255689 ESP Fit Center 3774 is at 3.854613 -4.368888 1.255689 ESP Fit Center 3775 is at 4.103448 -4.036483 1.255689 ESP Fit Center 3776 is at 4.302445 -3.672048 1.255689 ESP Fit Center 3777 is at 4.447551 -3.283003 1.255689 ESP Fit Center 3778 is at 4.535814 -2.877267 1.255689 ESP Fit Center 3779 is at 4.697881 -2.463099 0.865516 ESP Fit Center 3780 is at 4.669542 -2.048789 0.865516 ESP Fit Center 3781 is at 4.585051 -1.642198 0.865516 ESP Fit Center 3782 is at -0.421566 -4.686789 0.865516 ESP Fit Center 3783 is at -0.099431 -4.948866 0.865516 ESP Fit Center 3784 is at 0.255391 -5.164638 0.865516 ESP Fit Center 3785 is at 0.636288 -5.330085 0.865516 ESP Fit Center 3786 is at 1.036166 -5.442125 0.865516 ESP Fit Center 3787 is at 1.447576 -5.498672 0.865516 ESP Fit Center 3788 is at 1.862854 -5.498672 0.865516 ESP Fit Center 3789 is at 2.274264 -5.442125 0.865516 ESP Fit Center 3790 is at 2.674142 -5.330085 0.865516 ESP Fit Center 3791 is at 3.055040 -5.164638 0.865516 ESP Fit Center 3792 is at 3.409861 -4.948866 0.865516 ESP Fit Center 3793 is at 3.731997 -4.686789 0.865516 ESP Fit Center 3794 is at 4.015446 -4.383289 0.865516 ESP Fit Center 3795 is at 4.254928 -4.044020 0.865516 ESP Fit Center 3796 is at 4.445983 -3.675301 0.865516 ESP Fit Center 3797 is at 4.585051 -3.284001 0.865516 ESP Fit Center 3798 is at 4.669542 -2.877409 0.865516 ESP Fit Center 3799 is at 4.778266 -2.463099 0.461394 ESP Fit Center 3800 is at 4.750401 -2.046837 0.461394 ESP Fit Center 3801 is at 4.667302 -1.638003 0.461394 ESP Fit Center 3802 is at -0.361114 -4.848024 0.461394 ESP Fit Center 3803 is at -0.025244 -5.095495 0.461394 ESP Fit Center 3804 is at 0.340614 -5.295991 0.461394 ESP Fit Center 3805 is at 0.729931 -5.445933 0.461394 ESP Fit Center 3806 is at 1.135760 -5.542647 0.461394 ESP Fit Center 3807 is at 1.550858 -5.584406 0.461394 ESP Fit Center 3808 is at 1.967819 -5.570466 0.461394 ESP Fit Center 3809 is at 2.379201 -5.501074 0.461394 ESP Fit Center 3810 is at 2.777664 -5.377470 0.461394 ESP Fit Center 3811 is at 3.156097 -5.201859 0.461394 ESP Fit Center 3812 is at 3.507746 -4.977374 0.461394 ESP Fit Center 3813 is at 3.826337 -4.708022 0.461394 ESP Fit Center 3814 is at 4.106184 -4.398610 0.461394 ESP Fit Center 3815 is at 4.342293 -4.054658 0.461394 ESP Fit Center 3816 is at 4.530452 -3.682305 0.461394 ESP Fit Center 3817 is at 4.667302 -3.288195 0.461394 ESP Fit Center 3818 is at 4.750401 -2.879361 0.461394 ESP Fit Center 3819 is at 4.805215 -2.463099 0.050236 ESP Fit Center 3820 is at 4.778266 -2.051942 0.050236 ESP Fit Center 3821 is at 4.697881 -1.647819 0.050236 ESP Fit Center 3822 is at -0.572171 -4.690485 0.050236 ESP Fit Center 3823 is at -0.262383 -4.962162 0.050236 ESP Fit Center 3824 is at 0.080215 -5.191079 0.050236 ESP Fit Center 3825 is at 0.449762 -5.373320 0.050236 ESP Fit Center 3826 is at 0.839935 -5.505765 0.050236 ESP Fit Center 3827 is at 1.244058 -5.586150 0.050236 ESP Fit Center 3828 is at 1.655215 -5.613099 0.050236 ESP Fit Center 3829 is at 2.066373 -5.586150 0.050236 ESP Fit Center 3830 is at 2.470495 -5.505765 0.050236 ESP Fit Center 3831 is at 2.860668 -5.373320 0.050236 ESP Fit Center 3832 is at 3.230215 -5.191079 0.050236 ESP Fit Center 3833 is at 3.572814 -4.962162 0.050236 ESP Fit Center 3834 is at 3.882601 -4.690485 0.050236 ESP Fit Center 3835 is at 4.154278 -4.380698 0.050236 ESP Fit Center 3836 is at 4.383195 -4.038099 0.050236 ESP Fit Center 3837 is at 4.565436 -3.668552 0.050236 ESP Fit Center 3838 is at 4.697881 -3.278379 0.050236 ESP Fit Center 3839 is at 4.778266 -2.874257 0.050236 ESP Fit Center 3840 is at 4.778266 -2.463099 -0.360921 ESP Fit Center 3841 is at 4.750401 -2.046837 -0.360921 ESP Fit Center 3842 is at 4.667302 -1.638003 -0.360921 ESP Fit Center 3843 is at -0.661002 -4.557994 -0.360921 ESP Fit Center 3844 is at -0.361114 -4.848024 -0.360921 ESP Fit Center 3845 is at -0.025244 -5.095495 -0.360921 ESP Fit Center 3846 is at 0.340614 -5.295991 -0.360921 ESP Fit Center 3847 is at 0.729931 -5.445933 -0.360921 ESP Fit Center 3848 is at 1.135760 -5.542647 -0.360921 ESP Fit Center 3849 is at 1.550858 -5.584406 -0.360921 ESP Fit Center 3850 is at 1.967819 -5.570466 -0.360921 ESP Fit Center 3851 is at 2.379201 -5.501074 -0.360921 ESP Fit Center 3852 is at 2.777664 -5.377470 -0.360921 ESP Fit Center 3853 is at 3.156097 -5.201859 -0.360921 ESP Fit Center 3854 is at 3.507746 -4.977374 -0.360921 ESP Fit Center 3855 is at 3.826337 -4.708022 -0.360921 ESP Fit Center 3856 is at 4.106184 -4.398610 -0.360921 ESP Fit Center 3857 is at 4.342293 -4.054658 -0.360921 ESP Fit Center 3858 is at 4.530452 -3.682305 -0.360921 ESP Fit Center 3859 is at 4.667302 -3.288195 -0.360921 ESP Fit Center 3860 is at 4.750401 -2.879361 -0.360921 ESP Fit Center 3861 is at 4.697881 -2.463099 -0.765044 ESP Fit Center 3862 is at 4.669542 -2.048789 -0.765044 ESP Fit Center 3863 is at 4.585051 -1.642198 -0.765044 ESP Fit Center 3864 is at -0.421566 -4.686789 -0.765044 ESP Fit Center 3865 is at -0.099431 -4.948866 -0.765044 ESP Fit Center 3866 is at 0.255391 -5.164638 -0.765044 ESP Fit Center 3867 is at 0.636288 -5.330085 -0.765044 ESP Fit Center 3868 is at 1.036166 -5.442125 -0.765044 ESP Fit Center 3869 is at 1.447576 -5.498672 -0.765044 ESP Fit Center 3870 is at 1.862854 -5.498672 -0.765044 ESP Fit Center 3871 is at 2.274264 -5.442125 -0.765044 ESP Fit Center 3872 is at 2.674142 -5.330085 -0.765044 ESP Fit Center 3873 is at 3.055040 -5.164638 -0.765044 ESP Fit Center 3874 is at 3.409861 -4.948866 -0.765044 ESP Fit Center 3875 is at 3.731997 -4.686789 -0.765044 ESP Fit Center 3876 is at 4.015446 -4.383289 -0.765044 ESP Fit Center 3877 is at 4.254928 -4.044020 -0.765044 ESP Fit Center 3878 is at 4.445983 -3.675301 -0.765044 ESP Fit Center 3879 is at 4.585051 -3.284001 -0.765044 ESP Fit Center 3880 is at 4.669542 -2.877409 -0.765044 ESP Fit Center 3881 is at 4.565436 -2.463099 -1.155217 ESP Fit Center 3882 is at 4.535814 -2.048932 -1.155217 ESP Fit Center 3883 is at 4.447551 -1.643195 -1.155217 ESP Fit Center 3884 is at 4.302445 -1.254150 -1.155217 ESP Fit Center 3885 is at -0.544183 -4.368888 -1.155217 ESP Fit Center 3886 is at -0.250574 -4.662497 -1.155217 ESP Fit Center 3887 is at 0.081831 -4.911332 -1.155217 ESP Fit Center 3888 is at 0.446266 -5.110329 -1.155217 ESP Fit Center 3889 is at 0.835311 -5.255435 -1.155217 ESP Fit Center 3890 is at 1.241048 -5.343698 -1.155217 ESP Fit Center 3891 is at 1.655215 -5.373320 -1.155217 ESP Fit Center 3892 is at 2.069383 -5.343698 -1.155217 ESP Fit Center 3893 is at 2.475119 -5.255435 -1.155217 ESP Fit Center 3894 is at 2.864164 -5.110329 -1.155217 ESP Fit Center 3895 is at 3.228599 -4.911332 -1.155217 ESP Fit Center 3896 is at 3.561004 -4.662497 -1.155217 ESP Fit Center 3897 is at 3.854613 -4.368888 -1.155217 ESP Fit Center 3898 is at 4.103448 -4.036483 -1.155217 ESP Fit Center 3899 is at 4.302445 -3.672048 -1.155217 ESP Fit Center 3900 is at 4.447551 -3.283003 -1.155217 ESP Fit Center 3901 is at 4.535814 -2.877267 -1.155217 ESP Fit Center 3902 is at 4.383195 -2.463099 -1.524764 ESP Fit Center 3903 is at 4.351224 -2.046675 -1.524764 ESP Fit Center 3904 is at 4.256061 -1.640011 -1.524764 ESP Fit Center 3905 is at 4.099937 -1.252640 -1.524764 ESP Fit Center 3906 is at -0.159780 -4.499681 -1.524764 ESP Fit Center 3907 is at 0.172374 -4.752871 -1.524764 ESP Fit Center 3908 is at 0.539284 -4.952391 -1.524764 ESP Fit Center 3909 is at 0.932351 -5.093563 -1.524764 ESP Fit Center 3910 is at 1.342361 -5.173080 -1.524764 ESP Fit Center 3911 is at 1.759704 -5.189077 -1.524764 ESP Fit Center 3912 is at 2.174598 -5.141180 -1.524764 ESP Fit Center 3913 is at 2.577318 -5.030510 -1.524764 ESP Fit Center 3914 is at 2.958425 -4.859663 -1.524764 ESP Fit Center 3915 is at 3.308986 -4.632642 -1.524764 ESP Fit Center 3916 is at 3.620784 -4.354769 -1.524764 ESP Fit Center 3917 is at 3.886510 -4.032557 -1.524764 ESP Fit Center 3918 is at 4.099937 -3.673558 -1.524764 ESP Fit Center 3919 is at 4.256061 -3.286187 -1.524764 ESP Fit Center 3920 is at 4.351224 -2.879523 -1.524764 ESP Fit Center 3921 is at 4.154278 -2.463099 -1.867362 ESP Fit Center 3922 is at 4.120194 -2.051767 -1.867362 ESP Fit Center 3923 is at 4.018872 -1.651655 -1.867362 ESP Fit Center 3924 is at 3.853075 -1.273677 -1.867362 ESP Fit Center 3925 is at 3.627327 -0.928143 -1.867362 ESP Fit Center 3926 is at -0.037354 -4.301720 -1.867362 ESP Fit Center 3927 is at 0.288357 -4.555231 -1.867362 ESP Fit Center 3928 is at 0.651353 -4.751674 -1.867362 ESP Fit Center 3929 is at 1.041731 -4.885691 -1.867362 ESP Fit Center 3930 is at 1.448844 -4.953627 -1.867362 ESP Fit Center 3931 is at 1.861586 -4.953627 -1.867362 ESP Fit Center 3932 is at 2.268699 -4.885691 -1.867362 ESP Fit Center 3933 is at 2.659077 -4.751674 -1.867362 ESP Fit Center 3934 is at 3.022073 -4.555231 -1.867362 ESP Fit Center 3935 is at 3.347784 -4.301720 -1.867362 ESP Fit Center 3936 is at 3.627327 -3.998055 -1.867362 ESP Fit Center 3937 is at 3.853075 -3.652522 -1.867362 ESP Fit Center 3938 is at 4.018872 -3.274544 -1.867362 ESP Fit Center 3939 is at 4.120194 -2.874431 -1.867362 ESP Fit Center 3940 is at 3.882601 -2.463099 -2.177150 ESP Fit Center 3941 is at 3.842350 -2.041563 -2.177150 ESP Fit Center 3942 is at 3.723049 -1.635263 -2.177150 ESP Fit Center 3943 is at 3.529012 -1.258883 -2.177150 ESP Fit Center 3944 is at 3.267250 -0.926027 -2.177150 ESP Fit Center 3945 is at -0.095629 -3.839978 -2.177150 ESP Fit Center 3946 is at 0.196587 -4.146445 -2.177150 ESP Fit Center 3947 is at 0.541522 -4.392072 -2.177150 ESP Fit Center 3948 is at 0.926708 -4.567981 -2.177150 ESP Fit Center 3949 is at 1.338225 -4.667814 -2.177150 ESP Fit Center 3950 is at 1.761198 -4.687963 -2.177150 ESP Fit Center 3951 is at 2.180341 -4.627699 -2.177150 ESP Fit Center 3952 is at 2.580505 -4.489201 -2.177150 ESP Fit Center 3953 is at 2.947226 -4.277474 -2.177150 ESP Fit Center 3954 is at 3.267250 -4.000172 -2.177150 ESP Fit Center 3955 is at 3.529012 -3.667315 -2.177150 ESP Fit Center 3956 is at 3.723049 -3.290935 -2.177150 ESP Fit Center 3957 is at 3.842350 -2.884635 -2.177150 ESP Fit Center 3958 is at 3.572814 -2.463099 -2.448827 ESP Fit Center 3959 is at 3.527981 -2.050872 -2.448827 ESP Fit Center 3960 is at 3.395580 -1.657920 -2.448827 ESP Fit Center 3961 is at 3.181802 -1.302618 -2.448827 ESP Fit Center 3962 is at 2.896642 -1.001578 -2.448827 ESP Fit Center 3963 is at 2.553434 -0.768878 -2.448827 ESP Fit Center 3964 is at 0.263047 -3.781831 -2.448827 ESP Fit Center 3965 is at 0.579084 -4.050274 -2.448827 ESP Fit Center 3966 is at 0.945439 -4.244503 -2.448827 ESP Fit Center 3967 is at 1.344982 -4.355436 -2.448827 ESP Fit Center 3968 is at 1.759032 -4.377885 -2.448827 ESP Fit Center 3969 is at 2.168227 -4.310801 -2.448827 ESP Fit Center 3970 is at 2.553434 -4.157321 -2.448827 ESP Fit Center 3971 is at 2.896642 -3.924620 -2.448827 ESP Fit Center 3972 is at 3.181802 -3.623580 -2.448827 ESP Fit Center 3973 is at 3.395580 -3.268278 -2.448827 ESP Fit Center 3974 is at 3.527981 -2.875326 -2.448827 ESP Fit Center 3975 is at 3.230215 -2.463099 -2.677744 ESP Fit Center 3976 is at 3.176548 -2.055459 -2.677744 ESP Fit Center 3977 is at 3.019205 -1.675599 -2.677744 ESP Fit Center 3978 is at 2.768908 -1.349406 -2.677744 ESP Fit Center 3979 is at 2.442715 -1.099109 -2.677744 ESP Fit Center 3980 is at 2.062855 -0.941766 -2.677744 ESP Fit Center 3981 is at 0.541522 -1.349406 -2.677744 ESP Fit Center 3982 is at 0.291225 -1.675599 -2.677744 ESP Fit Center 3983 is at 0.291225 -3.250599 -2.677744 ESP Fit Center 3984 is at 0.541522 -3.576792 -2.677744 ESP Fit Center 3985 is at 0.867715 -3.827089 -2.677744 ESP Fit Center 3986 is at 1.247575 -3.984432 -2.677744 ESP Fit Center 3987 is at 1.655215 -4.038099 -2.677744 ESP Fit Center 3988 is at 2.062855 -3.984432 -2.677744 ESP Fit Center 3989 is at 2.442715 -3.827089 -2.677744 ESP Fit Center 3990 is at 2.768908 -3.576792 -2.677744 ESP Fit Center 3991 is at 3.019205 -3.250599 -2.677744 ESP Fit Center 3992 is at 3.176548 -2.870739 -2.677744 ESP Fit Center 3993 is at 2.860668 -2.463099 -2.859984 ESP Fit Center 3994 is at 2.787970 -2.050810 -2.859984 ESP Fit Center 3995 is at 2.578646 -1.688249 -2.859984 ESP Fit Center 3996 is at 2.257942 -1.419146 -2.859984 ESP Fit Center 3997 is at 1.864540 -1.275960 -2.859984 ESP Fit Center 3998 is at 1.445890 -1.275960 -2.859984 ESP Fit Center 3999 is at 1.052489 -1.419146 -2.859984 ESP Fit Center 4000 is at 0.731785 -1.688249 -2.859984 ESP Fit Center 4001 is at 0.522460 -2.050810 -2.859984 ESP Fit Center 4002 is at 0.449762 -2.463099 -2.859984 ESP Fit Center 4003 is at 0.522460 -2.875388 -2.859984 ESP Fit Center 4004 is at 0.731785 -3.237949 -2.859984 ESP Fit Center 4005 is at 1.052489 -3.507052 -2.859984 ESP Fit Center 4006 is at 1.445890 -3.650238 -2.859984 ESP Fit Center 4007 is at 1.864540 -3.650238 -2.859984 ESP Fit Center 4008 is at 2.257942 -3.507052 -2.859984 ESP Fit Center 4009 is at 2.578646 -3.237949 -2.859984 ESP Fit Center 4010 is at 2.787970 -2.875388 -2.859984 ESP Fit Center 4011 is at 2.470495 -2.463099 -2.992430 ESP Fit Center 4012 is at 2.361268 -2.055459 -2.992430 ESP Fit Center 4013 is at 2.062855 -1.757046 -2.992430 ESP Fit Center 4014 is at 1.655215 -1.647819 -2.992430 ESP Fit Center 4015 is at 1.247575 -1.757046 -2.992430 ESP Fit Center 4016 is at 0.949162 -2.055459 -2.992430 ESP Fit Center 4017 is at 0.839935 -2.463099 -2.992430 ESP Fit Center 4018 is at 0.949162 -2.870739 -2.992430 ESP Fit Center 4019 is at 1.247575 -3.169152 -2.992430 ESP Fit Center 4020 is at 1.655215 -3.278379 -2.992430 ESP Fit Center 4021 is at 2.062855 -3.169152 -2.992430 ESP Fit Center 4022 is at 2.361268 -2.870739 -2.992430 ESP Fit Center 4023 is at 2.066373 -2.463099 -3.072815 ESP Fit Center 4024 is at 1.860794 -2.107026 -3.072815 ESP Fit Center 4025 is at 1.449636 -2.107026 -3.072815 ESP Fit Center 4026 is at 1.244058 -2.463099 -3.072815 ESP Fit Center 4027 is at 1.449636 -2.819172 -3.072815 ESP Fit Center 4028 is at 1.860794 -2.819172 -3.072815 ESP Fit Center 4029 is at 1.655215 -2.463099 -3.099764 ESP Fit Center 4030 is at 0.285212 0.380113 2.378357 ESP Fit Center 4031 is at 0.807037 0.445460 -2.595213 ESP Fit Center 4032 is at 0.702385 -0.342452 -2.757348 ESP Fit Center 4033 is at 0.590604 0.074721 -2.757348 ESP Fit Center 4034 is at 0.285212 -1.065017 -2.757348 ESP Fit Center 4035 is at 0.590604 -0.759625 -2.757348 ESP Fit Center 4036 is at 0.290412 -0.342452 -2.856254 ESP Fit Center 4037 is at 0.079226 0.023334 -2.856254 ESP Fit Center 4038 is at -0.343148 0.023334 -2.856254 ESP Fit Center 4039 is at -0.554334 -0.342452 -2.856254 ESP Fit Center 4040 is at -0.343148 -0.708238 -2.856254 ESP Fit Center 4041 is at 0.079226 -0.708238 -2.856254 ESP Fit Center 4042 is at -0.131961 -0.342452 -2.889495 ESP Fit Center 4043 is at -0.065188 0.982114 2.414232 ESP Fit Center 4044 is at -0.276375 1.347900 2.414232 ESP Fit Center 4045 is at -0.276375 0.616328 2.414232 ESP Fit Center 4046 is at 0.664290 0.562874 -2.658244 ESP Fit Center 4047 is at 0.346785 0.982114 -2.820379 ESP Fit Center 4048 is at 0.235003 1.399287 -2.820379 ESP Fit Center 4049 is at -0.070388 1.704679 -2.820379 ESP Fit Center 4050 is at -0.487561 1.816460 -2.820379 ESP Fit Center 4051 is at -0.904734 0.259549 -2.820379 ESP Fit Center 4052 is at 0.235003 0.564941 -2.820379 ESP Fit Center 4053 is at -0.065188 0.982114 -2.919285 ESP Fit Center 4054 is at -0.276375 1.347900 -2.919285 ESP Fit Center 4055 is at -0.698748 1.347900 -2.919285 ESP Fit Center 4056 is at -0.909934 0.982114 -2.919285 ESP Fit Center 4057 is at -0.698748 0.616328 -2.919285 ESP Fit Center 4058 is at -0.276375 0.616328 -2.919285 ESP Fit Center 4059 is at -0.487561 0.982114 -2.952526 ESP Fit Center 4060 is at 0.433362 1.948195 2.530134 ESP Fit Center 4061 is at 0.855735 1.948195 2.496893 ESP Fit Center 4062 is at 0.644549 2.313981 2.496893 ESP Fit Center 4063 is at 0.222176 2.313981 2.496893 ESP Fit Center 4064 is at 0.010989 1.948195 2.496893 ESP Fit Center 4065 is at 0.222176 1.582410 2.496893 ESP Fit Center 4066 is at 0.644549 1.582410 2.496893 ESP Fit Center 4067 is at 0.850535 2.670760 2.397987 ESP Fit Center 4068 is at 0.433362 2.782541 2.397987 ESP Fit Center 4069 is at 0.016189 2.670760 2.397987 ESP Fit Center 4070 is at 0.016189 1.225631 2.397987 ESP Fit Center 4071 is at 0.433362 1.113850 2.397987 ESP Fit Center 4072 is at 1.046249 3.009747 2.235852 ESP Fit Center 4073 is at 0.646216 3.155347 2.235852 ESP Fit Center 4074 is at 0.220509 3.155347 2.235852 ESP Fit Center 4075 is at -0.179525 3.009747 2.235852 ESP Fit Center 4076 is at 1.226872 3.322595 2.014480 ESP Fit Center 4077 is at 0.844113 3.481139 2.014480 ESP Fit Center 4078 is at 0.433362 3.535216 2.014480 ESP Fit Center 4079 is at 0.022611 3.481139 2.014480 ESP Fit Center 4080 is at 1.261728 3.668315 1.739323 ESP Fit Center 4081 is at 0.858196 3.809516 1.739323 ESP Fit Center 4082 is at 0.433362 3.857384 1.739323 ESP Fit Center 4083 is at 1.623721 3.440859 -2.079054 ESP Fit Center 4084 is at 1.261728 3.668315 -2.079054 ESP Fit Center 4085 is at 1.555555 3.070388 -2.354211 ESP Fit Center 4086 is at 1.226872 3.322595 -2.354211 ESP Fit Center 4087 is at 0.844113 3.481139 -2.354211 ESP Fit Center 4088 is at 0.433362 3.535216 -2.354211 ESP Fit Center 4089 is at 0.022611 3.481139 -2.354211 ESP Fit Center 4090 is at -0.360148 3.322595 -2.354211 ESP Fit Center 4091 is at 1.372360 2.736108 -2.575583 ESP Fit Center 4092 is at 1.046249 3.009747 -2.575583 ESP Fit Center 4093 is at 0.646216 3.155347 -2.575583 ESP Fit Center 4094 is at 0.220509 3.155347 -2.575583 ESP Fit Center 4095 is at -0.179525 3.009747 -2.575583 ESP Fit Center 4096 is at -0.505636 2.736108 -2.575583 ESP Fit Center 4097 is at 1.046249 0.886644 -2.575583 ESP Fit Center 4098 is at 1.267708 1.948195 -2.737718 ESP Fit Center 4099 is at 1.155927 2.365368 -2.737718 ESP Fit Center 4100 is at 0.850535 2.670760 -2.737718 ESP Fit Center 4101 is at 0.433362 2.782541 -2.737718 ESP Fit Center 4102 is at 0.016189 2.670760 -2.737718 ESP Fit Center 4103 is at -0.289203 2.365368 -2.737718 ESP Fit Center 4104 is at 0.850535 1.225631 -2.737718 ESP Fit Center 4105 is at 1.155927 1.531022 -2.737718 ESP Fit Center 4106 is at 0.855735 1.948195 -2.836624 ESP Fit Center 4107 is at 0.644549 2.313981 -2.836624 ESP Fit Center 4108 is at 0.222176 2.313981 -2.836624 ESP Fit Center 4109 is at 0.010989 1.948195 -2.836624 ESP Fit Center 4110 is at 0.222176 1.582410 -2.836624 ESP Fit Center 4111 is at 0.644549 1.582410 -2.836624 ESP Fit Center 4112 is at 0.433362 1.948195 -2.869866 ESP Fit Center 4113 is at -1.169769 -4.311654 -0.435909 ESP Fit Center 4114 is at -1.836471 -4.104479 -0.857304 ESP Fit Center 4115 is at -1.462938 -4.275066 -0.857304 ESP Fit Center 4116 is at -1.063871 -4.371879 -0.857304 ESP Fit Center 4117 is at -2.254474 -3.731868 -1.278699 ESP Fit Center 4118 is at -1.933445 -3.995330 -1.278699 ESP Fit Center 4119 is at -1.567185 -4.191100 -1.278699 ESP Fit Center 4120 is at -1.169769 -4.311654 -1.278699 ESP Fit Center 4121 is at -0.756471 -4.352361 -1.278699 ESP Fit Center 4122 is at -2.091775 -3.716869 -1.683900 ESP Fit Center 4123 is at -1.754261 -3.962087 -1.683900 ESP Fit Center 4124 is at -1.373139 -4.131774 -1.683900 ESP Fit Center 4125 is at -0.965066 -4.218512 -1.683900 ESP Fit Center 4126 is at -0.547876 -4.218512 -1.683900 ESP Fit Center 4127 is at -1.988944 -3.540209 -2.057336 ESP Fit Center 4128 is at -1.654458 -3.789224 -2.057336 ESP Fit Center 4129 is at -1.271562 -3.954389 -2.057336 ESP Fit Center 4130 is at -0.860898 -4.026800 -2.057336 ESP Fit Center 4131 is at -0.444604 -4.002554 -2.057336 ESP Fit Center 4132 is at -1.941254 -3.197757 -2.384655 ESP Fit Center 4133 is at -1.637264 -3.481664 -2.384655 ESP Fit Center 4134 is at -1.267950 -3.673027 -2.384655 ESP Fit Center 4135 is at -0.860701 -3.757655 -2.384655 ESP Fit Center 4136 is at -0.445723 -3.729269 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-4.436333 2.599043 ESP Fit Center 4173 is at -1.248716 -4.297041 2.599043 ESP Fit Center 4174 is at -0.908899 -4.057171 2.599043 ESP Fit Center 4175 is at -3.639061 -3.555188 2.271724 ESP Fit Center 4176 is at -3.451912 -3.927833 2.271724 ESP Fit Center 4177 is at -3.183869 -4.247273 2.271724 ESP Fit Center 4178 is at -2.849384 -4.496288 2.271724 ESP Fit Center 4179 is at -2.466488 -4.661453 2.271724 ESP Fit Center 4180 is at -2.055824 -4.733864 2.271724 ESP Fit Center 4181 is at -1.639529 -4.709618 2.271724 ESP Fit Center 4182 is at -1.240048 -4.590021 2.271724 ESP Fit Center 4183 is at -0.878915 -4.381521 2.271724 ESP Fit Center 4184 is at -0.575601 -4.095359 2.271724 ESP Fit Center 4185 is at -3.903369 -3.355833 1.898289 ESP Fit Center 4186 is at -3.774450 -3.752604 1.898289 ESP Fit Center 4187 is at -3.565855 -4.113901 1.898289 ESP Fit Center 4188 is at -3.286701 -4.423933 1.898289 ESP Fit Center 4189 is at -2.949187 -4.669151 1.898289 ESP Fit Center 4190 is at -2.568065 -4.838838 1.898289 ESP Fit Center 4191 is at -2.159992 -4.925576 1.898289 ESP Fit Center 4192 is at -1.742802 -4.925576 1.898289 ESP Fit Center 4193 is at -1.334729 -4.838838 1.898289 ESP Fit Center 4194 is at -0.953607 -4.669151 1.898289 ESP Fit Center 4195 is at -0.616093 -4.423933 1.898289 ESP Fit Center 4196 is at -0.336939 -4.113901 1.898289 ESP Fit Center 4197 is at -4.029187 -3.354227 1.493088 ESP Fit Center 4198 is at -3.908632 -3.751642 1.493088 ESP Fit Center 4199 is at -3.712862 -4.117902 1.493088 ESP Fit Center 4200 is at -3.449400 -4.438932 1.493088 ESP Fit Center 4201 is at -3.128370 -4.702394 1.493088 ESP Fit Center 4202 is at -2.762110 -4.898164 1.493088 ESP Fit Center 4203 is at -2.364695 -5.018719 1.493088 ESP Fit Center 4204 is at -1.951397 -5.059425 1.493088 ESP Fit Center 4205 is at -1.538099 -5.018719 1.493088 ESP Fit Center 4206 is at -1.140684 -4.898164 1.493088 ESP Fit Center 4207 is at -0.774424 -4.702394 1.493088 ESP Fit Center 4208 is at -0.453394 -4.438932 1.493088 ESP Fit Center 4209 is at -4.101616 -3.146250 1.071693 ESP Fit Center 4210 is at -4.023902 -3.549471 1.071693 ESP Fit Center 4211 is at -3.871282 -3.930698 1.071693 ESP Fit Center 4212 is at -3.649272 -4.276152 1.071693 ESP Fit Center 4213 is at -3.365896 -4.573348 1.071693 ESP Fit Center 4214 is at -3.031397 -4.811544 1.071693 ESP Fit Center 4215 is at -2.657864 -4.982130 1.071693 ESP Fit Center 4216 is at -2.258797 -5.078943 1.071693 ESP Fit Center 4217 is at -1.848620 -5.098482 1.071693 ESP Fit Center 4218 is at -1.442158 -5.040042 1.071693 ESP Fit Center 4219 is at -1.054101 -4.905734 1.071693 ESP Fit Center 4220 is at -0.698474 -4.700413 1.071693 ESP Fit Center 4221 is at -4.029187 -3.354227 0.650298 ESP Fit Center 4222 is at -3.908632 -3.751642 0.650298 ESP Fit Center 4223 is at -3.712862 -4.117902 0.650298 ESP Fit Center 4224 is at -3.449400 -4.438932 0.650298 ESP Fit Center 4225 is at -3.128370 -4.702394 0.650298 ESP Fit Center 4226 is at -2.762110 -4.898164 0.650298 ESP Fit Center 4227 is at -2.364695 -5.018719 0.650298 ESP Fit Center 4228 is at -1.951397 -5.059425 0.650298 ESP Fit Center 4229 is at -1.538099 -5.018719 0.650298 ESP Fit Center 4230 is at -1.140684 -4.898164 0.650298 ESP Fit Center 4231 is at -0.774424 -4.702394 0.650298 ESP Fit Center 4232 is at -3.903369 -3.355833 0.245096 ESP Fit Center 4233 is at -3.774450 -3.752604 0.245096 ESP Fit Center 4234 is at -3.565855 -4.113901 0.245096 ESP Fit Center 4235 is at -3.286701 -4.423933 0.245096 ESP Fit Center 4236 is at -2.949187 -4.669151 0.245096 ESP Fit Center 4237 is at -2.568065 -4.838838 0.245096 ESP Fit Center 4238 is at -2.159992 -4.925576 0.245096 ESP Fit Center 4239 is at -1.742802 -4.925576 0.245096 ESP Fit Center 4240 is at -1.334729 -4.838838 0.245096 ESP Fit Center 4241 is at -0.953607 -4.669151 0.245096 ESP Fit Center 4242 is at -3.639061 -3.555188 -0.128339 ESP Fit Center 4243 is at -3.451912 -3.927833 -0.128339 ESP Fit Center 4244 is at -3.183869 -4.247273 -0.128339 ESP Fit Center 4245 is at -2.849384 -4.496288 -0.128339 ESP Fit Center 4246 is at -2.466488 -4.661453 -0.128339 ESP Fit Center 4247 is at -2.055824 -4.733864 -0.128339 ESP Fit Center 4248 is at -1.639529 -4.709618 -0.128339 ESP Fit Center 4249 is at -1.240048 -4.590021 -0.128339 ESP Fit Center 4250 is at -0.878915 -4.381521 -0.128339 ESP Fit Center 4251 is at -3.136180 -3.904821 -0.455658 ESP Fit Center 4252 is at -2.832190 -4.188728 -0.455658 ESP Fit Center 4253 is at -2.462876 -4.380091 -0.455658 ESP Fit Center 4254 is at -2.055627 -4.464719 -0.455658 ESP Fit Center 4255 is at -1.640648 -4.436333 -0.455658 ESP Fit Center 4256 is at -2.551413 -3.980187 -0.724282 ESP Fit Center 4257 is at -2.159780 -4.122729 -0.724282 ESP Fit Center 4258 is at -0.968957 -1.726764 4.035967 ESP Fit Center 4259 is at -0.547562 -1.726764 3.994463 ESP Fit Center 4260 is at -0.758260 -1.361825 3.994463 ESP Fit Center 4261 is at -1.179655 -1.361825 3.994463 ESP Fit Center 4262 is at -1.390353 -1.726764 3.994463 ESP Fit Center 4263 is at -1.179655 -2.091702 3.994463 ESP Fit Center 4264 is at -0.758260 -2.091702 3.994463 ESP Fit Center 4265 is at -0.142361 -1.726764 3.871547 ESP Fit Center 4266 is at -0.253104 -1.313465 3.871547 ESP Fit Center 4267 is at -0.555659 -1.010910 3.871547 ESP Fit Center 4268 is at -0.968957 -0.900167 3.871547 ESP Fit Center 4269 is at -1.382256 -1.010910 3.871547 ESP Fit Center 4270 is at -1.684811 -1.313465 3.871547 ESP Fit Center 4271 is at -1.795554 -1.726764 3.871547 ESP Fit Center 4272 is at -1.684811 -2.140062 3.871547 ESP Fit Center 4273 is at -1.382256 -2.442617 3.871547 ESP Fit Center 4274 is at -0.968957 -2.553360 3.871547 ESP Fit Center 4275 is at -0.555659 -2.442617 3.871547 ESP Fit Center 4276 is at -0.253104 -2.140062 3.871547 ESP Fit Center 4277 is at 0.231074 -1.726764 3.671942 ESP Fit Center 4278 is at 0.158703 -1.316328 3.671942 ESP Fit Center 4279 is at -0.049680 -0.955398 3.671942 ESP Fit Center 4280 is at -0.368942 -0.687506 3.671942 ESP Fit Center 4281 is at -0.760574 -0.544963 3.671942 ESP Fit Center 4282 is at -1.177341 -0.544963 3.671942 ESP Fit Center 4283 is at -1.568973 -0.687506 3.671942 ESP Fit Center 4284 is at -1.888235 -0.955398 3.671942 ESP Fit Center 4285 is at -1.568973 -2.766021 3.671942 ESP Fit Center 4286 is at -1.177341 -2.908564 3.671942 ESP Fit Center 4287 is at -0.760574 -2.908564 3.671942 ESP Fit Center 4288 is at -0.368942 -2.766021 3.671942 ESP Fit Center 4289 is at -0.049680 -2.498129 3.671942 ESP Fit Center 4290 is at 0.158703 -2.137199 3.671942 ESP Fit Center 4291 is at 0.558393 -1.726764 3.403318 ESP Fit Center 4292 is at 0.501755 -1.314689 3.403318 ESP Fit Center 4293 is at 0.336041 -0.933177 3.403318 ESP Fit Center 4294 is at 0.073541 -0.610521 3.403318 ESP Fit Center 4295 is at -0.266277 -0.370651 3.403318 ESP Fit Center 4296 is at -0.658209 -0.231359 3.403318 ESP Fit Center 4297 is at -1.073188 -0.202973 3.403318 ESP Fit Center 4298 is at -1.480436 -0.287601 3.403318 ESP Fit Center 4299 is at -1.849751 -0.478964 3.403318 ESP Fit Center 4300 is at -1.073188 -3.250554 3.403318 ESP Fit Center 4301 is at -0.658209 -3.222168 3.403318 ESP Fit Center 4302 is at -0.266277 -3.082876 3.403318 ESP Fit Center 4303 is at 0.073541 -2.843006 3.403318 ESP Fit Center 4304 is at 0.336041 -2.520350 3.403318 ESP Fit Center 4305 is at 0.501755 -2.138838 3.403318 ESP Fit Center 4306 is at 0.827017 -1.726764 3.075999 ESP Fit Center 4307 is at 0.778606 -1.312583 3.075999 ESP Fit Center 4308 is at 0.635984 -0.920732 3.075999 ESP Fit Center 4309 is at 0.406839 -0.572333 3.075999 ESP Fit Center 4310 is at 0.103524 -0.286171 3.075999 ESP Fit Center 4311 is at -0.257608 -0.077671 3.075999 ESP Fit Center 4312 is at -0.657090 0.041926 3.075999 ESP Fit Center 4313 is at -1.073384 0.066172 3.075999 ESP Fit Center 4314 is at -1.484049 -0.006239 3.075999 ESP Fit Center 4315 is at -0.657090 -3.495453 3.075999 ESP Fit Center 4316 is at -0.257608 -3.375856 3.075999 ESP Fit Center 4317 is at 0.103524 -3.167356 3.075999 ESP Fit Center 4318 is at 0.406839 -2.881194 3.075999 ESP Fit Center 4319 is at 0.635984 -2.532795 3.075999 ESP Fit Center 4320 is at 0.778606 -2.140944 3.075999 ESP Fit Center 4321 is at 0.854095 -0.915088 2.702563 ESP Fit Center 4322 is at 0.645501 -0.553791 2.702563 ESP Fit Center 4323 is at 0.366346 -0.243759 2.702563 ESP Fit Center 4324 is at 0.028832 0.001459 2.702563 ESP Fit Center 4325 is at -0.352289 0.171146 2.702563 ESP Fit Center 4326 is at -0.760363 0.257884 2.702563 ESP Fit Center 4327 is at -0.352289 -3.624673 2.702563 ESP Fit Center 4328 is at 0.028832 -3.454986 2.702563 ESP Fit Center 4329 is at 3.908147 0.003574 2.152873 ESP Fit Center 4330 is at 3.797404 0.416872 2.152873 ESP Fit Center 4331 is at 3.494849 -0.712280 2.152873 ESP Fit Center 4332 is at 3.797404 -0.409724 2.152873 ESP Fit Center 4333 is at 4.281582 0.003574 1.953268 ESP Fit Center 4334 is at 4.209212 0.414009 1.953268 ESP Fit Center 4335 is at 4.000828 0.774939 1.953268 ESP Fit Center 4336 is at 4.000828 -0.767792 1.953268 ESP Fit Center 4337 is at 4.209212 -0.406861 1.953268 ESP Fit Center 4338 is at 4.608901 0.003574 1.684644 ESP Fit Center 4339 is at 4.552263 0.415648 1.684644 ESP Fit Center 4340 is at 4.386549 0.797161 1.684644 ESP Fit Center 4341 is at 4.124049 -1.112669 1.684644 ESP Fit Center 4342 is at 4.386549 -0.790013 1.684644 ESP Fit Center 4343 is at 4.552263 -0.408501 1.684644 ESP Fit Center 4344 is at 4.877525 0.003574 1.357325 ESP Fit Center 4345 is at 4.829114 0.417754 1.357325 ESP Fit Center 4346 is at 4.686492 0.809605 1.357325 ESP Fit Center 4347 is at 4.457347 -1.150856 1.357325 ESP Fit Center 4348 is at 4.686492 -0.802458 1.357325 ESP Fit Center 4349 is at 4.829114 -0.410607 1.357325 ESP Fit Center 4350 is at 5.077130 0.003574 0.983890 ESP Fit Center 4351 is at 5.033522 0.418478 0.983890 ESP Fit Center 4352 is at 4.904604 0.815249 0.983890 ESP Fit Center 4353 is at 4.696009 -1.169399 0.983890 ESP Fit Center 4354 is at 4.904604 -0.808102 0.983890 ESP Fit Center 4355 is at 5.033522 -0.411331 0.983890 ESP Fit Center 4356 is at 5.200047 0.003574 0.578689 ESP Fit Center 4357 is at 5.159341 0.416872 0.578689 ESP Fit Center 4358 is at 5.038786 0.814287 0.578689 ESP Fit Center 4359 is at 4.843016 -1.173400 0.578689 ESP Fit Center 4360 is at 5.038786 -0.807140 0.578689 ESP Fit Center 4361 is at 5.159341 -0.409724 0.578689 ESP Fit Center 4362 is at 5.241551 0.003574 0.157293 ESP Fit Center 4363 is at 5.202517 0.412356 0.157293 ESP Fit Center 4364 is at 5.086825 0.806365 0.157293 ESP Fit Center 4365 is at 4.898658 -1.164211 0.157293 ESP Fit Center 4366 is at 5.086825 -0.799217 0.157293 ESP Fit Center 4367 is at 5.202517 -0.405209 0.157293 ESP Fit Center 4368 is at 5.200047 0.003574 -0.264102 ESP Fit Center 4369 is at 5.159341 0.416872 -0.264102 ESP Fit Center 4370 is at 5.038786 0.814287 -0.264102 ESP Fit Center 4371 is at 4.843016 -1.173400 -0.264102 ESP Fit Center 4372 is at 5.038786 -0.807140 -0.264102 ESP Fit Center 4373 is at 5.159341 -0.409724 -0.264102 ESP Fit Center 4374 is at 5.077130 0.003574 -0.669303 ESP Fit Center 4375 is at 5.033522 0.418478 -0.669303 ESP Fit Center 4376 is at 4.904604 0.815249 -0.669303 ESP Fit Center 4377 is at 4.696009 -1.169399 -0.669303 ESP Fit Center 4378 is at 4.904604 -0.808102 -0.669303 ESP Fit Center 4379 is at 5.033522 -0.411331 -0.669303 ESP Fit Center 4380 is at 4.877525 0.003574 -1.042738 ESP Fit Center 4381 is at 4.829114 0.417754 -1.042738 ESP Fit Center 4382 is at 4.686492 0.809605 -1.042738 ESP Fit Center 4383 is at 4.457347 -1.150856 -1.042738 ESP Fit Center 4384 is at 4.686492 -0.802458 -1.042738 ESP Fit Center 4385 is at 4.829114 -0.410607 -1.042738 ESP Fit Center 4386 is at 4.608901 0.003574 -1.370057 ESP Fit Center 4387 is at 4.552263 0.415648 -1.370057 ESP Fit Center 4388 is at 4.386549 0.797161 -1.370057 ESP Fit Center 4389 is at 4.124049 -1.112669 -1.370057 ESP Fit Center 4390 is at 4.386549 -0.790013 -1.370057 ESP Fit Center 4391 is at 4.552263 -0.408501 -1.370057 ESP Fit Center 4392 is at 4.281582 0.003574 -1.638681 ESP Fit Center 4393 is at 4.209212 0.414009 -1.638681 ESP Fit Center 4394 is at 4.000828 -0.767792 -1.638681 ESP Fit Center 4395 is at 4.209212 -0.406861 -1.638681 ESP Fit Center 4396 is at -4.637697 1.360715 -0.843656 ESP Fit Center 4397 is at -4.503769 1.783369 -1.255629 ESP Fit Center 4398 is at -4.538791 1.360715 -1.255629 ESP Fit Center 4399 is at -4.231574 2.183519 -1.647057 ESP Fit Center 4400 is at -4.340108 1.778463 -1.647057 ESP Fit Center 4401 is at -4.376656 1.360715 -1.647057 ESP Fit Center 4402 is at -4.340108 0.942966 -1.647057 ESP Fit Center 4403 is at -4.145393 1.568350 -2.008303 ESP Fit Center 4404 is at -4.145393 1.153079 -2.008303 ESP Fit Center 4405 is at -4.066803 0.745313 -2.008303 ESP Fit Center 4406 is at -3.832259 0.935880 -2.330471 ESP Fit Center 4407 is at -1.553765 0.638150 -2.989135 ESP Fit Center 4408 is at 0.806727 3.991606 1.580637 ESP Fit Center 4409 is at 0.415094 4.134149 1.580637 ESP Fit Center 4410 is at -0.001673 4.134149 1.580637 ESP Fit Center 4411 is at 1.249209 4.068591 1.312013 ESP Fit Center 4412 is at 0.909391 4.308460 1.312013 ESP Fit Center 4413 is at 0.517459 4.447753 1.312013 ESP Fit Center 4414 is at 0.102481 4.476138 1.312013 ESP Fit Center 4415 is at 1.279192 4.392941 0.984694 ESP Fit Center 4416 is at 0.918060 4.601441 0.984694 ESP Fit Center 4417 is at 0.518578 4.721037 0.984694 ESP Fit Center 4418 is at 0.102284 4.745284 0.984694 ESP Fit Center 4419 is at -0.308381 4.672873 0.984694 ESP Fit Center 4420 is at 1.204501 4.680571 0.611259 ESP Fit Center 4421 is at 0.823379 4.850257 0.611259 ESP Fit Center 4422 is at 0.415306 4.936996 0.611259 ESP Fit Center 4423 is at -0.001884 4.936996 0.611259 ESP Fit Center 4424 is at -0.409957 4.850257 0.611259 ESP Fit Center 4425 is at 1.383684 4.713813 0.206058 ESP Fit Center 4426 is at 1.017424 4.909583 0.206058 ESP Fit Center 4427 is at 0.620009 5.030138 0.206058 ESP Fit Center 4428 is at 0.206711 5.070844 0.206058 ESP Fit Center 4429 is at -0.206587 5.030138 0.206058 ESP Fit Center 4430 is at -0.604003 4.909583 0.206058 ESP Fit Center 4431 is at 1.459634 4.711832 -0.215337 ESP Fit Center 4432 is at 1.104007 4.917153 -0.215337 ESP Fit Center 4433 is at 0.715950 5.051461 -0.215337 ESP Fit Center 4434 is at 0.309488 5.109901 -0.215337 ESP Fit Center 4435 is at -0.100689 5.090362 -0.215337 ESP Fit Center 4436 is at -0.499756 4.993550 -0.215337 ESP Fit Center 4437 is at -0.873289 4.822963 -0.215337 ESP Fit Center 4438 is at 1.383684 4.713813 -0.636733 ESP Fit Center 4439 is at 1.017424 4.909583 -0.636733 ESP Fit Center 4440 is at 0.620009 5.030138 -0.636733 ESP Fit Center 4441 is at 0.206711 5.070844 -0.636733 ESP Fit Center 4442 is at -0.206587 5.030138 -0.636733 ESP Fit Center 4443 is at -0.604003 4.909583 -0.636733 ESP Fit Center 4444 is at -0.970263 4.713813 -0.636733 ESP Fit Center 4445 is at 1.542014 4.435353 -1.041934 ESP Fit Center 4446 is at 1.204501 4.680571 -1.041934 ESP Fit Center 4447 is at 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-1.742688 ESP Fit Center 4466 is at -0.304768 4.391511 -1.742688 ESP Fit Center 4467 is at -0.674082 4.200148 -1.742688 ESP Fit Center 4468 is at -0.978072 3.916241 -1.742688 ESP Fit Center 4469 is at 0.806727 3.991606 -2.011312 ESP Fit Center 4470 is at 0.415094 4.134149 -2.011312 ESP Fit Center 4471 is at -0.001673 4.134149 -2.011312 ESP Fit Center 4472 is at -0.393305 3.991606 -2.011312 ESP Fit Center 4473 is at -0.712567 3.723714 -2.011312 ESP Fit Center 4474 is at 0.206711 3.778944 -2.210917 ESP Fit Center 4475 is at -0.206587 3.668201 -2.210917 ESP Fit Center 4476 is at -2.798991 -0.948211 3.428729 ESP Fit Center 4477 is at -3.009689 -1.313150 3.428729 ESP Fit Center 4478 is at -2.588294 -0.486554 3.305813 ESP Fit Center 4479 is at -3.001592 -0.597296 3.305813 ESP Fit Center 4480 is at -3.304147 -0.899852 3.305813 ESP Fit Center 4481 is at -3.414890 -1.313150 3.305813 ESP Fit Center 4482 is at -3.304147 -1.726448 3.305813 ESP Fit Center 4483 is at -2.379910 -0.131349 3.106207 ESP Fit Center 4484 is at -2.796677 -0.131349 3.106207 ESP Fit Center 4485 is at -3.188309 -0.273892 3.106207 ESP Fit Center 4486 is at -3.507571 -0.541784 3.106207 ESP Fit Center 4487 is at -3.715955 -0.902715 3.106207 ESP Fit Center 4488 is at -3.788325 -1.313150 3.106207 ESP Fit Center 4489 is at -3.715955 -1.723585 3.106207 ESP Fit Center 4490 is at -3.507571 -2.084515 3.106207 ESP Fit Center 4491 is at -3.469087 -0.065350 2.837584 ESP Fit Center 4492 is at -3.773077 -0.349257 2.837584 ESP Fit Center 4493 is at -3.989197 -0.704652 2.837584 ESP Fit Center 4494 is at -4.101418 -1.105176 2.837584 ESP Fit Center 4495 is at -4.101418 -1.521124 2.837584 ESP Fit Center 4496 is at -3.989197 -1.921648 2.837584 ESP Fit Center 4497 is at -3.773077 -2.277042 2.837584 ESP Fit Center 4498 is at -3.820766 -0.006805 2.510265 ESP Fit Center 4499 is at -4.088808 -0.326246 2.510265 ESP Fit Center 4500 is at -4.275957 -0.698890 2.510265 ESP Fit Center 4501 is at -4.372124 -1.104650 2.510265 ESP Fit Center 4502 is at -4.372124 -1.521650 2.510265 ESP Fit Center 4503 is at -4.275957 -1.927409 2.510265 ESP Fit Center 4504 is at -4.088808 -2.300054 2.510265 ESP Fit Center 4505 is at -3.923597 0.169855 2.136829 ESP Fit Center 4506 is at -4.202752 -0.140177 2.136829 ESP Fit Center 4507 is at -4.411346 -0.501474 2.136829 ESP Fit Center 4508 is at -4.540265 -0.898245 2.136829 ESP Fit Center 4509 is at -4.583873 -1.313150 2.136829 ESP Fit Center 4510 is at -4.540265 -1.728054 2.136829 ESP Fit Center 4511 is at -4.411346 -2.124825 2.136829 ESP Fit Center 4512 is at -4.202752 -2.486122 2.136829 ESP Fit Center 4513 is at -4.086297 0.184853 1.731628 ESP Fit Center 4514 is at -4.349759 -0.136176 1.731628 ESP Fit Center 4515 is at -4.545529 -0.502436 1.731628 ESP Fit Center 4516 is at -4.666084 -0.899852 1.731628 ESP Fit Center 4517 is at -4.706790 -1.313150 1.731628 ESP Fit Center 4518 is at -4.666084 -1.726448 1.731628 ESP Fit Center 4519 is at -4.545529 -2.123863 1.731628 ESP Fit Center 4520 is at -4.349759 -2.490123 1.731628 ESP Fit Center 4521 is at -4.286168 0.022074 1.310233 ESP Fit Center 4522 is at -4.508178 -0.323380 1.310233 ESP Fit Center 4523 is at -4.660798 -0.704607 1.310233 ESP Fit Center 4524 is at -4.738513 -1.107829 1.310233 ESP Fit Center 4525 is at -4.738513 -1.518471 1.310233 ESP Fit Center 4526 is at -4.660798 -1.921692 1.310233 ESP Fit Center 4527 is at -4.508178 -2.302919 1.310233 ESP Fit Center 4528 is at -4.286168 -2.648373 1.310233 ESP Fit Center 4529 is at -4.349759 -0.136176 0.888838 ESP Fit Center 4530 is at -4.545529 -0.502436 0.888838 ESP Fit Center 4531 is at -4.666084 -0.899852 0.888838 ESP Fit Center 4532 is at -4.706790 -1.313150 0.888838 ESP Fit Center 4533 is at -4.666084 -1.726448 0.888838 ESP Fit Center 4534 is at -4.545529 -2.123863 0.888838 ESP Fit Center 4535 is at -4.349759 -2.490123 0.888838 ESP Fit Center 4536 is at -4.411346 -0.501474 0.483637 ESP Fit Center 4537 is at -4.540265 -0.898245 0.483637 ESP Fit Center 4538 is at -4.583873 -1.313150 0.483637 ESP Fit Center 4539 is at -4.540265 -1.728054 0.483637 ESP Fit Center 4540 is at -4.411346 -2.124825 0.483637 ESP Fit Center 4541 is at -4.506098 -1.856233 0.397521 ESP Fit Center 4542 is at -4.393876 -2.256757 0.397521 ESP Fit Center 4543 is at -4.680637 -1.033999 0.070202 ESP Fit Center 4544 is at -4.776804 -1.439759 0.070202 ESP Fit Center 4545 is at -4.776804 -1.856759 0.070202 ESP Fit Center 4546 is at -4.680637 -2.262518 0.070202 ESP Fit Center 4547 is at -4.493488 -2.635163 0.070202 ESP Fit Center 4548 is at -4.225445 -2.954603 0.070202 ESP Fit Center 4549 is at -3.890960 -3.203618 0.070202 ESP Fit Center 4550 is at -4.816026 -0.836583 -0.303234 ESP Fit Center 4551 is at -4.944945 -1.233354 -0.303234 ESP Fit Center 4552 is at -4.988553 -1.648259 -0.303234 ESP Fit Center 4553 is at -4.944945 -2.063163 -0.303234 ESP Fit Center 4554 is at -4.816026 -2.459934 -0.303234 ESP Fit Center 4555 is at -4.607431 -2.821231 -0.303234 ESP Fit Center 4556 is at -4.328277 -3.131263 -0.303234 ESP Fit Center 4557 is at -3.990763 -3.376481 -0.303234 ESP Fit Center 4558 is at -3.609641 -3.546168 -0.303234 ESP Fit Center 4559 is at -4.754438 -0.471285 -0.708435 ESP Fit Center 4560 is at -4.950208 -0.837545 -0.708435 ESP Fit Center 4561 is at -5.070763 -1.234961 -0.708435 ESP Fit Center 4562 is at -5.111469 -1.648259 -0.708435 ESP Fit Center 4563 is at -5.070763 -2.061557 -0.708435 ESP Fit Center 4564 is at -4.950208 -2.458972 -0.708435 ESP Fit Center 4565 is at -4.754438 -2.825232 -0.708435 ESP Fit Center 4566 is at -4.490976 -3.146262 -0.708435 ESP Fit Center 4567 is at -4.169946 -3.409724 -0.708435 ESP Fit Center 4568 is at -3.803686 -3.605494 -0.708435 ESP Fit Center 4569 is at -3.406271 -3.726049 -0.708435 ESP Fit Center 4570 is at -2.992973 -3.766755 -0.708435 ESP Fit Center 4571 is at -4.912858 -0.658489 -1.129830 ESP Fit Center 4572 is at -5.065478 -1.039716 -1.129830 ESP Fit Center 4573 is at -5.143192 -1.442938 -1.129830 ESP Fit Center 4574 is at -5.143192 -1.853580 -1.129830 ESP Fit Center 4575 is at -5.065478 -2.256801 -1.129830 ESP Fit Center 4576 is at -4.912858 -2.638028 -1.129830 ESP Fit Center 4577 is at -4.690848 -2.983482 -1.129830 ESP Fit Center 4578 is at -4.407472 -3.280678 -1.129830 ESP Fit Center 4579 is at -4.072973 -3.518873 -1.129830 ESP Fit Center 4580 is at -3.699440 -3.689460 -1.129830 ESP Fit Center 4581 is at -3.300373 -3.786273 -1.129830 ESP Fit Center 4582 is at -2.890196 -3.805812 -1.129830 ESP Fit Center 4583 is at -2.483734 -3.747372 -1.129830 ESP Fit Center 4584 is at -4.754438 -0.471285 -1.551225 ESP Fit Center 4585 is at -4.950208 -0.837545 -1.551225 ESP Fit Center 4586 is at -5.070763 -1.234961 -1.551225 ESP Fit Center 4587 is at -5.111469 -1.648259 -1.551225 ESP Fit Center 4588 is at -5.070763 -2.061557 -1.551225 ESP Fit Center 4589 is at -4.950208 -2.458972 -1.551225 ESP Fit Center 4590 is at -4.754438 -2.825232 -1.551225 ESP Fit Center 4591 is at -4.490976 -3.146262 -1.551225 ESP Fit Center 4592 is at -4.169946 -3.409724 -1.551225 ESP Fit Center 4593 is at -3.803686 -3.605494 -1.551225 ESP Fit Center 4594 is at -3.406271 -3.726049 -1.551225 ESP Fit Center 4595 is at -2.992973 -3.766755 -1.551225 ESP Fit Center 4596 is at -2.579675 -3.726049 -1.551225 ESP Fit Center 4597 is at -4.607431 -0.475286 -1.956426 ESP Fit Center 4598 is at -4.816026 -0.836583 -1.956426 ESP Fit Center 4599 is at -4.944945 -1.233354 -1.956426 ESP Fit Center 4600 is at -4.988553 -1.648259 -1.956426 ESP Fit Center 4601 is at -4.944945 -2.063163 -1.956426 ESP Fit Center 4602 is at -4.816026 -2.459934 -1.956426 ESP Fit Center 4603 is at -4.607431 -2.821231 -1.956426 ESP Fit Center 4604 is at -4.328277 -3.131263 -1.956426 ESP Fit Center 4605 is at -3.990763 -3.376481 -1.956426 ESP Fit Center 4606 is at -3.609641 -3.546168 -1.956426 ESP Fit Center 4607 is at -3.201568 -3.632906 -1.956426 ESP Fit Center 4608 is at -2.784378 -3.632906 -1.956426 ESP Fit Center 4609 is at -2.376305 -3.546168 -1.956426 ESP Fit Center 4610 is at -4.493488 -0.661355 -2.329861 ESP Fit Center 4611 is at -4.680637 -1.033999 -2.329861 ESP Fit Center 4612 is at -4.776804 -1.439759 -2.329861 ESP Fit Center 4613 is at -4.776804 -1.856759 -2.329861 ESP Fit Center 4614 is at -4.680637 -2.262518 -2.329861 ESP Fit Center 4615 is at -4.493488 -2.635163 -2.329861 ESP Fit Center 4616 is at -4.225445 -2.954603 -2.329861 ESP Fit Center 4617 is at -3.890960 -3.203618 -2.329861 ESP Fit Center 4618 is at -3.508064 -3.368783 -2.329861 ESP Fit Center 4619 is at -3.097400 -3.441194 -2.329861 ESP Fit Center 4620 is at -2.681105 -3.416948 -2.329861 ESP Fit Center 4621 is at -2.281624 -3.297351 -2.329861 ESP Fit Center 4622 is at -4.177756 -0.684366 -2.657180 ESP Fit Center 4623 is at -4.393876 -1.039760 -2.657180 ESP Fit Center 4624 is at -4.506098 -1.440284 -2.657180 ESP Fit Center 4625 is at -4.506098 -1.856233 -2.657180 ESP Fit Center 4626 is at -4.393876 -2.256757 -2.657180 ESP Fit Center 4627 is at -4.177756 -2.612151 -2.657180 ESP Fit Center 4628 is at -3.873766 -2.896058 -2.657180 ESP Fit Center 4629 is at -3.504452 -3.087421 -2.657180 ESP Fit Center 4630 is at -3.097203 -3.172049 -2.657180 ESP Fit Center 4631 is at -2.682224 -3.143663 -2.657180 ESP Fit Center 4632 is at -2.290292 -3.004371 -2.657180 ESP Fit Center 4633 is at -3.912251 -0.876893 -2.925804 ESP Fit Center 4634 is at -4.120634 -1.237824 -2.925804 ESP Fit Center 4635 is at -4.193005 -1.648259 -2.925804 ESP Fit Center 4636 is at -4.120634 -2.058694 -2.925804 ESP Fit Center 4637 is at -3.912251 -2.419624 -2.925804 ESP Fit Center 4638 is at -3.592989 -2.687517 -2.925804 ESP Fit Center 4639 is at -3.201356 -2.830059 -2.925804 ESP Fit Center 4640 is at -2.784590 -2.830059 -2.925804 ESP Fit Center 4641 is at -2.392957 -2.687517 -2.925804 ESP Fit Center 4642 is at -3.708826 -1.234961 -3.125410 ESP Fit Center 4643 is at -3.819569 -1.648259 -3.125410 ESP Fit Center 4644 is at -3.708826 -2.061557 -3.125410 ESP Fit Center 4645 is at -3.406271 -2.364112 -3.125410 ESP Fit Center 4646 is at -2.992973 -2.474855 -3.125410 ESP Fit Center 4647 is at -2.579675 -2.364112 -3.125410 ESP Fit Center 4648 is at -3.414368 -1.648259 -3.248326 ESP Fit Center 4649 is at -3.203671 -2.013197 -3.248326 ESP Fit Center 4650 is at -2.782276 -2.013197 -3.248326 ESP Fit Center 4651 is at -4.358648 0.246210 0.730066 ESP Fit Center 4652 is at -4.570397 0.454709 0.356630 ESP Fit Center 4653 is at -4.526789 0.039805 0.356630 ESP Fit Center 4654 is at -4.397870 -0.356966 0.356630 ESP Fit Center 4655 is at -4.693313 0.454709 -0.048571 ESP Fit Center 4656 is at -4.652607 0.041411 -0.048571 ESP Fit Center 4657 is at -4.725036 0.660030 -0.469966 ESP Fit Center 4658 is at -4.725036 0.249388 -0.469966 ESP Fit Center 4659 is at -4.647322 -0.153833 -0.469966 ESP Fit Center 4660 is at -4.652607 0.868008 -0.891361 ESP Fit Center 4661 is at -4.693313 0.454709 -0.891361 ESP Fit Center 4662 is at -4.652607 0.041411 -0.891361 ESP Fit Center 4663 is at -4.526789 0.869614 -1.296562 ESP Fit Center 4664 is at -4.570397 0.454709 -1.296562 ESP Fit Center 4665 is at -4.358648 0.663209 -1.669998 ESP Fit Center 4666 is at -4.087942 0.662684 -1.997317 ESP Fit Center 4667 is at -1.588624 4.031365 -1.339887 ESP Fit Center 4668 is at -1.995086 4.089805 -1.339887 ESP Fit Center 4669 is at -2.405263 4.070266 -1.339887 ESP Fit Center 4670 is at -2.804330 3.973454 -1.339887 ESP Fit Center 4671 is at -3.177863 3.802867 -1.339887 ESP Fit Center 4672 is at -3.512362 3.564671 -1.339887 ESP Fit Center 4673 is at -3.795738 3.267475 -1.339887 ESP Fit Center 4674 is at -1.287150 3.889487 -1.761282 ESP Fit Center 4675 is at -1.684565 4.010042 -1.761282 ESP Fit Center 4676 is at -2.097863 4.050748 -1.761282 ESP Fit Center 4677 is at -2.511161 4.010042 -1.761282 ESP Fit Center 4678 is at -2.908577 3.889487 -1.761282 ESP Fit Center 4679 is at -3.274837 3.693717 -1.761282 ESP Fit Center 4680 is at -3.595866 3.430255 -1.761282 ESP Fit Center 4681 is at -3.859328 3.109225 -1.761282 ESP Fit Center 4682 is at -4.055098 2.742965 -1.761282 ESP Fit Center 4683 is at -4.175653 2.345550 -1.761282 ESP Fit Center 4684 is at -0.762560 3.415257 -2.166483 ESP Fit Center 4685 is at -1.100073 3.660475 -2.166483 ESP Fit Center 4686 is at -1.481195 3.830161 -2.166483 ESP Fit Center 4687 is at -1.889268 3.916900 -2.166483 ESP Fit Center 4688 is at -2.306458 3.916900 -2.166483 ESP Fit Center 4689 is at -2.714531 3.830161 -2.166483 ESP Fit Center 4690 is at -3.095653 3.660475 -2.166483 ESP Fit Center 4691 is at -3.433167 3.415257 -2.166483 ESP Fit Center 4692 is at -3.712321 3.105224 -2.166483 ESP Fit Center 4693 is at -3.920916 2.743927 -2.166483 ESP Fit Center 4694 is at -4.049835 2.347156 -2.166483 ESP Fit Center 4695 is at -4.093443 1.932252 -2.166483 ESP Fit Center 4696 is at -4.049835 1.517348 -2.166483 ESP Fit Center 4697 is at -0.722067 3.086682 -2.539918 ESP Fit Center 4698 is at -1.025382 3.372845 -2.539918 ESP Fit Center 4699 is at -1.386514 3.581345 -2.539918 ESP Fit Center 4700 is at -1.785995 3.700941 -2.539918 ESP Fit Center 4701 is at -2.202290 3.725188 -2.539918 ESP Fit Center 4702 is at -2.612954 3.652777 -2.539918 ESP Fit Center 4703 is at -2.995850 3.487611 -2.539918 ESP Fit Center 4704 is at -3.330336 3.238596 -2.539918 ESP Fit Center 4705 is at -3.598378 2.919156 -2.539918 ESP Fit Center 4706 is at -3.785527 2.546511 -2.539918 ESP Fit Center 4707 is at -3.881694 2.140752 -2.539918 ESP Fit Center 4708 is at -3.881694 1.723752 -2.539918 ESP Fit Center 4709 is at -3.785527 1.317993 -2.539918 ESP Fit Center 4710 is at -3.598378 0.945348 -2.539918 ESP Fit Center 4711 is at -0.570513 1.932252 -2.867237 ESP Fit Center 4712 is at -0.627151 2.344326 -2.867237 ESP Fit Center 4713 is at -0.792865 2.725839 -2.867237 ESP Fit Center 4714 is at -1.055365 3.048495 -2.867237 ESP Fit Center 4715 is at -1.395183 3.288364 -2.867237 ESP Fit Center 4716 is at -1.787114 3.427657 -2.867237 ESP Fit Center 4717 is at -2.202093 3.456042 -2.867237 ESP Fit Center 4718 is at -2.609342 3.371415 -2.867237 ESP Fit Center 4719 is at -2.978656 3.180051 -2.867237 ESP Fit Center 4720 is at -3.282646 2.896145 -2.867237 ESP Fit Center 4721 is at -3.498766 2.540750 -2.867237 ESP Fit Center 4722 is at -3.610988 2.140226 -2.867237 ESP Fit Center 4723 is at -3.610988 1.724278 -2.867237 ESP Fit Center 4724 is at -3.498766 1.323754 -2.867237 ESP Fit Center 4725 is at -3.282646 0.968359 -2.867237 ESP Fit Center 4726 is at -2.978656 0.684453 -2.867237 ESP Fit Center 4727 is at -0.897831 1.932252 -3.135861 ESP Fit Center 4728 is at -0.970202 2.342687 -3.135861 ESP Fit Center 4729 is at -1.178586 2.703618 -3.135861 ESP Fit Center 4730 is at -1.497847 2.971510 -3.135861 ESP Fit Center 4731 is at -1.889480 3.114053 -3.135861 ESP Fit Center 4732 is at -2.306246 3.114053 -3.135861 ESP Fit Center 4733 is at -2.697879 2.971510 -3.135861 ESP Fit Center 4734 is at -3.017141 2.703618 -3.135861 ESP Fit Center 4735 is at -3.225524 2.342687 -3.135861 ESP Fit Center 4736 is at 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ESP Fit Center 4773 is at -1.048571 3.007264 2.963540 ESP Fit Center 4774 is at -1.300778 3.335946 2.963540 ESP Fit Center 4775 is at -1.629461 3.588153 2.963540 ESP Fit Center 4776 is at -2.012220 3.746697 2.963540 ESP Fit Center 4777 is at -2.422971 3.800774 2.963540 ESP Fit Center 4778 is at -2.833722 3.746697 2.963540 ESP Fit Center 4779 is at -3.216481 3.588153 2.963540 ESP Fit Center 4780 is at -3.545164 3.335946 2.963540 ESP Fit Center 4781 is at -3.797371 3.007264 2.963540 ESP Fit Center 4782 is at -3.955915 2.624505 2.963540 ESP Fit Center 4783 is at -4.009991 2.213754 2.963540 ESP Fit Center 4784 is at -0.561650 2.638588 2.688382 ESP Fit Center 4785 is at -0.702852 3.042119 2.688382 ESP Fit Center 4786 is at -2.422971 4.122942 2.688382 ESP Fit Center 4787 is at -2.847806 4.075075 2.688382 ESP Fit Center 4788 is at -3.251337 3.933873 2.688382 ESP Fit Center 4789 is at -3.613331 3.706417 2.688382 ESP Fit Center 4790 is at -3.915635 3.404113 2.688382 ESP Fit Center 4791 is at 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2.273469 1.860177 ESP Fit Center 4847 is at -5.160188 1.867709 1.860177 ESP Fit Center 4848 is at -4.973039 1.495065 1.860177 ESP Fit Center 4849 is at -4.704997 1.175624 1.860177 ESP Fit Center 4850 is at -4.089192 4.379878 1.486741 ESP Fit Center 4851 is at -4.470314 4.210192 1.486741 ESP Fit Center 4852 is at -4.807828 3.964974 1.486741 ESP Fit Center 4853 is at -5.086982 3.654941 1.486741 ESP Fit Center 4854 is at -5.295577 3.293644 1.486741 ESP Fit Center 4855 is at -5.424496 2.896873 1.486741 ESP Fit Center 4856 is at -5.468104 2.481969 1.486741 ESP Fit Center 4857 is at -5.424496 2.067064 1.486741 ESP Fit Center 4858 is at -5.295577 1.670293 1.486741 ESP Fit Center 4859 is at -5.086982 1.308996 1.486741 ESP Fit Center 4860 is at -4.807828 0.998964 1.486741 ESP Fit Center 4861 is at -3.885822 4.559759 1.081540 ESP Fit Center 4862 is at -4.283238 4.439204 1.081540 ESP Fit Center 4863 is at -4.649498 4.243434 1.081540 ESP Fit Center 4864 is at -4.970527 3.979972 1.081540 ESP Fit Center 4865 is at -5.233990 3.658942 1.081540 ESP Fit Center 4866 is at -5.429760 3.292682 1.081540 ESP Fit Center 4867 is at -5.550314 2.895267 1.081540 ESP Fit Center 4868 is at -5.591021 2.481969 1.081540 ESP Fit Center 4869 is at -5.550314 2.068671 1.081540 ESP Fit Center 4870 is at -5.429760 1.671255 1.081540 ESP Fit Center 4871 is at -5.233990 1.304995 1.081540 ESP Fit Center 4872 is at -4.970527 0.983966 1.081540 ESP Fit Center 4873 is at -3.779924 4.619983 0.660145 ESP Fit Center 4874 is at -4.178991 4.523171 0.660145 ESP Fit Center 4875 is at -4.552524 4.352584 0.660145 ESP Fit Center 4876 is at -4.887024 4.114388 0.660145 ESP Fit Center 4877 is at -5.170399 3.817192 0.660145 ESP Fit Center 4878 is at -5.392409 3.471738 0.660145 ESP Fit Center 4879 is at -5.545029 3.090511 0.660145 ESP Fit Center 4880 is at -5.622744 2.687290 0.660145 ESP Fit Center 4881 is at -5.622744 2.276648 0.660145 ESP Fit Center 4882 is at -5.545029 1.873426 0.660145 ESP Fit Center 4883 is at -5.392409 1.492199 0.660145 ESP Fit Center 4884 is at -5.170399 1.146745 0.660145 ESP Fit Center 4885 is at -4.887024 0.849550 0.660145 ESP Fit Center 4886 is at -3.885822 4.559759 0.238750 ESP Fit Center 4887 is at -4.283238 4.439204 0.238750 ESP Fit Center 4888 is at -4.649498 4.243434 0.238750 ESP Fit Center 4889 is at -4.970527 3.979972 0.238750 ESP Fit Center 4890 is at -5.233990 3.658942 0.238750 ESP Fit Center 4891 is at -5.429760 3.292682 0.238750 ESP Fit Center 4892 is at -5.550314 2.895267 0.238750 ESP Fit Center 4893 is at -5.591021 2.481969 0.238750 ESP Fit Center 4894 is at -5.550314 2.068671 0.238750 ESP Fit Center 4895 is at -5.429760 1.671255 0.238750 ESP Fit Center 4896 is at -5.233990 1.304995 0.238750 ESP Fit Center 4897 is at -4.970527 0.983966 0.238750 ESP Fit Center 4898 is at -4.649498 0.720504 0.238750 ESP Fit Center 4899 is at -3.681119 4.466617 -0.166451 ESP Fit Center 4900 is at -4.089192 4.379878 -0.166451 ESP Fit Center 4901 is at -4.470314 4.210192 -0.166451 ESP Fit Center 4902 is at -4.807828 3.964974 -0.166451 ESP Fit Center 4903 is at -5.086982 3.654941 -0.166451 ESP Fit Center 4904 is at -5.295577 3.293644 -0.166451 ESP Fit Center 4905 is at -5.424496 2.896873 -0.166451 ESP Fit Center 4906 is at -5.468104 2.481969 -0.166451 ESP Fit Center 4907 is at -5.424496 2.067064 -0.166451 ESP Fit Center 4908 is at -5.295577 1.670293 -0.166451 ESP Fit Center 4909 is at -5.086982 1.308996 -0.166451 ESP Fit Center 4910 is at -4.807828 0.998964 -0.166451 ESP Fit Center 4911 is at -3.576951 4.274905 -0.539887 ESP Fit Center 4912 is at -3.987616 4.202493 -0.539887 ESP Fit Center 4913 is at -4.370512 4.037328 -0.539887 ESP Fit Center 4914 is at -4.704997 3.788313 -0.539887 ESP Fit Center 4915 is at -4.973039 3.468873 -0.539887 ESP Fit Center 4916 is at -5.160188 3.096228 -0.539887 ESP Fit Center 4917 is at -5.256355 2.690469 -0.539887 ESP Fit Center 4918 is at -5.256355 2.273469 -0.539887 ESP Fit Center 4919 is at -5.160188 1.867709 -0.539887 ESP Fit Center 4920 is at -4.973039 1.495065 -0.539887 ESP Fit Center 4921 is at -4.704997 1.175624 -0.539887 ESP Fit Center 4922 is at -3.984003 3.921132 -0.867206 ESP Fit Center 4923 is at -4.353317 3.729768 -0.867206 ESP Fit Center 4924 is at -4.657307 3.445861 -0.867206 ESP Fit Center 4925 is at -4.873428 3.090467 -0.867206 ESP Fit Center 4926 is at -4.985649 2.689943 -0.867206 ESP Fit Center 4927 is at -4.985649 2.273995 -0.867206 ESP Fit Center 4928 is at -4.873428 1.873471 -0.867206 ESP Fit Center 4929 is at -4.657307 1.518076 -0.867206 ESP Fit Center 4930 is at -3.680908 3.663769 -1.135829 ESP Fit Center 4931 is at -4.072540 3.521227 -1.135829 ESP Fit Center 4932 is at -4.391802 3.253334 -1.135829 ESP Fit Center 4933 is at -4.600185 2.892404 -1.135829 ESP Fit Center 4934 is at -4.672556 2.481969 -1.135829 ESP Fit Center 4935 is at -4.600185 2.071534 -1.135829 ESP Fit Center 4936 is at -3.885822 3.197822 -1.335435 ESP Fit Center 4937 is at -4.188378 2.895267 -1.335435 ESP Fit Center 4938 is at 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ESP Fit Center 4957 is at -0.214930 3.926704 2.029795 ESP Fit Center 4958 is at -0.444075 4.275102 2.029795 ESP Fit Center 4959 is at -0.747390 4.561265 2.029795 ESP Fit Center 4960 is at -1.108522 4.769765 2.029795 ESP Fit Center 4961 is at -1.508004 4.889362 2.029795 ESP Fit Center 4962 is at -1.924298 4.913608 2.029795 ESP Fit Center 4963 is at -2.334963 4.841197 2.029795 ESP Fit Center 4964 is at -2.717859 4.676032 2.029795 ESP Fit Center 4965 is at -0.205414 4.293645 1.656360 ESP Fit Center 4966 is at -0.484568 4.603677 1.656360 ESP Fit Center 4967 is at -0.822082 4.848895 1.656360 ESP Fit Center 4968 is at -1.203203 5.018581 1.656360 ESP Fit Center 4969 is at -1.611277 5.105320 1.656360 ESP Fit Center 4970 is at -2.028466 5.105320 1.656360 ESP Fit Center 4971 is at -2.436540 5.018581 1.656360 ESP Fit Center 4972 is at -2.817661 4.848895 1.656360 ESP Fit Center 4973 is at -0.321869 4.618675 1.251159 ESP Fit Center 4974 is at -0.642898 4.882137 1.251159 ESP Fit Center 4975 is at -1.009158 5.077908 1.251159 ESP Fit Center 4976 is at -1.406573 5.198462 1.251159 ESP Fit Center 4977 is at -1.819872 5.239168 1.251159 ESP Fit Center 4978 is at -2.233170 5.198462 1.251159 ESP Fit Center 4979 is at -2.630585 5.077908 1.251159 ESP Fit Center 4980 is at -2.996845 4.882137 1.251159 ESP Fit Center 4981 is at -0.566949 4.880156 0.829764 ESP Fit Center 4982 is at -0.922575 5.085477 0.829764 ESP Fit Center 4983 is at -1.310632 5.219785 0.829764 ESP Fit Center 4984 is at -1.717095 5.278226 0.829764 ESP Fit Center 4985 is at -2.127272 5.258687 0.829764 ESP Fit Center 4986 is at -2.526338 5.161874 0.829764 ESP Fit Center 4987 is at -2.899872 4.991287 0.829764 ESP Fit Center 4988 is at -0.642898 4.882137 0.408369 ESP Fit Center 4989 is at -1.009158 5.077908 0.408369 ESP Fit Center 4990 is at -1.406573 5.198462 0.408369 ESP Fit Center 4991 is at -1.819872 5.239168 0.408369 ESP Fit Center 4992 is at -2.233170 5.198462 0.408369 ESP Fit Center 4993 is at -2.630585 5.077908 0.408369 ESP Fit Center 4994 is at -2.996845 4.882137 0.408369 ESP Fit Center 4995 is at -0.822082 4.848895 0.003167 ESP Fit Center 4996 is at -1.203203 5.018581 0.003167 ESP Fit Center 4997 is at -1.611277 5.105320 0.003167 ESP Fit Center 4998 is at -2.028466 5.105320 0.003167 ESP Fit Center 4999 is at -2.436540 5.018581 0.003167 ESP Fit Center 5000 is at -2.817661 4.848895 0.003167 ESP Fit Center 5001 is at -1.108522 4.769765 -0.370268 ESP Fit Center 5002 is at -1.508004 4.889362 -0.370268 ESP Fit Center 5003 is at -1.924298 4.913608 -0.370268 ESP Fit Center 5004 is at -2.334963 4.841197 -0.370268 ESP Fit Center 5005 is at -2.717859 4.676032 -0.370268 ESP Fit Center 5006 is at -1.509123 4.616077 -0.697587 ESP Fit Center 5007 is at -1.924102 4.644462 -0.697587 ESP Fit Center 5008 is at -2.331350 4.559835 -0.697587 ESP Fit Center 5009 is at -1.611488 4.302473 -0.966211 ESP Fit Center 5010 is at -2.028255 4.302473 -0.966211 ESP Fit Center 5011 is at -2.296383 1.643168 3.858788 ESP Fit Center 5012 is at -1.874988 1.643168 3.817284 ESP Fit Center 5013 is at -2.085686 2.008107 3.817284 ESP Fit Center 5014 is at -2.507081 2.008107 3.817284 ESP Fit Center 5015 is at -2.717778 1.643168 3.817284 ESP Fit Center 5016 is at -2.507081 1.278229 3.817284 ESP Fit Center 5017 is at -2.085686 1.278229 3.817284 ESP Fit Center 5018 is at -1.469787 1.643168 3.694368 ESP Fit Center 5019 is at -1.580530 2.056466 3.694368 ESP Fit Center 5020 is at -1.883085 2.359021 3.694368 ESP Fit Center 5021 is at -2.296383 2.469764 3.694368 ESP Fit Center 5022 is at -2.709681 2.359021 3.694368 ESP Fit Center 5023 is at -3.012237 2.056466 3.694368 ESP Fit Center 5024 is at -3.122980 1.643168 3.694368 ESP Fit Center 5025 is at -3.012237 1.229870 3.694368 ESP Fit Center 5026 is at -2.709681 0.927315 3.694368 ESP Fit Center 5027 is at -2.296383 0.816572 3.694368 ESP Fit Center 5028 is at -1.883085 0.927315 3.694368 ESP Fit Center 5029 is at -1.580530 1.229870 3.694368 ESP Fit Center 5030 is at -1.096352 1.643168 3.494762 ESP Fit Center 5031 is at -1.168722 2.053603 3.494762 ESP Fit Center 5032 is at -1.377106 2.414533 3.494762 ESP Fit Center 5033 is at -1.696367 2.682426 3.494762 ESP Fit Center 5034 is at -2.088000 2.824968 3.494762 ESP Fit Center 5035 is at -2.504767 2.824968 3.494762 ESP Fit Center 5036 is at -2.896399 2.682426 3.494762 ESP Fit Center 5037 is at -3.215661 2.414533 3.494762 ESP Fit Center 5038 is at -3.424044 2.053603 3.494762 ESP Fit Center 5039 is at -3.496415 1.643168 3.494762 ESP Fit Center 5040 is at -3.424044 1.232733 3.494762 ESP Fit Center 5041 is at -3.215661 0.871802 3.494762 ESP Fit Center 5042 is at -2.896399 0.603910 3.494762 ESP Fit Center 5043 is at -2.504767 0.461367 3.494762 ESP Fit Center 5044 is at -2.088000 0.461367 3.494762 ESP Fit Center 5045 is at -1.696367 0.603910 3.494762 ESP Fit Center 5046 is at -1.377106 0.871802 3.494762 ESP Fit Center 5047 is at -1.168722 1.232733 3.494762 ESP Fit Center 5048 is at -0.769033 1.643168 3.226139 ESP Fit Center 5049 is at -0.825671 2.055242 3.226139 ESP Fit Center 5050 is at -0.991385 2.436755 3.226139 ESP Fit Center 5051 is at -1.253885 2.759411 3.226139 ESP Fit Center 5052 is at -1.593703 2.999280 3.226139 ESP Fit Center 5053 is at -3.697287 2.251666 3.226139 ESP Fit Center 5054 is at -3.809508 1.851142 3.226139 ESP Fit Center 5055 is at -3.809508 1.435194 3.226139 ESP Fit Center 5056 is at -3.697287 1.034670 3.226139 ESP Fit Center 5057 is at -3.481166 0.679275 3.226139 ESP Fit Center 5058 is at -3.177176 0.395368 3.226139 ESP Fit Center 5059 is at -2.807862 0.204005 3.226139 ESP Fit Center 5060 is at -2.400613 0.119378 3.226139 ESP Fit Center 5061 is at -1.985635 0.147763 3.226139 ESP Fit Center 5062 is at -1.593703 0.287056 3.226139 ESP Fit Center 5063 is at -1.253885 0.526925 3.226139 ESP Fit Center 5064 is at -0.991385 0.849581 3.226139 ESP Fit Center 5065 is at -0.825671 1.231094 3.226139 ESP Fit Center 5066 is at -0.500409 1.643168 2.898820 ESP Fit Center 5067 is at -0.548820 2.057348 2.898820 ESP Fit Center 5068 is at -0.691442 2.449200 2.898820 ESP Fit Center 5069 is at -4.080214 1.851668 2.898820 ESP Fit Center 5070 is at -4.080214 1.434668 2.898820 ESP Fit Center 5071 is at -3.984047 1.028909 2.898820 ESP Fit Center 5072 is at -3.796898 0.656264 2.898820 ESP Fit Center 5073 is at -3.528856 0.336824 2.898820 ESP Fit Center 5074 is at -3.194371 0.087809 2.898820 ESP Fit Center 5075 is at -1.223902 0.202575 2.898820 ESP Fit Center 5076 is at -0.920587 0.488738 2.898820 ESP Fit Center 5077 is at -0.691442 0.837136 2.898820 ESP Fit Center 5078 is at -0.548820 1.228988 2.898820 ESP Fit Center 5079 is at -0.300804 1.643168 2.525384 ESP Fit Center 5080 is at -0.344412 2.058072 2.525384 ESP Fit Center 5081 is at -4.248355 1.228264 2.525384 ESP Fit Center 5082 is at -4.119436 0.831493 2.525384 ESP Fit Center 5083 is at -3.910841 0.470196 2.525384 ESP Fit Center 5084 is at -3.631687 0.160163 2.525384 ESP Fit Center 5085 is at -0.681925 0.470196 2.525384 ESP Fit Center 5086 is at -0.473330 0.831493 2.525384 ESP Fit Center 5087 is at -0.344412 1.228264 2.525384 ESP Fit Center 5088 is at -4.057849 0.466195 2.120183 ESP Fit Center 5089 is at 0.025598 -1.408696 -3.029850 ESP Fit Center 5090 is at -0.360215 -1.408696 -3.166968 ESP Fit Center 5091 is at -0.468653 -1.004001 -3.166968 ESP Fit Center 5092 is at -2.098649 -1.883013 4.045964 ESP Fit Center 5093 is at -1.894399 -2.236784 4.045964 ESP Fit Center 5094 is at -2.094844 -1.182060 3.962658 ESP Fit Center 5095 is at -2.391102 -1.478318 3.962658 ESP Fit Center 5096 is at -2.499539 -1.883013 3.962658 ESP Fit Center 5097 is at -2.391102 -2.287708 3.962658 ESP Fit Center 5098 is at -2.094844 -2.583966 3.962658 ESP Fit Center 5099 is at -1.690149 -2.692403 3.962658 ESP Fit Center 5100 is at -2.287751 -0.847937 3.825540 ESP Fit Center 5101 is at -2.605728 -1.114751 3.825540 ESP Fit Center 5102 is at -2.813273 -1.474229 3.825540 ESP Fit Center 5103 is at -2.885352 -1.883013 3.825540 ESP Fit Center 5104 is at -2.813273 -2.291797 3.825540 ESP Fit Center 5105 is at -2.605728 -2.651275 3.825540 ESP Fit Center 5106 is at -2.287751 -2.918089 3.825540 ESP Fit Center 5107 is at -1.897694 -3.060058 3.825540 ESP Fit Center 5108 is at -1.482604 -3.060058 3.825540 ESP Fit Center 5109 is at -2.212143 -0.414262 3.637164 ESP Fit Center 5110 is at -2.589051 -0.609560 3.637164 ESP Fit Center 5111 is at -3.234383 -1.670763 3.637164 ESP Fit Center 5112 is at -3.234383 -2.095263 3.637164 ESP Fit Center 5113 is at -3.119854 -2.504021 3.637164 ESP Fit Center 5114 is at -2.899291 -2.866722 3.637164 ESP Fit Center 5115 is at -2.589051 -3.156466 3.637164 ESP Fit Center 5116 is at -2.212143 -3.351764 3.637164 ESP Fit Center 5117 is at -1.796522 -3.438131 3.637164 ESP Fit Center 5118 is at -1.373012 -3.409162 3.637164 ESP Fit Center 5119 is at -2.390918 -0.124215 3.401040 ESP Fit Center 5120 is at -3.572315 -2.087711 3.401040 ESP Fit Center 5121 is at -3.484307 -2.487535 3.401040 ESP Fit Center 5122 is at -3.312406 -2.859092 3.401040 ESP Fit Center 5123 is at -3.064650 -3.185009 3.401040 ESP Fit Center 5124 is at -2.752624 -3.450047 3.401040 ESP Fit Center 5125 is at -2.390918 -3.641811 3.401040 ESP Fit Center 5126 is at -1.996445 -3.751336 3.401040 ESP Fit Center 5127 is at -1.587650 -3.773500 3.401040 ESP Fit Center 5128 is at -1.183647 -3.707267 3.401040 ESP Fit Center 5129 is at -3.793845 -2.500714 3.121566 ESP Fit Center 5130 is at -3.638928 -2.887678 3.121566 ESP Fit Center 5131 is at -3.413577 -3.238331 3.121566 ESP Fit Center 5132 is at -3.125936 -3.540000 3.121566 ESP Fit Center 5133 is at -1.173246 -4.013717 3.121566 ESP Fit Center 5134 is at -0.779348 -3.877388 3.121566 ESP Fit Center 5135 is at -4.061975 -2.500588 2.803947 ESP Fit Center 5136 is at -3.923488 -2.892546 2.803947 ESP Fit Center 5137 is at -3.720751 -3.255461 2.803947 ESP Fit Center 5138 is at -0.776312 -4.157185 2.803947 ESP Fit Center 5139 is at -0.405119 -3.970034 2.803947 ESP Fit Center 5140 is at -4.223436 -2.706128 2.454101 ESP Fit Center 5141 is at -4.063484 -3.092287 2.454101 ESP Fit Center 5142 is at -0.480875 -4.256348 2.454101 ESP Fit Center 5143 is at -4.330410 -2.892827 2.078545 ESP Fit Center 5144 is at -4.155243 -3.266491 2.078545 ESP Fit Center 5145 is at -4.450263 -2.887612 1.684274 ESP Fit Center 5146 is at -4.283589 -3.261969 1.684274 ESP Fit Center 5147 is at -4.502655 -2.906681 1.278633 ESP Fit Center 5148 is at -4.332817 -3.288144 1.278633 ESP Fit Center 5149 is at -4.502655 -2.906681 0.869179 ESP Fit Center 5150 is at -4.332817 -3.288144 0.869179 ESP Fit Center 5151 is at -4.450263 -2.887612 0.463538 ESP Fit Center 5152 is at -4.283589 -3.261969 0.463538 ESP Fit Center 5153 is at -4.848753 -0.485533 0.020947 ESP Fit Center 5154 is at -4.932388 -0.271277 -0.378950 ESP Fit Center 5155 is at -4.942518 -0.070264 -0.792764 ESP Fit Center 5156 is at -4.942518 -0.070264 -1.211252 ESP Fit Center 5157 is at -4.806290 0.127174 -1.625067 ESP Fit Center 5158 is at -4.932388 -0.271277 -1.625067 ESP Fit Center 5159 is at -4.596757 0.290031 -2.024963 ESP Fit Center 5160 is at -4.753274 -0.087835 -2.024963 ESP Fit Center 5161 is at -4.283425 0.464596 -2.402008 ESP Fit Center 5162 is at -4.484007 0.105536 -2.402008 ESP Fit Center 5163 is at -4.621023 -0.282257 -2.402008 ESP Fit Center 5164 is at -3.995167 0.459958 -2.747780 ESP Fit Center 5165 is at -4.220170 0.109846 -2.747780 ESP Fit Center 5166 is at -4.374849 -0.276522 -2.747780 ESP Fit Center 5167 is at -3.343167 0.683049 -3.054553 ESP Fit Center 5168 is at -3.657042 0.416441 -3.054553 ESP Fit Center 5169 is at -3.906266 0.088593 -3.054553 ESP Fit Center 5170 is at -4.079186 -0.285166 -3.054553 ESP Fit Center 5171 is at -4.167715 -0.687360 -3.054553 ESP Fit Center 5172 is at -1.764892 -2.728336 -3.054553 ESP Fit Center 5173 is at -0.697100 -0.893271 -3.315477 ESP Fit Center 5174 is at -0.750845 -0.485037 -3.315477 ESP Fit Center 5175 is at -0.908417 -0.104623 -3.315477 ESP Fit Center 5176 is at -1.159079 0.222046 -3.315477 ESP Fit Center 5177 is at -1.485748 0.472708 -3.315477 ESP Fit Center 5178 is at -2.682630 0.630280 -3.315477 ESP Fit Center 5179 is at -3.063044 0.472708 -3.315477 ESP Fit Center 5180 is at -3.389713 0.222046 -3.315477 ESP Fit Center 5181 is at -3.640374 -0.104623 -3.315477 ESP Fit Center 5182 is at -3.797947 -0.485037 -3.315477 ESP Fit Center 5183 is at -3.851692 -0.893271 -3.315477 ESP Fit Center 5184 is at -2.274396 -2.470567 -3.315477 ESP Fit Center 5185 is at -1.866161 -2.416822 -3.315477 ESP Fit Center 5186 is at -1.485748 -2.259250 -3.315477 ESP Fit Center 5187 is at -1.159079 -2.008588 -3.315477 ESP Fit Center 5188 is at -0.908417 -1.681919 -3.315477 ESP Fit Center 5189 is at -0.750845 -1.301505 -3.315477 ESP Fit Center 5190 is at -1.059521 -0.893271 -3.524721 ESP Fit Center 5191 is at -1.132787 -0.477759 -3.524721 ESP Fit Center 5192 is at -1.343748 -0.112365 -3.524721 ESP Fit Center 5193 is at -1.666958 0.158841 -3.524721 ESP Fit Center 5194 is at -2.063435 0.303147 -3.524721 ESP Fit Center 5195 is at -2.485356 0.303147 -3.524721 ESP Fit Center 5196 is at -2.881833 0.158841 -3.524721 ESP Fit Center 5197 is at -3.205044 -0.112365 -3.524721 ESP Fit Center 5198 is at -3.416004 -0.477759 -3.524721 ESP Fit Center 5199 is at -3.489270 -0.893271 -3.524721 ESP Fit Center 5200 is at -3.416004 -1.308783 -3.524721 ESP Fit Center 5201 is at -3.205044 -1.674177 -3.524721 ESP Fit Center 5202 is at -2.881833 -1.945383 -3.524721 ESP Fit Center 5203 is at -2.485356 -2.089689 -3.524721 ESP Fit Center 5204 is at -2.063435 -2.089689 -3.524721 ESP Fit Center 5205 is at -1.666958 -1.945383 -3.524721 ESP Fit Center 5206 is at -1.343748 -1.674177 -3.524721 ESP Fit Center 5207 is at -1.132787 -1.308783 -3.524721 ESP Fit Center 5208 is at -1.449081 -0.893271 -3.677612 ESP Fit Center 5209 is at -1.559652 -0.480614 -3.677612 ESP Fit Center 5210 is at -1.861738 -0.178528 -3.677612 ESP Fit Center 5211 is at -2.274396 -0.067957 -3.677612 ESP Fit Center 5212 is at -2.687053 -0.178528 -3.677612 ESP Fit Center 5213 is at -2.989139 -0.480614 -3.677612 ESP Fit Center 5214 is at -3.099710 -0.893271 -3.677612 ESP Fit Center 5215 is at -2.989139 -1.305928 -3.677612 ESP Fit Center 5216 is at -2.687053 -1.608014 -3.677612 ESP Fit Center 5217 is at -2.274396 -1.718586 -3.677612 ESP Fit Center 5218 is at -1.861738 -1.608014 -3.677612 ESP Fit Center 5219 is at -1.559652 -1.305928 -3.677612 ESP Fit Center 5220 is at -1.857077 -0.893271 -3.770735 ESP Fit Center 5221 is at -2.065737 -0.531863 -3.770735 ESP Fit Center 5222 is at -2.483055 -0.531863 -3.770735 ESP Fit Center 5223 is at -2.691714 -0.893271 -3.770735 ESP Fit Center 5224 is at -2.483055 -1.254679 -3.770735 ESP Fit Center 5225 is at -2.065737 -1.254679 -3.770735 ESP Fit Center 5226 is at -2.274396 -0.893271 -3.802008 ESP Fit Center 5227 is at 2.753580 2.455789 2.870140 ESP Fit Center 5228 is at 3.170898 2.455789 2.838866 ESP Fit Center 5229 is at 2.962239 2.817198 2.838866 ESP Fit Center 5230 is at 2.544921 2.817198 2.838866 ESP Fit Center 5231 is at 2.336262 2.455789 2.838866 ESP Fit Center 5232 is at 2.962239 2.094381 2.838866 ESP Fit Center 5233 is at 3.578894 2.455789 2.745744 ESP Fit Center 5234 is at 3.468323 2.868447 2.745744 ESP Fit Center 5235 is at 3.166237 3.170533 2.745744 ESP Fit Center 5236 is at 2.753580 3.281104 2.745744 ESP Fit Center 5237 is at 2.340923 3.170533 2.745744 ESP Fit Center 5238 is at 2.038837 2.868447 2.745744 ESP Fit Center 5239 is at 3.166237 1.741046 2.745744 ESP Fit Center 5240 is at 3.468323 2.043132 2.745744 ESP Fit Center 5241 is at 3.968454 2.455789 2.592853 ESP Fit Center 5242 is at 3.895188 2.871301 2.592853 ESP Fit Center 5243 is at 3.684228 3.236696 2.592853 ESP Fit Center 5244 is at 3.361017 3.507902 2.592853 ESP Fit Center 5245 is at 2.964541 3.652207 2.592853 ESP Fit Center 5246 is at 2.542619 3.652207 2.592853 ESP Fit Center 5247 is at 2.146143 3.507902 2.592853 ESP Fit Center 5248 is at 1.822932 3.236696 2.592853 ESP Fit Center 5249 is at 3.361017 1.403677 2.592853 ESP Fit Center 5250 is at 3.684228 1.674883 2.592853 ESP Fit Center 5251 is at 3.895188 2.040278 2.592853 ESP Fit Center 5252 is at 4.330876 2.455789 2.383608 ESP Fit Center 5253 is at 4.277131 2.864024 2.383608 ESP Fit Center 5254 is at 4.119558 3.244438 2.383608 ESP Fit Center 5255 is at 3.868897 3.571106 2.383608 ESP Fit Center 5256 is at 3.542228 3.821768 2.383608 ESP Fit Center 5257 is at 3.161814 3.979341 2.383608 ESP Fit Center 5258 is at 2.753580 4.033086 2.383608 ESP Fit Center 5259 is at 2.345346 3.979341 2.383608 ESP Fit Center 5260 is at 1.964932 3.821768 2.383608 ESP Fit Center 5261 is at 1.638263 3.571106 2.383608 ESP Fit Center 5262 is at 3.868897 1.340473 2.383608 ESP Fit Center 5263 is at 4.119558 1.667141 2.383608 ESP Fit Center 5264 is at 4.277131 2.047555 2.383608 ESP Fit Center 5265 is at 4.658064 2.455789 2.122685 ESP Fit Center 5266 is at 4.613538 2.865197 2.122685 ESP Fit Center 5267 is at 4.482042 3.255461 2.122685 ESP Fit Center 5268 is at 4.269726 3.608334 2.122685 ESP Fit Center 5269 is at 3.986516 3.907315 2.122685 ESP Fit Center 5270 is at 3.645656 4.138424 2.122685 ESP Fit Center 5271 is at 3.263083 4.290855 2.122685 ESP Fit Center 5272 is at 2.856687 4.357480 2.122685 ESP Fit Center 5273 is at 2.445469 4.335184 2.122685 ESP Fit Center 5274 is at 2.048658 4.225010 2.122685 ESP Fit Center 5275 is at 1.684808 4.032110 2.122685 ESP Fit Center 5276 is at 1.370933 3.765502 2.122685 ESP Fit Center 5277 is at 4.269726 1.303245 2.122685 ESP Fit Center 5278 is at 4.482042 1.656117 2.122685 ESP Fit Center 5279 is at 4.613538 2.046382 2.122685 ESP Fit Center 5280 is at 4.942708 2.455789 1.815911 ESP Fit Center 5281 is at 4.903148 2.870085 1.815911 ESP Fit Center 5282 is at 4.785896 3.269406 1.815911 ESP Fit Center 5283 is at 4.595192 3.639321 1.815911 ESP Fit Center 5284 is at 4.337926 3.966461 1.815911 ESP Fit Center 5285 is at 4.023399 4.239001 1.815911 ESP Fit Center 5286 is at 3.662977 4.447090 1.815911 ESP Fit Center 5287 is at 3.269686 4.583209 1.815911 ESP Fit Center 5288 is at 2.857743 4.642438 1.815911 ESP Fit Center 5289 is at 2.442034 4.622635 1.815911 ESP Fit Center 5290 is at 2.037586 4.524517 1.815911 ESP Fit Center 5291 is at 1.659016 4.351630 1.815911 ESP Fit Center 5292 is at 1.320006 4.110222 1.815911 ESP Fit Center 5293 is at 4.595192 1.272257 1.815911 ESP Fit Center 5294 is at 4.785896 1.642173 1.815911 ESP Fit Center 5295 is at 4.903148 2.041494 1.815911 ESP Fit Center 5296 is at 5.178451 2.455789 1.470140 ESP Fit Center 5297 is at 5.143571 2.865595 1.470140 ESP Fit Center 5298 is at 5.039936 3.263611 1.470140 ESP Fit Center 5299 is at 4.870527 3.638387 1.470140 ESP Fit Center 5300 is at 4.640216 3.979142 1.470140 ESP Fit Center 5301 is at 4.355631 4.276073 1.470140 ESP Fit Center 5302 is at 4.024957 4.520638 1.470140 ESP Fit Center 5303 is at 3.657709 4.705801 1.470140 ESP Fit Center 5304 is at 3.264450 4.826235 1.470140 ESP Fit Center 5305 is at 2.856494 4.878476 1.470140 ESP Fit Center 5306 is at 2.445578 4.861020 1.470140 ESP Fit Center 5307 is at 2.043522 4.774371 1.470140 ESP Fit Center 5308 is at 1.661894 4.621020 1.470140 ESP Fit Center 5309 is at 1.311671 4.405379 1.470140 ESP Fit Center 5310 is at 4.870527 1.273192 1.470140 ESP Fit Center 5311 is at 5.039936 1.647968 1.470140 ESP Fit Center 5312 is at 5.143571 2.045984 1.470140 ESP Fit Center 5313 is at 5.360026 2.455789 1.093095 ESP Fit Center 5314 is at 5.327937 2.863527 1.093095 ESP Fit Center 5315 is at 5.232458 3.261226 1.093095 ESP Fit Center 5316 is at 5.075941 3.639091 1.093095 ESP Fit Center 5317 is at 4.862239 3.987820 1.093095 ESP Fit Center 5318 is at 4.596616 4.298825 1.093095 ESP Fit Center 5319 is at 4.285611 4.564449 1.093095 ESP Fit Center 5320 is at 3.936882 4.778150 1.093095 ESP Fit Center 5321 is at 3.559016 4.934667 1.093095 ESP Fit Center 5322 is at 3.161318 5.030146 1.093095 ESP Fit Center 5323 is at 2.753580 5.062236 1.093095 ESP Fit Center 5324 is at 2.345842 5.030146 1.093095 ESP Fit Center 5325 is at 1.948144 4.934667 1.093095 ESP Fit Center 5326 is at 1.570278 4.778150 1.093095 ESP Fit Center 5327 is at 5.075941 1.272487 1.093095 ESP Fit Center 5328 is at 5.232458 1.650353 1.093095 ESP Fit Center 5329 is at 5.327937 2.048051 1.093095 ESP Fit Center 5330 is at 5.483378 2.455789 0.693199 ESP Fit Center 5331 is at 5.451386 2.872491 0.693199 ESP Fit Center 5332 is at 5.356160 3.279426 0.693199 ESP Fit Center 5333 is at 5.199931 3.667055 0.693199 ESP Fit Center 5334 is at 4.986362 4.026293 0.693199 ESP Fit Center 5335 is at 4.720458 4.348720 0.693199 ESP Fit Center 5336 is at 4.408453 4.626778 0.693199 ESP Fit Center 5337 is at 4.057659 4.853951 0.693199 ESP Fit Center 5338 is at 3.676298 5.024912 0.693199 ESP Fit Center 5339 is at 3.273309 5.135655 0.693199 ESP Fit Center 5340 is at 2.858139 5.183584 0.693199 ESP Fit Center 5341 is at 2.440517 5.167577 0.693199 ESP Fit Center 5342 is at 2.030234 5.088007 0.693199 ESP Fit Center 5343 is at 1.636905 4.946740 0.693199 ESP Fit Center 5344 is at 5.199931 1.244524 0.693199 ESP Fit Center 5345 is at 5.356160 1.632153 0.693199 ESP Fit Center 5346 is at 5.451386 2.039088 0.693199 ESP Fit Center 5347 is at 5.545750 2.455789 0.279384 ESP Fit Center 5348 is at 5.514564 2.871941 0.279384 ESP Fit Center 5349 is at 5.421702 3.278796 0.279384 ESP Fit Center 5350 is at 5.269239 3.667267 0.279384 ESP Fit Center 5351 is at 5.060579 4.028675 0.279384 ESP Fit Center 5352 is at 4.800386 4.354948 0.279384 ESP Fit Center 5353 is at 4.494470 4.638796 0.279384 ESP Fit Center 5354 is at 4.149665 4.873880 0.279384 ESP Fit Center 5355 is at 3.773674 5.054948 0.279384 ESP Fit Center 5356 is at 3.374896 5.177955 0.279384 ESP Fit Center 5357 is at 2.962239 5.240153 0.279384 ESP Fit Center 5358 is at 2.544921 5.240153 0.279384 ESP Fit Center 5359 is at 2.132263 5.177955 0.279384 ESP Fit Center 5360 is at 1.733485 5.054948 0.279384 ESP Fit Center 5361 is at 5.269239 1.244312 0.279384 ESP Fit Center 5362 is at 5.421702 1.632783 0.279384 ESP Fit Center 5363 is at 5.514564 2.039638 0.279384 ESP Fit Center 5364 is at 5.545750 2.455789 -0.139104 ESP Fit Center 5365 is at 5.514564 2.871941 -0.139104 ESP Fit Center 5366 is at 5.421702 3.278796 -0.139104 ESP Fit Center 5367 is at 5.269239 3.667267 -0.139104 ESP Fit Center 5368 is at 5.060579 4.028675 -0.139104 ESP Fit Center 5369 is at 4.800386 4.354948 -0.139104 ESP Fit Center 5370 is at 4.494470 4.638796 -0.139104 ESP Fit Center 5371 is at 4.149665 4.873880 -0.139104 ESP Fit Center 5372 is at 3.773674 5.054948 -0.139104 ESP Fit Center 5373 is at 3.374896 5.177955 -0.139104 ESP Fit Center 5374 is at 2.962239 5.240153 -0.139104 ESP Fit Center 5375 is at 2.544921 5.240153 -0.139104 ESP Fit Center 5376 is at 2.132263 5.177955 -0.139104 ESP Fit Center 5377 is at 1.733485 5.054948 -0.139104 ESP Fit Center 5378 is at 5.269239 1.244312 -0.139104 ESP Fit Center 5379 is at 5.421702 1.632783 -0.139104 ESP Fit Center 5380 is at 5.514564 2.039638 -0.139104 ESP Fit Center 5381 is at 5.483378 2.455789 -0.552919 ESP Fit Center 5382 is at 5.451386 2.872491 -0.552919 ESP Fit Center 5383 is at 5.356160 3.279426 -0.552919 ESP Fit Center 5384 is at 5.199931 3.667055 -0.552919 ESP Fit Center 5385 is at 4.986362 4.026293 -0.552919 ESP Fit Center 5386 is at 4.720458 4.348720 -0.552919 ESP Fit Center 5387 is at 4.408453 4.626778 -0.552919 ESP Fit Center 5388 is at 4.057659 4.853951 -0.552919 ESP Fit Center 5389 is at 3.676298 5.024912 -0.552919 ESP Fit Center 5390 is at 3.273309 5.135655 -0.552919 ESP Fit Center 5391 is at 2.858139 5.183584 -0.552919 ESP Fit Center 5392 is at 2.440517 5.167577 -0.552919 ESP Fit Center 5393 is at 2.030234 5.088007 -0.552919 ESP Fit Center 5394 is at 1.636905 4.946740 -0.552919 ESP Fit Center 5395 is at 5.199931 1.244524 -0.552919 ESP Fit Center 5396 is at 5.356160 1.632153 -0.552919 ESP Fit Center 5397 is at 5.451386 2.039088 -0.552919 ESP Fit Center 5398 is at 5.360026 2.455789 -0.952815 ESP Fit Center 5399 is at 5.327937 2.863527 -0.952815 ESP Fit Center 5400 is at 5.232458 3.261226 -0.952815 ESP Fit Center 5401 is at 5.075941 3.639091 -0.952815 ESP Fit Center 5402 is at 4.862239 3.987820 -0.952815 ESP Fit Center 5403 is at 4.596616 4.298825 -0.952815 ESP Fit Center 5404 is at 4.285611 4.564449 -0.952815 ESP Fit Center 5405 is at 3.936882 4.778150 -0.952815 ESP Fit Center 5406 is at 3.559016 4.934667 -0.952815 ESP Fit Center 5407 is at 3.161318 5.030146 -0.952815 ESP Fit Center 5408 is at 2.753580 5.062236 -0.952815 ESP Fit Center 5409 is at 2.345842 5.030146 -0.952815 ESP Fit Center 5410 is at 1.948144 4.934667 -0.952815 ESP Fit Center 5411 is at 5.075941 1.272487 -0.952815 ESP Fit Center 5412 is at 5.232458 1.650353 -0.952815 ESP Fit Center 5413 is at 5.327937 2.048051 -0.952815 ESP Fit Center 5414 is at 5.178451 2.455789 -1.329860 ESP Fit Center 5415 is at 5.143571 2.865595 -1.329860 ESP Fit Center 5416 is at 5.039936 3.263611 -1.329860 ESP Fit Center 5417 is at 4.870527 3.638387 -1.329860 ESP Fit Center 5418 is at 4.640216 3.979142 -1.329860 ESP Fit Center 5419 is at 4.355631 4.276073 -1.329860 ESP Fit Center 5420 is at 4.024957 4.520638 -1.329860 ESP Fit Center 5421 is at 3.657709 4.705801 -1.329860 ESP Fit Center 5422 is at 3.264450 4.826235 -1.329860 ESP Fit Center 5423 is at 2.856494 4.878476 -1.329860 ESP Fit Center 5424 is at 2.445578 4.861020 -1.329860 ESP Fit Center 5425 is at 2.043522 4.774371 -1.329860 ESP Fit Center 5426 is at 1.661894 4.621020 -1.329860 ESP Fit Center 5427 is at 4.870527 1.273192 -1.329860 ESP Fit Center 5428 is at 5.039936 1.647968 -1.329860 ESP Fit Center 5429 is at 5.143571 2.045984 -1.329860 ESP Fit Center 5430 is at 4.942708 2.455789 -1.675632 ESP Fit Center 5431 is at 4.903148 2.870085 -1.675632 ESP Fit Center 5432 is at 4.785896 3.269406 -1.675632 ESP Fit Center 5433 is at 4.595192 3.639321 -1.675632 ESP Fit Center 5434 is at 4.337926 3.966461 -1.675632 ESP Fit Center 5435 is at 4.023399 4.239001 -1.675632 ESP Fit Center 5436 is at 3.662977 4.447090 -1.675632 ESP Fit Center 5437 is at 3.269686 4.583209 -1.675632 ESP Fit Center 5438 is at 2.857743 4.642438 -1.675632 ESP Fit Center 5439 is at 2.442034 4.622635 -1.675632 ESP Fit Center 5440 is at 2.037586 4.524517 -1.675632 ESP Fit Center 5441 is at 1.659016 4.351630 -1.675632 ESP Fit Center 5442 is at 4.595192 1.272257 -1.675632 ESP Fit Center 5443 is at 4.785896 1.642173 -1.675632 ESP Fit Center 5444 is at 4.903148 2.041494 -1.675632 ESP Fit Center 5445 is at 4.658064 2.455789 -1.982405 ESP Fit Center 5446 is at 4.613538 2.865197 -1.982405 ESP Fit Center 5447 is at 4.482042 3.255461 -1.982405 ESP Fit Center 5448 is at 4.269726 3.608334 -1.982405 ESP Fit Center 5449 is at 3.986516 3.907315 -1.982405 ESP Fit Center 5450 is at 3.645656 4.138424 -1.982405 ESP Fit Center 5451 is at 3.263083 4.290855 -1.982405 ESP Fit Center 5452 is at 2.856687 4.357480 -1.982405 ESP Fit Center 5453 is at 2.445469 4.335184 -1.982405 ESP Fit Center 5454 is at 2.048658 4.225010 -1.982405 ESP Fit Center 5455 is at 1.684808 4.032110 -1.982405 ESP Fit Center 5456 is at 4.269726 1.303245 -1.982405 ESP Fit Center 5457 is at 4.482042 1.656117 -1.982405 ESP Fit Center 5458 is at 4.613538 2.046382 -1.982405 ESP Fit Center 5459 is at 4.330876 2.455789 -2.243329 ESP Fit Center 5460 is at 4.277131 2.864024 -2.243329 ESP Fit Center 5461 is at 4.119558 3.244438 -2.243329 ESP Fit Center 5462 is at 3.868897 3.571106 -2.243329 ESP Fit Center 5463 is at 3.542228 3.821768 -2.243329 ESP Fit Center 5464 is at 3.161814 3.979341 -2.243329 ESP Fit Center 5465 is at 2.753580 4.033086 -2.243329 ESP Fit Center 5466 is at 2.345346 3.979341 -2.243329 ESP Fit Center 5467 is at 1.964932 3.821768 -2.243329 ESP Fit Center 5468 is at 3.868897 1.340473 -2.243329 ESP Fit Center 5469 is at 4.119558 1.667141 -2.243329 ESP Fit Center 5470 is at 4.277131 2.047555 -2.243329 ESP Fit Center 5471 is at 3.968454 2.455789 -2.452573 ESP Fit Center 5472 is at 3.895188 2.871301 -2.452573 ESP Fit Center 5473 is at 3.684228 3.236696 -2.452573 ESP Fit Center 5474 is at 3.361017 3.507902 -2.452573 ESP Fit Center 5475 is at 2.964541 3.652207 -2.452573 ESP Fit Center 5476 is at 2.542619 3.652207 -2.452573 ESP Fit Center 5477 is at 2.146143 3.507902 -2.452573 ESP Fit Center 5478 is at 3.684228 1.674883 -2.452573 ESP Fit Center 5479 is at 3.895188 2.040278 -2.452573 ESP Fit Center 5480 is at 3.578894 2.455789 -2.605464 ESP Fit Center 5481 is at 3.468323 2.868447 -2.605464 ESP Fit Center 5482 is at 3.166237 3.170533 -2.605464 ESP Fit Center 5483 is at 2.753580 3.281104 -2.605464 ESP Fit Center 5484 is at 2.340923 3.170533 -2.605464 ESP Fit Center 5485 is at 3.468323 2.043132 -2.605464 ESP Fit Center 5486 is at 3.170898 2.455789 -2.698586 ESP Fit Center 5487 is at 2.962239 2.817198 -2.698586 ESP Fit Center 5488 is at 2.544921 2.817198 -2.698586 ESP Fit Center 5489 is at 1.835969 1.633115 2.984080 ESP Fit Center 5490 is at 2.244469 1.633115 2.956138 ESP Fit Center 5491 is at 2.040219 1.986886 2.956138 ESP Fit Center 5492 is at 1.631719 1.986886 2.956138 ESP Fit Center 5493 is at 1.427469 1.633115 2.956138 ESP Fit Center 5494 is at 1.631719 1.279343 2.956138 ESP Fit Center 5495 is at 2.040219 1.279343 2.956138 ESP Fit Center 5496 is at 2.645359 1.633115 2.872832 ESP Fit Center 5497 is at 2.536921 2.037810 2.872832 ESP Fit Center 5498 is at 2.240664 2.334067 2.872832 ESP Fit Center 5499 is at 1.835969 2.442505 2.872832 ESP Fit Center 5500 is at 1.431274 2.334067 2.872832 ESP Fit Center 5501 is at 1.135016 2.037810 2.872832 ESP Fit Center 5502 is at 1.026579 1.633115 2.872832 ESP Fit Center 5503 is at 1.135016 1.228420 2.872832 ESP Fit Center 5504 is at 2.536921 1.228420 2.872832 ESP Fit Center 5505 is at 3.031172 1.633115 2.735714 ESP Fit Center 5506 is at 1.628424 2.810160 2.735714 ESP Fit Center 5507 is at 1.238367 2.668191 2.735714 ESP Fit Center 5508 is at 0.712845 1.224331 2.735714 ESP Fit Center 5509 is at 1.313975 3.101866 2.547338 ESP Fit Center 5510 is at 3.684969 1.226119 -2.343054 ESP Fit Center 5511 is at 3.394721 1.633115 -2.579178 ESP Fit Center 5512 is at 2.153106 3.159264 -2.579178 ESP Fit Center 5513 is at 1.729596 3.188233 -2.579178 ESP Fit Center 5514 is at 3.336918 1.212568 -2.579178 ESP Fit Center 5515 is at 3.031172 1.633115 -2.767554 ESP Fit Center 5516 is at 2.959093 2.041898 -2.767554 ESP Fit Center 5517 is at 2.751548 2.401377 -2.767554 ESP Fit Center 5518 is at 2.433570 2.668191 -2.767554 ESP Fit Center 5519 is at 2.043514 2.810160 -2.767554 ESP Fit Center 5520 is at 2.959093 1.224331 -2.767554 ESP Fit Center 5521 is at 2.645359 1.633115 -2.904672 ESP Fit Center 5522 is at 2.536921 2.037810 -2.904672 ESP Fit Center 5523 is at 2.240664 2.334067 -2.904672 ESP Fit Center 5524 is at 1.835969 2.442505 -2.904672 ESP Fit Center 5525 is at 1.431274 0.932162 -2.904672 ESP Fit Center 5526 is at 1.835969 0.823724 -2.904672 ESP Fit Center 5527 is at 2.240664 0.932162 -2.904672 ESP Fit Center 5528 is at 2.536921 1.228420 -2.904672 ESP Fit Center 5529 is at 2.244469 1.633115 -2.987978 ESP Fit Center 5530 is at 2.040219 1.986886 -2.987978 ESP Fit Center 5531 is at 1.631719 1.986886 -2.987978 ESP Fit Center 5532 is at 1.427469 1.633115 -2.987978 ESP Fit Center 5533 is at 1.631719 1.279343 -2.987978 ESP Fit Center 5534 is at 2.040219 1.279343 -2.987978 ESP Fit Center 5535 is at 1.835969 1.633115 -3.015920 ESP Fit Center 5536 is at 2.095956 0.280670 3.043392 ESP Fit Center 5537 is at 2.504455 0.280670 3.015450 ESP Fit Center 5538 is at 2.300205 0.634442 3.015450 ESP Fit Center 5539 is at 1.891706 0.634442 3.015450 ESP Fit Center 5540 is at 1.687456 0.280670 3.015450 ESP Fit Center 5541 is at 1.891706 -0.073101 3.015450 ESP Fit Center 5542 is at 2.300205 -0.073101 3.015450 ESP Fit Center 5543 is at 2.905346 0.280670 2.932144 ESP Fit Center 5544 is at 2.796908 0.685365 2.932144 ESP Fit Center 5545 is at 2.500651 0.981623 2.932144 ESP Fit Center 5546 is at 2.095956 1.090060 2.932144 ESP Fit Center 5547 is at 1.691260 0.981623 2.932144 ESP Fit Center 5548 is at 1.395003 0.685365 2.932144 ESP Fit Center 5549 is at 1.286565 0.280670 2.932144 ESP Fit Center 5550 is at 1.395003 -0.124025 2.932144 ESP Fit Center 5551 is at 1.691260 -0.420282 2.932144 ESP Fit Center 5552 is at 2.500651 -0.420282 2.932144 ESP Fit Center 5553 is at 2.796908 -0.124025 2.932144 ESP Fit Center 5554 is at 3.291159 0.280670 2.795026 ESP Fit Center 5555 is at 3.219079 0.689454 2.795026 ESP Fit Center 5556 is at 3.011534 1.048932 2.795026 ESP Fit Center 5557 is at 0.972832 0.689454 2.795026 ESP Fit Center 5558 is at 0.900752 0.280670 2.795026 ESP Fit Center 5559 is at 3.011534 -0.487592 2.795026 ESP Fit Center 5560 is at 3.219079 -0.128113 2.795026 ESP Fit Center 5561 is at 3.654707 0.280670 2.606650 ESP Fit Center 5562 is at 3.596905 0.701216 2.606650 ESP Fit Center 5563 is at 3.427783 1.090573 2.606650 ESP Fit Center 5564 is at 3.427783 -0.529232 2.606650 ESP Fit Center 5565 is at 3.596905 -0.139876 2.606650 ESP Fit Center 5566 is at 3.989219 0.280670 2.370526 ESP Fit Center 5567 is at 3.944956 0.687666 2.370526 ESP Fit Center 5568 is at 3.814235 1.075631 2.370526 ESP Fit Center 5569 is at 4.511611 0.694876 -1.686649 ESP Fit Center 5570 is at 4.288463 0.280670 -2.004268 ESP Fit Center 5571 is at 4.248842 0.695605 -2.004268 ESP Fit Center 5572 is at 4.131410 1.095543 -2.004268 ESP Fit Center 5573 is at 4.131410 -0.534203 -2.004268 ESP Fit Center 5574 is at 4.248842 -0.134265 -2.004268 ESP Fit Center 5575 is at 3.989219 0.280670 -2.283742 ESP Fit Center 5576 is at 3.944956 0.687666 -2.283742 ESP Fit Center 5577 is at 3.814235 1.075631 -2.283742 ESP Fit Center 5578 is at 3.814235 -0.514291 -2.283742 ESP Fit Center 5579 is at 3.944956 -0.126326 -2.283742 ESP Fit Center 5580 is at 3.654707 0.280670 -2.519866 ESP Fit Center 5581 is at 3.596905 0.701216 -2.519866 ESP Fit Center 5582 is at 3.427783 1.090573 -2.519866 ESP Fit Center 5583 is at 3.427783 -0.529232 -2.519866 ESP Fit Center 5584 is at 3.596905 -0.139876 -2.519866 ESP Fit Center 5585 is at 3.291159 0.280670 -2.708242 ESP Fit Center 5586 is at 3.219079 0.689454 -2.708242 ESP Fit Center 5587 is at 3.011534 -0.487592 -2.708242 ESP Fit Center 5588 is at 3.219079 -0.128113 -2.708242 ESP Fit Center 5589 is at 2.905346 0.280670 -2.845360 ESP Fit Center 5590 is at 2.796908 0.685365 -2.845360 ESP Fit Center 5591 is at 1.395003 0.685365 -2.845360 ESP Fit Center 5592 is at 2.500651 -0.420282 -2.845360 ESP Fit Center 5593 is at 2.796908 -0.124025 -2.845360 ESP Fit Center 5594 is at 2.504455 0.280670 -2.928666 ESP Fit Center 5595 is at 2.300205 0.634442 -2.928666 ESP Fit Center 5596 is at 1.891706 0.634442 -2.928666 ESP Fit Center 5597 is at 1.687456 0.280670 -2.928666 ESP Fit Center 5598 is at 1.891706 -0.073101 -2.928666 ESP Fit Center 5599 is at 2.300205 -0.073101 -2.928666 ESP Fit Center 5600 is at 2.095956 0.280670 -2.956608 ESP Fit Center 5601 is at 1.370547 -0.389714 2.937158 ESP Fit Center 5602 is at 0.962047 -0.389714 2.937158 ESP Fit Center 5603 is at 0.761601 -0.042533 2.853852 ESP Fit Center 5604 is at 0.568695 0.291591 2.716734 ESP Fit Center 5605 is at 1.867249 -0.338790 -2.923652 ESP Fit Center 5606 is at 1.570992 -0.042533 -2.923652 ESP Fit Center 5607 is at 1.166297 0.065905 -2.923652 ESP Fit Center 5608 is at 1.574797 -0.743485 -3.006958 ESP Fit Center 5609 is at 1.370547 -0.389714 -3.006958 ESP Fit Center 5610 is at 0.962047 -0.389714 -3.006958 ESP Fit Center 5611 is at 1.166297 -0.743485 -3.034900 ESP Fit Center 5612 is at 1.655215 -2.463099 3.550236 ESP Fit Center 5613 is at 2.077093 -2.463099 3.524717 ESP Fit Center 5614 is at 1.866154 -2.097742 3.524717 ESP Fit Center 5615 is at 1.444276 -2.097742 3.524717 ESP Fit Center 5616 is at 1.233337 -2.463099 3.524717 ESP Fit Center 5617 is at 1.444276 -2.828457 3.524717 ESP Fit Center 5618 is at 1.866154 -2.828457 3.524717 ESP Fit Center 5619 is at 2.492820 -2.463099 3.448533 ESP Fit Center 5620 is at 2.380602 -2.044297 3.448533 ESP Fit Center 5621 is at 2.074018 -1.737712 3.448533 ESP Fit Center 5622 is at 1.655215 -1.625494 3.448533 ESP Fit Center 5623 is at 1.236413 -1.737712 3.448533 ESP Fit Center 5624 is at 0.929828 -2.044297 3.448533 ESP Fit Center 5625 is at 0.817610 -2.463099 3.448533 ESP Fit Center 5626 is at 0.929828 -2.881902 3.448533 ESP Fit Center 5627 is at 1.236413 -3.188486 3.448533 ESP Fit Center 5628 is at 1.655215 -3.300704 3.448533 ESP Fit Center 5629 is at 2.074018 -3.188486 3.448533 ESP Fit Center 5630 is at 2.380602 -2.881902 3.448533 ESP Fit Center 5631 is at 2.896332 -2.463099 3.322793 ESP Fit Center 5632 is at 2.821484 -2.038612 3.322793 ESP Fit Center 5633 is at 2.605966 -1.665324 3.322793 ESP Fit Center 5634 is at 2.275774 -1.388260 3.322793 ESP Fit Center 5635 is at 1.870733 -1.240837 3.322793 ESP Fit Center 5636 is at 1.439697 -1.240837 3.322793 ESP Fit Center 5637 is at 1.034657 -1.388260 3.322793 ESP Fit Center 5638 is at 0.704464 -3.260874 3.322793 ESP Fit Center 5639 is at 1.034657 -3.537938 3.322793 ESP Fit Center 5640 is at 1.439697 -3.685361 3.322793 ESP Fit Center 5641 is at 1.870733 -3.685361 3.322793 ESP Fit Center 5642 is at 2.275774 -3.537938 3.322793 ESP Fit Center 5643 is at 2.605966 -3.260874 3.322793 ESP Fit Center 5644 is at 2.821484 -2.887586 3.322793 ESP Fit Center 5645 is at 3.281746 -2.463099 3.149332 ESP Fit Center 5646 is at 3.226324 -2.042122 3.149332 ESP Fit Center 5647 is at 3.063832 -1.649834 3.149332 ESP Fit Center 5648 is at 2.805346 -1.312968 3.149332 ESP Fit Center 5649 is at 2.468481 -1.054482 3.149332 ESP Fit Center 5650 is at 2.076192 -0.891991 3.149332 ESP Fit Center 5651 is at 1.655215 -0.836568 3.149332 ESP Fit Center 5652 is at 1.234238 -0.891991 3.149332 ESP Fit Center 5653 is at 0.505084 -3.613230 3.149332 ESP Fit Center 5654 is at 0.841950 -3.871716 3.149332 ESP Fit Center 5655 is at 1.234238 -4.034208 3.149332 ESP Fit Center 5656 is at 1.655215 -4.089630 3.149332 ESP Fit Center 5657 is at 2.076192 -4.034208 3.149332 ESP Fit Center 5658 is at 2.468481 -3.871716 3.149332 ESP Fit Center 5659 is at 2.805346 -3.613230 3.149332 ESP Fit Center 5660 is at 3.063832 -3.276365 3.149332 ESP Fit Center 5661 is at 3.226324 -2.884076 3.149332 ESP Fit Center 5662 is at 3.643442 -2.463099 2.930680 ESP Fit Center 5663 is at 3.599994 -2.049724 2.930680 ESP Fit Center 5664 is at 3.471550 -1.654415 2.930680 ESP Fit Center 5665 is at 3.263724 -1.294449 2.930680 ESP Fit Center 5666 is at 2.985598 -0.985559 2.930680 ESP Fit Center 5667 is at 2.649328 -0.741244 2.930680 ESP Fit Center 5668 is at 2.269611 -0.572183 2.930680 ESP Fit Center 5669 is at 0.046706 -3.631749 2.930680 ESP Fit Center 5670 is at 0.324832 -3.940639 2.930680 ESP Fit Center 5671 is at 0.661102 -4.184954 2.930680 ESP Fit Center 5672 is at 1.040819 -4.354015 2.930680 ESP Fit Center 5673 is at 1.447389 -4.440434 2.930680 ESP Fit Center 5674 is at 1.863041 -4.440434 2.930680 ESP Fit Center 5675 is at 2.269611 -4.354015 2.930680 ESP Fit Center 5676 is at 2.649328 -4.184954 2.930680 ESP Fit Center 5677 is at 2.985598 -3.940639 2.930680 ESP Fit Center 5678 is at 3.263724 -3.631749 2.930680 ESP Fit Center 5679 is at 3.471550 -3.271784 2.930680 ESP Fit Center 5680 is at 3.599994 -2.876475 2.930680 ESP Fit Center 5681 is at 3.976144 -2.463099 2.670024 ESP Fit Center 5682 is at 3.938846 -2.048681 2.670024 ESP Fit Center 5683 is at 3.828150 -1.647583 2.670024 ESP Fit Center 5684 is at 3.647614 -1.272696 2.670024 ESP Fit Center 5685 is at 3.403041 -0.936070 2.670024 ESP Fit Center 5686 is at 0.051308 -4.140655 2.670024 ESP Fit Center 5687 is at 0.376622 -4.400085 2.670024 ESP Fit Center 5688 is at 0.743032 -4.597258 2.670024 ESP Fit Center 5689 is at 1.138760 -4.725838 2.670024 ESP Fit Center 5690 is at 1.551087 -4.781691 2.670024 ESP Fit Center 5691 is at 1.966761 -4.763023 2.670024 ESP Fit Center 5692 is at 2.372422 -4.670434 2.670024 ESP Fit Center 5693 is at 2.755031 -4.506899 2.670024 ESP Fit Center 5694 is at 3.102291 -4.277675 2.670024 ESP Fit Center 5695 is at 3.403041 -3.990128 2.670024 ESP Fit Center 5696 is at 3.647614 -3.653502 2.670024 ESP Fit Center 5697 is at 3.828150 -3.278615 2.670024 ESP Fit Center 5698 is at 3.938846 -2.877517 2.670024 ESP Fit Center 5699 is at 4.275003 -2.463099 2.371166 ESP Fit Center 5700 is at 4.241077 -2.042856 2.371166 ESP Fit Center 5701 is at 4.140179 -1.633496 2.371166 ESP Fit Center 5702 is at 3.974922 -1.245623 2.371166 ESP Fit Center 5703 is at 3.749585 -0.889282 2.371166 ESP Fit Center 5704 is at -0.001657 -4.492400 2.371166 ESP Fit Center 5705 is at 0.345321 -4.731902 2.371166 ESP Fit Center 5706 is at 0.726226 -4.912643 2.371166 ESP Fit Center 5707 is at 1.131190 -5.029943 2.371166 ESP Fit Center 5708 is at 1.549727 -5.080762 2.371166 ESP Fit Center 5709 is at 1.970996 -5.063786 2.371166 ESP Fit Center 5710 is at 2.384086 -4.979453 2.371166 ESP Fit Center 5711 is at 2.778299 -4.829947 2.371166 ESP Fit Center 5712 is at 3.143424 -4.619142 2.371166 ESP Fit Center 5713 is at 3.470006 -4.352496 2.371166 ESP Fit Center 5714 is at 3.749585 -4.036916 2.371166 ESP Fit Center 5715 is at 3.974922 -3.680575 2.371166 ESP Fit Center 5716 is at 4.140179 -3.292702 2.371166 ESP Fit Center 5717 is at 4.241077 -2.883343 2.371166 ESP Fit Center 5718 is at 4.535659 -2.463099 2.038463 ESP Fit Center 5719 is at 4.504963 -2.043703 2.038463 ESP Fit Center 5720 is at 4.413530 -1.633246 2.038463 ESP Fit Center 5721 is at 4.263308 -1.240476 2.038463 ESP Fit Center 5722 is at -0.344026 -4.536740 2.038463 ESP Fit Center 5723 is at -0.020797 -4.805734 2.038463 ESP Fit Center 5724 is at 0.338154 -5.024799 2.038463 ESP Fit Center 5725 is at 0.725176 -5.189265 2.038463 ESP Fit Center 5726 is at 1.132020 -5.295628 2.038463 ESP Fit Center 5727 is at 1.550015 -5.341621 2.038463 ESP Fit Center 5728 is at 1.970253 -5.326263 2.038463 ESP Fit Center 5729 is at 2.383775 -5.249881 2.038463 ESP Fit Center 5730 is at 2.781770 -5.114104 2.038463 ESP Fit Center 5731 is at 3.155754 -4.921826 2.038463 ESP Fit Center 5732 is at 3.497757 -4.677144 2.038463 ESP Fit Center 5733 is at 3.800489 -4.385273 2.038463 ESP Fit Center 5734 is at 4.057499 -4.052435 2.038463 ESP Fit Center 5735 is at 4.263308 -3.685723 2.038463 ESP Fit Center 5736 is at 4.413530 -3.292952 2.038463 ESP Fit Center 5737 is at 4.504963 -2.882495 2.038463 ESP Fit Center 5738 is at 4.754311 -2.463099 1.676767 ESP Fit Center 5739 is at 4.725446 -2.041106 1.676767 ESP Fit Center 5740 is at 4.639388 -1.626973 1.676767 ESP Fit Center 5741 is at 4.497741 -1.228416 1.676767 ESP Fit Center 5742 is at -0.460083 -4.728030 1.676767 ESP Fit Center 5743 is at -0.131973 -4.994967 1.676767 ESP Fit Center 5744 is at 0.229429 -5.214741 1.676767 ESP Fit Center 5745 is at 0.617391 -5.383256 1.676767 ESP Fit Center 5746 is at 1.024685 -5.497375 1.676767 ESP Fit Center 5747 is at 1.443725 -5.554971 1.676767 ESP Fit Center 5748 is at 1.866705 -5.554971 1.676767 ESP Fit Center 5749 is at 2.285745 -5.497375 1.676767 ESP Fit Center 5750 is at 2.693039 -5.383256 1.676767 ESP Fit Center 5751 is at 3.081001 -5.214741 1.676767 ESP Fit Center 5752 is at 3.442403 -4.994967 1.676767 ESP Fit Center 5753 is at 3.770513 -4.728030 1.676767 ESP Fit Center 5754 is at 4.059219 -4.418901 1.676767 ESP Fit Center 5755 is at 4.303143 -4.073340 1.676767 ESP Fit Center 5756 is at 4.497741 -3.697782 1.676767 ESP Fit Center 5757 is at 4.639388 -3.299225 1.676767 ESP Fit Center 5758 is at 4.725446 -2.885093 1.676767 ESP Fit Center 5759 is at 4.927772 -2.463099 1.291353 ESP Fit Center 5760 is at 4.900904 -2.044614 1.291353 ESP Fit Center 5761 is at 4.820743 -1.633000 1.291353 ESP Fit Center 5762 is at -0.544928 -4.885701 1.291353 ESP Fit Center 5763 is at -0.217069 -5.147159 1.291353 ESP Fit Center 5764 is at 0.141532 -5.364546 1.291353 ESP Fit Center 5765 is at 0.524988 -5.534290 1.291353 ESP Fit Center 5766 is at 0.927003 -5.653606 1.291353 ESP Fit Center 5767 is at 1.340974 -5.720534 1.291353 ESP Fit Center 5768 is at 1.760106 -5.733975 1.291353 ESP Fit Center 5769 is at 2.177515 -5.693708 1.291353 ESP Fit Center 5770 is at 2.586348 -5.600394 1.291353 ESP Fit Center 5771 is at 2.979892 -5.455566 1.291353 ESP Fit Center 5772 is at 3.351684 -5.261602 1.291353 ESP Fit Center 5773 is at 3.695621 -5.021687 1.291353 ESP Fit Center 5774 is at 4.006054 -4.739760 1.291353 ESP Fit Center 5775 is at 4.277887 -4.420450 1.291353 ESP Fit Center 5776 is at 4.506655 -4.069000 1.291353 ESP Fit Center 5777 is at 4.688603 -3.691182 1.291353 ESP Fit Center 5778 is at 4.820743 -3.293198 1.291353 ESP Fit Center 5779 is at 4.900904 -2.881584 1.291353 ESP Fit Center 5780 is at 5.053511 -2.463099 0.887841 ESP Fit Center 5781 is at 5.027754 -2.045488 0.887841 ESP Fit Center 5782 is at 4.950873 -1.634208 0.887841 ESP Fit Center 5783 is at -0.392716 -5.174998 0.887841 ESP Fit Center 5784 is at -0.043933 -5.406110 0.887841 ESP Fit Center 5785 is at 0.330607 -5.592609 0.887841 ESP Fit Center 5786 is at 0.725227 -5.731668 0.887841 ESP Fit Center 5787 is at 1.133945 -5.821178 0.887841 ESP Fit Center 5788 is at 1.550564 -5.859784 0.887841 ESP Fit Center 5789 is at 1.968770 -5.846899 0.887841 ESP Fit Center 5790 is at 2.382223 -5.782719 0.887841 ESP Fit Center 5791 is at 2.784655 -5.668217 0.887841 ESP Fit Center 5792 is at 3.169966 -5.505129 0.887841 ESP Fit Center 5793 is at 3.532315 -5.295927 0.887841 ESP Fit Center 5794 is at 3.866209 -5.043782 0.887841 ESP Fit Center 5795 is at 4.166586 -4.752517 0.887841 ESP Fit Center 5796 is at 4.428894 -4.426546 0.887841 ESP Fit Center 5797 is at 4.649156 -4.070811 0.887841 ESP Fit Center 5798 is at 4.824032 -3.690705 0.887841 ESP Fit Center 5799 is at 4.950873 -3.291990 0.887841 ESP Fit Center 5800 is at 5.027754 -2.880710 0.887841 ESP Fit Center 5801 is at 5.129696 -2.463099 0.472115 ESP Fit Center 5802 is at 5.104363 -2.044297 0.472115 ESP Fit Center 5803 is at 5.028734 -1.631601 0.472115 ESP Fit Center 5804 is at -0.648792 -5.063786 0.472115 ESP Fit Center 5805 is at -0.318515 -5.322541 0.472115 ESP Fit Center 5806 is at 0.040543 -5.539599 0.472115 ESP Fit Center 5807 is at 0.423147 -5.711795 0.472115 ESP Fit Center 5808 is at 0.823717 -5.836618 0.472115 ESP Fit Center 5809 is at 1.236413 -5.912247 0.472115 ESP Fit Center 5810 is at 1.655215 -5.937580 0.472115 ESP Fit Center 5811 is at 2.074018 -5.912247 0.472115 ESP Fit Center 5812 is at 2.486713 -5.836618 0.472115 ESP Fit Center 5813 is at 2.887283 -5.711795 0.472115 ESP Fit Center 5814 is at 3.269887 -5.539599 0.472115 ESP Fit Center 5815 is at 3.628945 -5.322541 0.472115 ESP Fit Center 5816 is at 3.959222 -5.063786 0.472115 ESP Fit Center 5817 is at 4.255902 -4.767106 0.472115 ESP Fit Center 5818 is at 4.514657 -4.436829 0.472115 ESP Fit Center 5819 is at 4.731715 -4.077771 0.472115 ESP Fit Center 5820 is at 4.903911 -3.695167 0.472115 ESP Fit Center 5821 is at 5.028734 -3.294597 0.472115 ESP Fit Center 5822 is at 5.104363 -2.881902 0.472115 ESP Fit Center 5823 is at 5.155215 -2.463099 0.050236 ESP Fit Center 5824 is at 5.130649 -2.049143 0.050236 ESP Fit Center 5825 is at 5.057295 -1.640998 0.050236 ESP Fit Center 5826 is at -0.856060 -4.901028 0.050236 ESP Fit Center 5827 is at -0.550092 -5.180933 0.050236 ESP Fit Center 5828 is at -0.213167 -5.422685 0.050236 ESP Fit Center 5829 is at 0.149987 -5.622892 0.050236 ESP Fit Center 5830 is at 0.534271 -5.778741 0.050236 ESP Fit Center 5831 is at 0.934290 -5.888047 0.050236 ESP Fit Center 5832 is at 1.344429 -5.949274 0.050236 ESP Fit Center 5833 is at 1.758932 -5.961562 0.050236 ESP Fit Center 5834 is at 2.171978 -5.924740 0.050236 ESP Fit Center 5835 is at 2.577770 -5.839324 0.050236 ESP Fit Center 5836 is at 2.970612 -5.706513 0.050236 ESP Fit Center 5837 is at 3.344988 -5.528171 0.050236 ESP Fit Center 5838 is at 3.695643 -5.306803 0.050236 ESP Fit Center 5839 is at 4.017656 -5.045516 0.050236 ESP Fit Center 5840 is at 4.306504 -4.747977 0.050236 ESP Fit Center 5841 is at 4.558135 -4.418363 0.050236 ESP Fit Center 5842 is at 4.769015 -4.061301 0.050236 ESP Fit Center 5843 is at 4.936184 -3.681805 0.050236 ESP Fit Center 5844 is at 5.057295 -3.285200 0.050236 ESP Fit Center 5845 is at 5.130649 -2.877055 0.050236 ESP Fit Center 5846 is at 5.129696 -2.463099 -0.371642 ESP Fit Center 5847 is at 5.104363 -2.044297 -0.371642 ESP Fit Center 5848 is at 5.028734 -1.631601 -0.371642 ESP Fit Center 5849 is at -0.945471 -4.767106 -0.371642 ESP Fit Center 5850 is at -0.648792 -5.063786 -0.371642 ESP Fit Center 5851 is at -0.318515 -5.322541 -0.371642 ESP Fit Center 5852 is at 0.040543 -5.539599 -0.371642 ESP Fit Center 5853 is at 0.423147 -5.711795 -0.371642 ESP Fit Center 5854 is at 0.823717 -5.836618 -0.371642 ESP Fit Center 5855 is at 1.236413 -5.912247 -0.371642 ESP Fit Center 5856 is at 1.655215 -5.937580 -0.371642 ESP Fit Center 5857 is at 2.074018 -5.912247 -0.371642 ESP Fit Center 5858 is at 2.486713 -5.836618 -0.371642 ESP Fit Center 5859 is at 2.887283 -5.711795 -0.371642 ESP Fit Center 5860 is at 3.269887 -5.539599 -0.371642 ESP Fit Center 5861 is at 3.628945 -5.322541 -0.371642 ESP Fit Center 5862 is at 3.959222 -5.063786 -0.371642 ESP Fit Center 5863 is at 4.255902 -4.767106 -0.371642 ESP Fit Center 5864 is at 4.514657 -4.436829 -0.371642 ESP Fit Center 5865 is at 4.731715 -4.077771 -0.371642 ESP Fit Center 5866 is at 4.903911 -3.695167 -0.371642 ESP Fit Center 5867 is at 5.028734 -3.294597 -0.371642 ESP Fit Center 5868 is at 5.104363 -2.881902 -0.371642 ESP Fit Center 5869 is at 5.053511 -2.463099 -0.787369 ESP Fit Center 5870 is at 5.027754 -2.045488 -0.787369 ESP Fit Center 5871 is at 4.950873 -1.634208 -0.787369 ESP Fit Center 5872 is at -0.710454 -4.902777 -0.787369 ESP Fit Center 5873 is at -0.392716 -5.174998 -0.787369 ESP Fit Center 5874 is at -0.043933 -5.406110 -0.787369 ESP Fit Center 5875 is at 0.330607 -5.592609 -0.787369 ESP Fit Center 5876 is at 0.725227 -5.731668 -0.787369 ESP Fit Center 5877 is at 1.133945 -5.821178 -0.787369 ESP Fit Center 5878 is at 1.550564 -5.859784 -0.787369 ESP Fit Center 5879 is at 1.968770 -5.846899 -0.787369 ESP Fit Center 5880 is at 2.382223 -5.782719 -0.787369 ESP Fit Center 5881 is at 2.784655 -5.668217 -0.787369 ESP Fit Center 5882 is at 3.169966 -5.505129 -0.787369 ESP Fit Center 5883 is at 3.532315 -5.295927 -0.787369 ESP Fit Center 5884 is at 3.866209 -5.043782 -0.787369 ESP Fit Center 5885 is at 4.166586 -4.752517 -0.787369 ESP Fit Center 5886 is at 4.428894 -4.426546 -0.787369 ESP Fit Center 5887 is at 4.649156 -4.070811 -0.787369 ESP Fit Center 5888 is at 4.824032 -3.690705 -0.787369 ESP Fit Center 5889 is at 4.950873 -3.291990 -0.787369 ESP Fit Center 5890 is at 5.027754 -2.880710 -0.787369 ESP Fit Center 5891 is at 4.927772 -2.463099 -1.190881 ESP Fit Center 5892 is at 4.900904 -2.044614 -1.190881 ESP Fit Center 5893 is at 4.820743 -1.633000 -1.190881 ESP Fit Center 5894 is at 4.688603 -1.235017 -1.190881 ESP Fit Center 5895 is at -0.544928 -4.885701 -1.190881 ESP Fit Center 5896 is at -0.217069 -5.147159 -1.190881 ESP Fit Center 5897 is at 0.141532 -5.364546 -1.190881 ESP Fit Center 5898 is at 0.524988 -5.534290 -1.190881 ESP Fit Center 5899 is at 0.927003 -5.653606 -1.190881 ESP Fit Center 5900 is at 1.340974 -5.720534 -1.190881 ESP Fit Center 5901 is at 1.760106 -5.733975 -1.190881 ESP Fit Center 5902 is at 2.177515 -5.693708 -1.190881 ESP Fit Center 5903 is at 2.586348 -5.600394 -1.190881 ESP Fit Center 5904 is at 2.979892 -5.455566 -1.190881 ESP Fit Center 5905 is at 3.351684 -5.261602 -1.190881 ESP Fit Center 5906 is at 3.695621 -5.021687 -1.190881 ESP Fit Center 5907 is at 4.006054 -4.739760 -1.190881 ESP Fit Center 5908 is at 4.277887 -4.420450 -1.190881 ESP Fit Center 5909 is at 4.506655 -4.069000 -1.190881 ESP Fit Center 5910 is at 4.688603 -3.691182 -1.190881 ESP Fit Center 5911 is at 4.820743 -3.293198 -1.190881 ESP Fit Center 5912 is at 4.900904 -2.881584 -1.190881 ESP Fit Center 5913 is at 4.754311 -2.463099 -1.576295 ESP Fit Center 5914 is at 4.725446 -2.041106 -1.576295 ESP Fit Center 5915 is at 4.639388 -1.626973 -1.576295 ESP Fit Center 5916 is at 4.497741 -1.228416 -1.576295 ESP Fit Center 5917 is at -0.460083 -4.728030 -1.576295 ESP Fit Center 5918 is at -0.131973 -4.994967 -1.576295 ESP Fit Center 5919 is at 0.229429 -5.214741 -1.576295 ESP Fit Center 5920 is at 0.617391 -5.383256 -1.576295 ESP Fit Center 5921 is at 1.024685 -5.497375 -1.576295 ESP Fit Center 5922 is at 1.443725 -5.554971 -1.576295 ESP Fit Center 5923 is at 1.866705 -5.554971 -1.576295 ESP Fit Center 5924 is at 2.285745 -5.497375 -1.576295 ESP Fit Center 5925 is at 2.693039 -5.383256 -1.576295 ESP Fit Center 5926 is at 3.081001 -5.214741 -1.576295 ESP Fit Center 5927 is at 3.442403 -4.994967 -1.576295 ESP Fit Center 5928 is at 3.770513 -4.728030 -1.576295 ESP Fit Center 5929 is at 4.059219 -4.418901 -1.576295 ESP Fit Center 5930 is at 4.303143 -4.073340 -1.576295 ESP Fit Center 5931 is at 4.497741 -3.697782 -1.576295 ESP Fit Center 5932 is at 4.639388 -3.299225 -1.576295 ESP Fit Center 5933 is at 4.725446 -2.885093 -1.576295 ESP Fit Center 5934 is at 4.535659 -2.463099 -1.937990 ESP Fit Center 5935 is at 4.504963 -2.043703 -1.937990 ESP Fit Center 5936 is at 4.413530 -1.633246 -1.937990 ESP Fit Center 5937 is at 4.263308 -1.240476 -1.937990 ESP Fit Center 5938 is at 4.057499 -0.873763 -1.937990 ESP Fit Center 5939 is at -0.344026 -4.536740 -1.937990 ESP Fit Center 5940 is at -0.020797 -4.805734 -1.937990 ESP Fit Center 5941 is at 0.338154 -5.024799 -1.937990 ESP Fit Center 5942 is at 0.725176 -5.189265 -1.937990 ESP Fit Center 5943 is at 1.132020 -5.295628 -1.937990 ESP Fit Center 5944 is at 1.550015 -5.341621 -1.937990 ESP Fit Center 5945 is at 1.970253 -5.326263 -1.937990 ESP Fit Center 5946 is at 2.383775 -5.249881 -1.937990 ESP Fit Center 5947 is at 2.781770 -5.114104 -1.937990 ESP Fit Center 5948 is at 3.155754 -4.921826 -1.937990 ESP Fit Center 5949 is at 3.497757 -4.677144 -1.937990 ESP Fit Center 5950 is at 3.800489 -4.385273 -1.937990 ESP Fit Center 5951 is at 4.057499 -4.052435 -1.937990 ESP Fit Center 5952 is at 4.263308 -3.685723 -1.937990 ESP Fit Center 5953 is at 4.413530 -3.292952 -1.937990 ESP Fit Center 5954 is at 4.504963 -2.882495 -1.937990 ESP Fit Center 5955 is at 4.275003 -2.463099 -2.270693 ESP Fit Center 5956 is at 4.241077 -2.042856 -2.270693 ESP Fit Center 5957 is at 4.140179 -1.633496 -2.270693 ESP Fit Center 5958 is at 3.974922 -1.245623 -2.270693 ESP Fit Center 5959 is at 3.749585 -0.889282 -2.270693 ESP Fit Center 5960 is at -0.305724 -4.200340 -2.270693 ESP Fit Center 5961 is at -0.001657 -4.492400 -2.270693 ESP Fit Center 5962 is at 0.345321 -4.731902 -2.270693 ESP Fit Center 5963 is at 0.726226 -4.912643 -2.270693 ESP Fit Center 5964 is at 1.131190 -5.029943 -2.270693 ESP Fit Center 5965 is at 1.549727 -5.080762 -2.270693 ESP Fit Center 5966 is at 1.970996 -5.063786 -2.270693 ESP Fit Center 5967 is at 2.384086 -4.979453 -2.270693 ESP Fit Center 5968 is at 2.778299 -4.829947 -2.270693 ESP Fit Center 5969 is at 3.143424 -4.619142 -2.270693 ESP Fit Center 5970 is at 3.470006 -4.352496 -2.270693 ESP Fit Center 5971 is at 3.749585 -4.036916 -2.270693 ESP Fit Center 5972 is at 3.974922 -3.680575 -2.270693 ESP Fit Center 5973 is at 4.140179 -3.292702 -2.270693 ESP Fit Center 5974 is at 4.241077 -2.883343 -2.270693 ESP Fit Center 5975 is at 3.976144 -2.463099 -2.569551 ESP Fit Center 5976 is at 3.938846 -2.048681 -2.569551 ESP Fit Center 5977 is at 3.828150 -1.647583 -2.569551 ESP Fit Center 5978 is at 3.647614 -1.272696 -2.569551 ESP Fit Center 5979 is at 3.403041 -0.936070 -2.569551 ESP Fit Center 5980 is at 0.051308 -4.140655 -2.569551 ESP Fit Center 5981 is at 0.376622 -4.400085 -2.569551 ESP Fit Center 5982 is at 0.743032 -4.597258 -2.569551 ESP Fit Center 5983 is at 1.138760 -4.725838 -2.569551 ESP Fit Center 5984 is at 1.551087 -4.781691 -2.569551 ESP Fit Center 5985 is at 1.966761 -4.763023 -2.569551 ESP Fit Center 5986 is at 2.372422 -4.670434 -2.569551 ESP Fit Center 5987 is at 2.755031 -4.506899 -2.569551 ESP Fit Center 5988 is at 3.102291 -4.277675 -2.569551 ESP Fit Center 5989 is at 3.403041 -3.990128 -2.569551 ESP Fit Center 5990 is at 3.647614 -3.653502 -2.569551 ESP Fit Center 5991 is at 3.828150 -3.278615 -2.569551 ESP Fit Center 5992 is at 3.938846 -2.877517 -2.569551 ESP Fit Center 5993 is at 3.643442 -2.463099 -2.830207 ESP Fit Center 5994 is at 3.599994 -2.049724 -2.830207 ESP Fit Center 5995 is at 3.471550 -1.654415 -2.830207 ESP Fit Center 5996 is at 3.263724 -1.294449 -2.830207 ESP Fit Center 5997 is at 2.985598 -0.985559 -2.830207 ESP Fit Center 5998 is at 2.649328 -0.741244 -2.830207 ESP Fit Center 5999 is at 2.269611 -0.572183 -2.830207 ESP Fit Center 6000 is at 0.046706 -3.631749 -2.830207 ESP Fit Center 6001 is at 0.324832 -3.940639 -2.830207 ESP Fit Center 6002 is at 0.661102 -4.184954 -2.830207 ESP Fit Center 6003 is at 1.040819 -4.354015 -2.830207 ESP Fit Center 6004 is at 1.447389 -4.440434 -2.830207 ESP Fit Center 6005 is at 1.863041 -4.440434 -2.830207 ESP Fit Center 6006 is at 2.269611 -4.354015 -2.830207 ESP Fit Center 6007 is at 2.649328 -4.184954 -2.830207 ESP Fit Center 6008 is at 2.985598 -3.940639 -2.830207 ESP Fit Center 6009 is at 3.263724 -3.631749 -2.830207 ESP Fit Center 6010 is at 3.471550 -3.271784 -2.830207 ESP Fit Center 6011 is at 3.599994 -2.876475 -2.830207 ESP Fit Center 6012 is at 3.281746 -2.463099 -3.048860 ESP Fit Center 6013 is at 3.226324 -2.042122 -3.048860 ESP Fit Center 6014 is at 3.063832 -1.649834 -3.048860 ESP Fit Center 6015 is at 2.805346 -1.312968 -3.048860 ESP Fit Center 6016 is at 2.468481 -1.054482 -3.048860 ESP Fit Center 6017 is at 2.076192 -0.891991 -3.048860 ESP Fit Center 6018 is at 1.655215 -0.836568 -3.048860 ESP Fit Center 6019 is at 1.234238 -0.891991 -3.048860 ESP Fit Center 6020 is at 0.841950 -1.054482 -3.048860 ESP Fit Center 6021 is at 0.505084 -1.312968 -3.048860 ESP Fit Center 6022 is at 0.246598 -1.649834 -3.048860 ESP Fit Center 6023 is at 0.084107 -2.884076 -3.048860 ESP Fit 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Center 6134 is at 0.939864 3.772450 -2.496999 ESP Fit Center 6135 is at 0.535861 3.838683 -2.496999 ESP Fit Center 6136 is at 0.127066 3.816518 -2.496999 ESP Fit Center 6137 is at -0.267407 3.706993 -2.496999 ESP Fit Center 6138 is at -0.629113 3.515229 -2.496999 ESP Fit Center 6139 is at 1.497293 3.087387 -2.733124 ESP Fit Center 6140 is at 1.150489 3.332188 -2.733124 ESP Fit Center 6141 is at 0.750499 3.474345 -2.733124 ESP Fit Center 6142 is at 0.326989 3.503313 -2.733124 ESP Fit Center 6143 is at -0.088632 3.416946 -2.733124 ESP Fit Center 6144 is at -0.465539 3.221649 -2.733124 ESP Fit Center 6145 is at 1.556486 2.356979 -2.921499 ESP Fit Center 6146 is at 1.348941 2.716457 -2.921499 ESP Fit Center 6147 is at 1.030964 2.983272 -2.921499 ESP Fit Center 6148 is at 0.640907 3.125241 -2.921499 ESP Fit Center 6149 is at 0.225817 3.125241 -2.921499 ESP Fit Center 6150 is at -0.164240 2.983272 -2.921499 ESP Fit Center 6151 is at 1.030964 0.913119 -2.921499 ESP Fit Center 6152 is at 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1.488448 ESP Fit Center 6261 is at -0.831390 -5.022250 1.488448 ESP Fit Center 6262 is at -4.314936 -3.357684 1.071693 ESP Fit Center 6263 is at -4.206659 -3.761777 1.071693 ESP Fit Center 6264 is at -4.029858 -4.140929 1.071693 ESP Fit Center 6265 is at -3.789904 -4.483619 1.071693 ESP Fit Center 6266 is at -3.494087 -4.779435 1.071693 ESP Fit Center 6267 is at -3.151397 -5.019390 1.071693 ESP Fit Center 6268 is at -2.772245 -5.196191 1.071693 ESP Fit Center 6269 is at -2.368153 -5.304467 1.071693 ESP Fit Center 6270 is at -1.951397 -5.340929 1.071693 ESP Fit Center 6271 is at -1.534641 -5.304467 1.071693 ESP Fit Center 6272 is at -1.130549 -5.196191 1.071693 ESP Fit Center 6273 is at -0.751397 -5.019390 1.071693 ESP Fit Center 6274 is at -4.229760 -3.569717 0.654937 ESP Fit Center 6275 is at -4.080872 -3.966430 0.654937 ESP Fit Center 6276 is at -3.863540 -4.330182 0.654937 ESP Fit Center 6277 is at -3.584750 -4.649282 0.654937 ESP Fit Center 6278 is at -3.253463 -4.913475 0.654937 ESP Fit Center 6279 is at -2.880327 -5.114268 0.654937 ESP Fit Center 6280 is at -2.477334 -5.245208 0.654937 ESP Fit Center 6281 is at -2.057437 -5.302087 0.654937 ESP Fit Center 6282 is at -1.634131 -5.283077 0.654937 ESP Fit Center 6283 is at -1.221023 -5.188787 0.654937 ESP Fit Center 6284 is at -0.831390 -5.022250 0.654937 ESP Fit Center 6285 is at -4.115305 -3.576309 0.250844 ESP Fit Center 6286 is at -3.955954 -3.974350 0.250844 ESP Fit Center 6287 is at -3.724153 -4.335039 0.250844 ESP Fit Center 6288 is at -3.428280 -4.645342 0.250844 ESP Fit Center 6289 is at -3.079028 -4.894043 0.250844 ESP Fit Center 6290 is at -2.689021 -5.072153 0.250844 ESP Fit Center 6291 is at -2.272354 -5.173236 0.250844 ESP Fit Center 6292 is at -1.844087 -5.193636 0.250844 ESP Fit Center 6293 is at -1.419699 -5.132619 0.250844 ESP Fit Center 6294 is at -1.014527 -4.992387 0.250844 ESP Fit Center 6295 is at -3.768692 -3.949610 -0.128307 ESP Fit Center 6296 is at -3.528446 -4.294781 -0.128307 ESP Fit Center 6297 is at -3.223635 -4.584525 -0.128307 ESP Fit Center 6298 is at -2.866739 -4.806980 -0.128307 ESP Fit Center 6299 is at -2.472369 -4.953039 -0.128307 ESP Fit Center 6300 is at -2.056669 -5.016722 -0.128307 ESP Fit Center 6301 is at -1.636660 -4.995421 -0.128307 ESP Fit Center 6302 is at -1.229537 -4.890010 -0.128307 ESP Fit Center 6303 is at -3.487447 -3.951205 -0.470998 ESP Fit Center 6304 is at -3.213057 -4.278210 -0.470998 ESP Fit Center 6305 is at -2.870650 -4.533122 -0.470998 ESP Fit Center 6306 is at -2.478687 -4.702199 -0.470998 ESP Fit Center 6307 is at -2.058297 -4.776325 -0.470998 ESP Fit Center 6308 is at -1.632144 -4.751504 -0.470998 ESP Fit Center 6309 is at -1.223202 -4.629075 -0.470998 ESP Fit Center 6310 is at -2.841036 -4.201260 -0.766814 ESP Fit Center 6311 is at -2.468013 -4.394545 -0.766814 ESP Fit Center 6312 is at -2.056674 -4.480023 -0.766814 ESP Fit Center 6313 is at -0.968957 -1.726764 4.275967 ESP Fit Center 6314 is at -0.552202 -1.726764 4.239506 ESP Fit Center 6315 is at -0.760580 -1.365843 4.239506 ESP Fit Center 6316 is at -1.177335 -1.365843 4.239506 ESP Fit Center 6317 is at -1.385713 -1.726764 4.239506 ESP Fit Center 6318 is at -1.177335 -2.087684 4.239506 ESP Fit Center 6319 is at -0.760580 -2.087684 4.239506 ESP Fit Center 6320 is at -0.148109 -1.726764 4.131229 ESP Fit Center 6321 is at -0.258082 -1.316339 4.131229 ESP Fit Center 6322 is at -0.558533 -1.015888 4.131229 ESP Fit Center 6323 is at -0.968957 -0.905915 4.131229 ESP Fit Center 6324 is at -1.379382 -1.015888 4.131229 ESP Fit Center 6325 is at -1.679833 -1.316339 4.131229 ESP Fit Center 6326 is at -1.789806 -1.726764 4.131229 ESP Fit Center 6327 is at -1.679833 -2.137188 4.131229 ESP Fit Center 6328 is at -1.379382 -2.437639 4.131229 ESP Fit Center 6329 is at -0.968957 -2.547612 4.131229 ESP Fit Center 6330 is at -0.558533 -2.437639 4.131229 ESP Fit Center 6331 is at -0.258082 -2.137188 4.131229 ESP Fit Center 6332 is at 0.231043 -1.726764 3.954428 ESP Fit Center 6333 is at 0.158674 -1.316339 3.954428 ESP Fit Center 6334 is at -0.049704 -0.955418 3.954428 ESP Fit Center 6335 is at -0.368957 -0.687533 3.954428 ESP Fit Center 6336 is at -0.760580 -0.544994 3.954428 ESP Fit Center 6337 is at -1.177335 -0.544994 3.954428 ESP Fit Center 6338 is at -1.568957 -0.687533 3.954428 ESP Fit Center 6339 is at -1.888211 -0.955418 3.954428 ESP Fit Center 6340 is at -1.568957 -2.765994 3.954428 ESP Fit Center 6341 is at -1.177335 -2.908533 3.954428 ESP Fit Center 6342 is at -0.760580 -2.908533 3.954428 ESP Fit Center 6343 is at -0.368957 -2.765994 3.954428 ESP Fit Center 6344 is at -0.049704 -2.498109 3.954428 ESP Fit Center 6345 is at 0.158674 -2.137188 3.954428 ESP Fit Center 6346 is at 0.573733 -1.726764 3.714474 ESP Fit Center 6347 is at 0.516526 -1.310551 3.714474 ESP Fit Center 6348 is at 0.349147 -0.925206 3.714474 ESP Fit Center 6349 is at 0.084011 -0.599310 3.714474 ESP Fit Center 6350 is at -0.259220 -0.357032 3.714474 ESP Fit Center 6351 is 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Center 6388 is at 4.399655 0.805131 1.995800 ESP Fit Center 6389 is at 4.399655 -0.797983 1.995800 ESP Fit Center 6390 is at 4.567034 -0.412639 1.995800 ESP Fit Center 6391 is at 4.920057 0.003574 1.699984 ESP Fit Center 6392 is at 4.870500 0.427562 1.699984 ESP Fit Center 6393 is at 4.724500 0.828694 1.699984 ESP Fit Center 6394 is at 4.489929 -1.178196 1.699984 ESP Fit Center 6395 is at 4.724500 -0.821547 1.699984 ESP Fit Center 6396 is at 4.870500 -0.420415 1.699984 ESP Fit Center 6397 is at 5.160012 0.003574 1.357293 ESP Fit Center 6398 is at 5.117465 0.421965 1.357293 ESP Fit Center 6399 is at 4.991569 0.823227 1.357293 ESP Fit Center 6400 is at 4.787475 -1.183785 1.357293 ESP Fit Center 6401 is at 4.991569 -0.816080 1.357293 ESP Fit Center 6402 is at 5.117465 -0.414817 1.357293 ESP Fit Center 6403 is at 5.336813 0.003574 0.978142 ESP Fit Center 6404 is at 5.296057 0.430385 0.978142 ESP Fit Center 6405 is at 5.175264 0.841770 0.978142 ESP Fit Center 6406 is at 4.978798 -1.215713 0.978142 ESP Fit Center 6407 is at 5.175264 -0.834623 0.978142 ESP Fit Center 6408 is at 5.296057 -0.423238 0.978142 ESP Fit Center 6409 is at 5.445089 0.003574 0.574049 ESP Fit Center 6410 is at 5.407106 0.425600 0.574049 ESP Fit Center 6411 is at 5.294378 0.834062 0.574049 ESP Fit Center 6412 is at 5.110528 -1.208684 0.574049 ESP Fit Center 6413 is at 5.294378 -0.826914 0.574049 ESP Fit Center 6414 is at 5.407106 -0.418452 0.574049 ESP Fit Center 6415 is at 5.481551 0.003574 0.157293 ESP Fit Center 6416 is at 5.445089 0.420329 0.157293 ESP Fit Center 6417 is at 5.336813 0.824422 0.157293 ESP Fit Center 6418 is at 5.160012 -1.196426 0.157293 ESP Fit Center 6419 is at 5.336813 -0.817275 0.157293 ESP Fit Center 6420 is at 5.445089 -0.413182 0.157293 ESP Fit Center 6421 is at 5.445089 0.003574 -0.259462 ESP Fit Center 6422 is at 5.407106 0.425600 -0.259462 ESP Fit Center 6423 is at 5.294378 0.834062 -0.259462 ESP Fit Center 6424 is at 5.110528 -1.208684 -0.259462 ESP Fit Center 6425 is 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-0.420415 -1.385397 ESP Fit Center 6444 is at 4.624241 0.003574 -1.681213 ESP Fit Center 6445 is at 4.567034 0.419786 -1.681213 ESP Fit Center 6446 is at 4.399655 -0.797983 -1.681213 ESP Fit Center 6447 is at 4.567034 -0.412639 -1.681213 ESP Fit Center 6448 is at -4.901036 1.155822 -1.031651 ESP Fit Center 6449 is at -4.730093 1.975343 -1.425922 ESP Fit Center 6450 is at -4.790180 1.567057 -1.425922 ESP Fit Center 6451 is at -4.790180 1.154373 -1.425922 ESP Fit Center 6452 is at -4.504226 2.183830 -1.801478 ESP Fit Center 6453 is at -4.601800 1.777402 -1.801478 ESP Fit Center 6454 is at -4.634594 1.360715 -1.801478 ESP Fit Center 6455 is at -4.601800 0.944027 -1.801478 ESP Fit Center 6456 is at -4.413019 1.568566 -2.151324 ESP Fit Center 6457 is at -4.413019 1.152863 -2.151324 ESP Fit Center 6458 is at -4.342764 0.743139 -2.151324 ESP Fit Center 6459 is at -4.153518 1.152304 -2.468942 ESP Fit Center 6460 is at -4.074634 0.743014 -2.468942 ESP Fit Center 6461 is at -3.765096 0.756193 -2.748417 ESP Fit Center 6462 is at -3.400643 0.739706 -2.984541 ESP Fit Center 6463 is at -1.055360 0.592453 -3.172917 ESP Fit Center 6464 is at -1.566243 0.659762 -3.310035 ESP Fit Center 6465 is at 0.916449 4.322080 1.623169 ESP Fit Center 6466 is at 0.520580 4.462771 1.623169 ESP Fit Center 6467 is at 0.101434 4.491442 1.623169 ESP Fit Center 6468 is at 0.934906 4.640494 1.327353 ESP Fit Center 6469 is at 0.525964 4.762924 1.327353 ESP Fit Center 6470 is at 0.099811 4.787744 1.327353 ESP Fit Center 6471 is at 1.306142 4.716222 0.984663 ESP Fit Center 6472 is at 0.928571 4.901429 0.984663 ESP Fit Center 6473 is at 0.521447 5.006841 0.984663 ESP Fit Center 6474 is at 0.101438 5.028141 0.984663 ESP Fit Center 6475 is at 1.143581 5.003807 0.605511 ESP Fit Center 6476 is at 0.738409 5.144038 0.605511 ESP Fit Center 6477 is at 0.314020 5.205056 0.605511 ESP Fit Center 6478 is at -0.114247 5.184655 0.605511 ESP Fit Center 6479 is at 1.326718 5.033670 0.201418 ESP Fit Center 6480 is at 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-1.036186 ESP Fit Center 6499 is at 0.738409 5.144038 -1.036186 ESP Fit Center 6500 is at 0.314020 5.205056 -1.036186 ESP Fit Center 6501 is at -0.114247 5.184655 -1.036186 ESP Fit Center 6502 is at -0.530913 5.083573 -1.036186 ESP Fit Center 6503 is at -0.920920 4.905462 -1.036186 ESP Fit Center 6504 is at -1.270172 4.656762 -1.036186 ESP Fit Center 6505 is at 1.306142 4.716222 -1.415337 ESP Fit Center 6506 is at 0.928571 4.901429 -1.415337 ESP Fit Center 6507 is at 0.521447 5.006841 -1.415337 ESP Fit Center 6508 is at 0.101438 5.028141 -1.415337 ESP Fit Center 6509 is at -0.314261 4.964459 -1.415337 ESP Fit Center 6510 is at -0.708631 4.818400 -1.415337 ESP Fit Center 6511 is at -1.065528 4.595945 -1.415337 ESP Fit Center 6512 is at -1.370338 4.306200 -1.415337 ESP Fit Center 6513 is at 1.304591 4.427057 -1.758028 ESP Fit Center 6514 is at 0.934906 4.640494 -1.758028 ESP Fit Center 6515 is at 0.525964 4.762924 -1.758028 ESP Fit Center 6516 is at 0.099811 4.787744 -1.758028 ESP Fit Center 6517 is at -0.320579 4.713618 -1.758028 ESP Fit Center 6518 is at -0.712543 4.544541 -1.758028 ESP Fit Center 6519 is at -1.054949 4.289629 -1.758028 ESP Fit Center 6520 is at 0.916449 4.322080 -2.053844 ESP Fit Center 6521 is at 0.520580 4.462771 -2.053844 ESP Fit Center 6522 is at 0.101434 4.491442 -2.053844 ESP Fit Center 6523 is at -0.309905 4.405965 -2.053844 ESP Fit Center 6524 is at -0.682928 4.212680 -2.053844 ESP Fit Center 6525 is at 0.415089 4.134117 -2.293798 ESP Fit Center 6526 is at -0.001667 4.134117 -2.293798 ESP Fit Center 6527 is at -0.393289 3.991578 -2.293798 ESP Fit Center 6528 is at -2.998718 -0.602274 3.565495 ESP Fit Center 6529 is at -3.299169 -0.902726 3.565495 ESP Fit Center 6530 is at -3.409142 -1.313150 3.565495 ESP Fit Center 6531 is at -2.796671 -0.131380 3.388694 ESP Fit Center 6532 is at -3.188294 -0.273919 3.388694 ESP Fit Center 6533 is at -3.507547 -0.541805 3.388694 ESP Fit Center 6534 is at -3.715925 -0.902726 3.388694 ESP Fit Center 6535 is 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-1.102875 2.510233 ESP Fit Center 6554 is at -4.656091 -1.523424 2.510233 ESP Fit Center 6555 is at -4.571435 -1.935364 2.510233 ESP Fit Center 6556 is at -4.405589 -2.321831 2.510233 ESP Fit Center 6557 is at -4.361050 0.080961 2.131081 ESP Fit Center 6558 is at -4.592851 -0.279729 2.131081 ESP Fit Center 6559 is at -4.752202 -0.677769 2.131081 ESP Fit Center 6560 is at -4.833344 -1.098773 2.131081 ESP Fit Center 6561 is at -4.833344 -1.527526 2.131081 ESP Fit Center 6562 is at -4.752202 -1.948531 2.131081 ESP Fit Center 6563 is at -4.592851 -2.346571 2.131081 ESP Fit Center 6564 is at -4.500437 0.076103 1.726989 ESP Fit Center 6565 is at -4.717768 -0.287649 1.726989 ESP Fit Center 6566 is at -4.866657 -0.684361 1.726989 ESP Fit Center 6567 is at -4.942317 -1.101284 1.726989 ESP Fit Center 6568 is at -4.942317 -1.525016 1.726989 ESP Fit Center 6569 is at -4.866657 -1.941938 1.726989 ESP Fit Center 6570 is at -4.717768 -2.338651 1.726989 ESP Fit Center 6571 is at -4.666755 -0.113150 1.310233 ESP Fit Center 6572 is at -4.843556 -0.492301 1.310233 ESP Fit Center 6573 is at -4.951832 -0.896394 1.310233 ESP Fit Center 6574 is at -4.988294 -1.313150 1.310233 ESP Fit Center 6575 is at -4.951832 -1.729905 1.310233 ESP Fit Center 6576 is at -4.843556 -2.133998 1.310233 ESP Fit Center 6577 is at -4.666755 -2.513150 1.310233 ESP Fit Center 6578 is at -4.717768 -0.287649 0.893477 ESP Fit Center 6579 is at -4.866657 -0.684361 0.893477 ESP Fit Center 6580 is at -4.942317 -1.101284 0.893477 ESP Fit Center 6581 is at -4.942317 -1.525016 0.893477 ESP Fit Center 6582 is at -4.866657 -1.941938 0.893477 ESP Fit Center 6583 is at -4.717768 -2.338651 0.893477 ESP Fit Center 6584 is at -4.752202 -0.677769 0.489385 ESP Fit Center 6585 is at -4.833344 -1.098773 0.489385 ESP Fit Center 6586 is at -4.833344 -1.527526 0.489385 ESP Fit Center 6587 is at -4.752202 -1.948531 0.489385 ESP Fit Center 6588 is at -4.819048 -1.434821 0.412861 ESP Fit Center 6589 is at -4.819048 -1.861696 0.412861 ESP Fit Center 6590 is at -4.720604 -2.277065 0.412861 ESP Fit Center 6591 is at -4.529023 -2.658535 0.412861 ESP Fit Center 6592 is at -4.976114 -1.026044 0.070170 ESP Fit Center 6593 is at -5.060770 -1.437984 0.070170 ESP Fit Center 6594 is at -5.060770 -1.858533 0.070170 ESP Fit Center 6595 is at -4.976114 -2.270473 0.070170 ESP Fit Center 6596 is at -4.810268 -2.656940 0.070170 ESP Fit Center 6597 is at -4.570022 -3.002111 0.070170 ESP Fit Center 6598 is at -4.265211 -3.291855 0.070170 ESP Fit Center 6599 is at -4.997530 -0.614838 -0.308981 ESP Fit Center 6600 is at -5.156881 -1.012878 -0.308981 ESP Fit Center 6601 is at -5.238023 -1.433882 -0.308981 ESP Fit Center 6602 is at -5.238023 -1.862635 -0.308981 ESP Fit Center 6603 is at -5.156881 -2.283639 -0.308981 ESP Fit Center 6604 is at -4.997530 -2.681680 -0.308981 ESP Fit Center 6605 is at -4.765729 -3.042369 -0.308981 ESP Fit Center 6606 is at -4.469856 -3.352672 -0.308981 ESP Fit Center 6607 is at -4.120604 -3.601373 -0.308981 ESP Fit Center 6608 is at -3.730597 -3.779483 -0.308981 ESP Fit Center 6609 is at -5.122448 -0.622758 -0.713074 ESP Fit Center 6610 is at -5.271337 -1.019470 -0.713074 ESP Fit Center 6611 is at -5.346997 -1.436393 -0.713074 ESP Fit Center 6612 is at -5.346997 -1.860125 -0.713074 ESP Fit Center 6613 is at -5.271337 -2.277047 -0.713074 ESP Fit Center 6614 is at -5.122448 -2.673760 -0.713074 ESP Fit Center 6615 is at -4.905116 -3.037512 -0.713074 ESP Fit Center 6616 is at -4.626326 -3.356612 -0.713074 ESP Fit Center 6617 is at -4.295039 -3.620805 -0.713074 ESP Fit Center 6618 is at -3.921903 -3.821598 -0.713074 ESP Fit Center 6619 is at -3.518910 -3.952538 -0.713074 ESP Fit Center 6620 is at -5.071434 -0.448259 -1.129830 ESP Fit Center 6621 is at -5.248235 -0.827410 -1.129830 ESP Fit Center 6622 is at -5.356512 -1.231503 -1.129830 ESP Fit Center 6623 is at -5.392973 -1.648259 -1.129830 ESP Fit Center 6624 is at -5.356512 -2.065014 -1.129830 ESP Fit Center 6625 is at -5.248235 -2.469107 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ESP Fit Center 6824 is at -1.889485 1.571331 -3.703425 ESP Fit Center 6825 is at -2.097863 1.932252 -3.739887 ESP Fit Center 6826 is at -2.422971 3.023144 3.667946 ESP Fit Center 6827 is at -2.827666 2.914706 3.667946 ESP Fit Center 6828 is at -1.507392 2.982015 3.530828 ESP Fit Center 6829 is at -1.825370 3.248830 3.530828 ESP Fit Center 6830 is at -2.215426 3.390799 3.530828 ESP Fit Center 6831 is at -2.630516 3.390799 3.530828 ESP Fit Center 6832 is at -3.020573 3.248830 3.530828 ESP Fit Center 6833 is at -3.338550 2.982015 3.530828 ESP Fit Center 6834 is at -3.546095 2.622537 3.530828 ESP Fit Center 6835 is at -1.091143 3.023656 3.342452 ESP Fit Center 6836 is at -1.359040 3.352945 3.342452 ESP Fit Center 6837 is at -1.705844 3.597746 3.342452 ESP Fit Center 6838 is at -2.105834 3.739903 3.342452 ESP Fit Center 6839 is at -2.529344 3.768872 3.342452 ESP Fit Center 6840 is at -2.944965 3.682504 3.342452 ESP Fit Center 6841 is at -3.321873 3.487207 3.342452 ESP Fit Center 6842 is at 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ESP Fit Center 6861 is at -0.270085 2.628688 2.826853 ESP Fit Center 6862 is at -0.387517 3.028626 2.826853 ESP Fit Center 6863 is at -2.318647 4.403778 2.826853 ESP Fit Center 6864 is at -2.734998 4.383945 2.826853 ESP Fit Center 6865 is at -3.140070 4.285675 2.826853 ESP Fit Center 6866 is at -3.519225 4.112521 2.826853 ESP Fit Center 6867 is at -3.858758 3.870740 2.826853 ESP Fit Center 6868 is at -4.146399 3.569072 2.826853 ESP Fit Center 6869 is at -4.371750 3.218419 2.826853 ESP Fit Center 6870 is at -4.526667 2.831454 2.826853 ESP Fit Center 6871 is at -4.605551 2.422165 2.826853 ESP Fit Center 6872 is at -4.605551 2.005342 2.826853 ESP Fit Center 6873 is at -4.526667 1.596053 2.826853 ESP Fit Center 6874 is at -4.371750 1.209088 2.826853 ESP Fit Center 6875 is at -2.734280 4.644812 2.509235 ESP Fit Center 6876 is at -3.140653 4.557232 2.509235 ESP Fit Center 6877 is at -3.526380 4.402234 2.509235 ESP Fit Center 6878 is at -3.880363 4.184278 2.509235 ESP Fit Center 6879 is at 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ESP Fit Center 6898 is at -4.535854 0.173367 1.389562 ESP Fit Center 6899 is at -3.147045 5.117855 0.983921 ESP Fit Center 6900 is at -3.544171 4.988821 0.983921 ESP Fit Center 6901 is at -4.844364 0.454509 0.983921 ESP Fit Center 6902 is at -4.575960 0.134637 0.983921 ESP Fit Center 6903 is at -3.147045 5.117855 0.574467 ESP Fit Center 6904 is at -3.544171 4.988821 0.574467 ESP Fit Center 6905 is at -4.844364 0.454509 0.574467 ESP Fit Center 6906 is at -3.133557 5.063757 0.168826 ESP Fit Center 6907 is at -3.523285 4.937126 0.168826 ESP Fit Center 6908 is at -2.936419 4.993515 -0.225445 ESP Fit Center 6909 is at -3.335684 4.889133 -0.225445 ESP Fit Center 6910 is at -3.715496 4.727731 -0.225445 ESP Fit Center 6911 is at -2.839659 4.844615 -0.601001 ESP Fit Center 6912 is at -3.246086 4.747041 -0.601001 ESP Fit Center 6913 is at -3.632245 4.587088 -0.601001 ESP Fit Center 6914 is at -2.318952 4.662455 -0.950847 ESP Fit Center 6915 is at -2.734280 4.644812 -0.950847 ESP Fit Center 6916 is at -3.140653 4.557232 -0.950847 ESP Fit Center 6917 is at -3.526380 4.402234 -0.950847 ESP Fit Center 6918 is at -1.906068 4.344458 -1.268466 ESP Fit Center 6919 is at -2.318647 4.403778 -1.268466 ESP Fit Center 6920 is at -2.734998 4.383945 -1.268466 ESP Fit Center 6921 is at -3.140070 4.285675 -1.268466 ESP Fit Center 6922 is at -3.519225 4.112521 -1.268466 ESP Fit Center 6923 is at -3.858758 3.870740 -1.268466 ESP Fit Center 6924 is at -4.600156 2.892393 2.738606 ESP Fit Center 6925 is at -4.362163 3.742300 2.498652 ESP Fit Center 6926 is at -4.669207 3.455542 2.498652 ESP Fit Center 6927 is at -4.887497 3.096578 2.498652 ESP Fit Center 6928 is at -5.000846 2.692032 2.498652 ESP Fit Center 6929 is at -5.000846 2.271906 2.498652 ESP Fit Center 6930 is at -4.887497 1.867359 2.498652 ESP Fit Center 6931 is at -4.391778 4.074162 2.202835 ESP Fit Center 6932 is at -4.734184 3.819250 2.202835 ESP Fit Center 6933 is at -5.008574 3.492245 2.202835 ESP Fit Center 6934 is at -5.200156 3.110775 2.202835 ESP Fit Center 6935 is at -5.298600 2.695406 2.202835 ESP Fit Center 6936 is at -5.298600 2.268531 2.202835 ESP Fit Center 6937 is at -5.200156 1.853162 2.202835 ESP Fit Center 6938 is at -5.008574 1.471693 2.202835 ESP Fit Center 6939 is at -4.387866 4.348020 1.860145 ESP Fit Center 6940 is at -4.744763 4.125565 1.860145 ESP Fit Center 6941 is at -5.049574 3.835821 1.860145 ESP Fit Center 6942 is at -5.289820 3.490650 1.860145 ESP Fit Center 6943 is at -5.455666 3.104183 1.860145 ESP Fit Center 6944 is at -5.540321 2.692243 1.860145 ESP Fit Center 6945 is at -5.540321 2.271694 1.860145 ESP Fit Center 6946 is at -5.455666 1.859754 1.860145 ESP Fit Center 6947 is at -5.289820 1.473288 1.860145 ESP Fit Center 6948 is at -5.049574 1.128116 1.860145 ESP Fit Center 6949 is at -4.210148 4.613193 1.480993 ESP Fit Center 6950 is at -4.600156 4.435083 1.480993 ESP Fit Center 6951 is at -4.949407 4.186382 1.480993 ESP Fit Center 6952 is at -5.245280 3.876079 1.480993 ESP Fit Center 6953 is at -5.477081 3.515390 1.480993 ESP Fit Center 6954 is at -5.636433 3.117350 1.480993 ESP Fit Center 6955 is at -5.717575 2.696345 1.480993 ESP Fit Center 6956 is at -5.717575 2.267592 1.480993 ESP Fit Center 6957 is at -5.636433 1.846588 1.480993 ESP Fit Center 6958 is at -5.477081 1.448548 1.480993 ESP Fit Center 6959 is at -5.245280 1.087858 1.480993 ESP Fit Center 6960 is at -3.998461 4.786249 1.076901 ESP Fit Center 6961 is at -4.401454 4.655308 1.076901 ESP Fit Center 6962 is at -4.774591 4.454515 1.076901 ESP Fit Center 6963 is at -5.105878 4.190322 1.076901 ESP Fit Center 6964 is at -5.384667 3.871222 1.076901 ESP Fit Center 6965 is at -5.601999 3.507470 1.076901 ESP Fit Center 6966 is at -5.750888 3.110757 1.076901 ESP Fit Center 6967 is at -5.826548 2.693835 1.076901 ESP Fit Center 6968 is at -5.826548 2.270103 1.076901 ESP Fit Center 6969 is at -5.750888 1.853180 1.076901 ESP Fit Center 6970 is at -5.601999 1.456468 1.076901 ESP Fit Center 6971 is at -5.384667 1.092716 1.076901 ESP Fit Center 6972 is at -5.105878 0.773615 1.076901 ESP Fit Center 6973 is at -3.889280 4.845507 0.660145 ESP Fit Center 6974 is at -4.293373 4.737231 0.660145 ESP Fit Center 6975 is at -4.672524 4.560430 0.660145 ESP Fit Center 6976 is at -5.015215 4.320475 0.660145 ESP Fit Center 6977 is at -5.311031 4.024659 0.660145 ESP Fit Center 6978 is at -5.550985 3.681969 0.660145 ESP Fit Center 6979 is at -5.727787 3.302817 0.660145 ESP Fit Center 6980 is at -5.836063 2.898724 0.660145 ESP Fit Center 6981 is at -5.872524 2.481969 0.660145 ESP Fit Center 6982 is at -5.836063 2.065213 0.660145 ESP Fit Center 6983 is at -5.727787 1.661120 0.660145 ESP Fit Center 6984 is at -5.550985 1.281969 0.660145 ESP Fit Center 6985 is at -5.311031 0.939278 0.660145 ESP Fit Center 6986 is at -5.015215 0.643462 0.660145 ESP Fit Center 6987 is at -3.998461 4.786249 0.243389 ESP Fit Center 6988 is at -4.401454 4.655308 0.243389 ESP Fit Center 6989 is at -4.774591 4.454515 0.243389 ESP Fit Center 6990 is at -5.105878 4.190322 0.243389 ESP Fit Center 6991 is at -5.384667 3.871222 0.243389 ESP Fit Center 6992 is at -5.601999 3.507470 0.243389 ESP Fit Center 6993 is at -5.750888 3.110757 0.243389 ESP Fit Center 6994 is at -5.826548 2.693835 0.243389 ESP Fit Center 6995 is at -5.826548 2.270103 0.243389 ESP Fit Center 6996 is at -5.750888 1.853180 0.243389 ESP Fit Center 6997 is at -5.601999 1.456468 0.243389 ESP Fit Center 6998 is at -5.384667 1.092716 0.243389 ESP Fit Center 6999 is at -5.105878 0.773615 0.243389 ESP Fit Center 7000 is at -3.793482 4.714276 -0.160703 ESP Fit Center 7001 is at -4.210148 4.613193 -0.160703 ESP Fit Center 7002 is at -4.600156 4.435083 -0.160703 ESP Fit Center 7003 is at -4.949407 4.186382 -0.160703 ESP Fit Center 7004 is at -5.245280 3.876079 -0.160703 ESP Fit Center 7005 is at -5.477081 3.515390 -0.160703 ESP Fit Center 7006 is at -5.636433 3.117350 -0.160703 ESP Fit Center 7007 is at -5.717575 2.696345 -0.160703 ESP Fit Center 7008 is at -5.717575 2.267592 -0.160703 ESP Fit Center 7009 is at -5.636433 1.846588 -0.160703 ESP Fit Center 7010 is at -5.477081 1.448548 -0.160703 ESP Fit Center 7011 is at -5.245280 1.087858 -0.160703 ESP Fit Center 7012 is at -4.949407 0.777555 -0.160703 ESP Fit Center 7013 is at -3.993496 4.494079 -0.539855 ESP Fit Center 7014 is at -4.387866 4.348020 -0.539855 ESP Fit Center 7015 is at -4.744763 4.125565 -0.539855 ESP Fit Center 7016 is at -5.049574 3.835821 -0.539855 ESP Fit Center 7017 is at -5.289820 3.490650 -0.539855 ESP Fit Center 7018 is at -5.455666 3.104183 -0.539855 ESP Fit Center 7019 is at -5.540321 2.692243 -0.539855 ESP Fit Center 7020 is at -5.540321 2.271694 -0.539855 ESP Fit Center 7021 is at -5.455666 1.859754 -0.539855 ESP Fit Center 7022 is at -5.289820 1.473288 -0.539855 ESP Fit Center 7023 is at -5.049574 1.128116 -0.539855 ESP Fit Center 7024 is at -3.999814 4.243239 -0.882545 ESP Fit Center 7025 is at -4.391778 4.074162 -0.882545 ESP Fit Center 7026 is at -4.734184 3.819250 -0.882545 ESP Fit Center 7027 is at -5.008574 3.492245 -0.882545 ESP Fit Center 7028 is at -5.200156 3.110775 -0.882545 ESP Fit Center 7029 is at -5.298600 2.695406 -0.882545 ESP Fit Center 7030 is at -5.298600 2.268531 -0.882545 ESP Fit Center 7031 is at -5.200156 1.853162 -0.882545 ESP Fit Center 7032 is at -5.008574 1.471693 -0.882545 ESP Fit Center 7033 is at -3.989140 3.935586 -1.178362 ESP Fit Center 7034 is at -4.362163 3.742300 -1.178362 ESP Fit Center 7035 is at -4.669207 3.455542 -1.178362 ESP Fit Center 7036 is at -4.887497 3.096578 -1.178362 ESP Fit Center 7037 is at -5.000846 2.692032 -1.178362 ESP Fit Center 7038 is at -5.000846 2.271906 -1.178362 ESP Fit Center 7039 is at -4.887497 1.867359 -1.178362 ESP Fit Center 7040 is at -4.072524 3.521199 -1.418316 ESP Fit Center 7041 is at -4.391778 3.253314 -1.418316 ESP Fit Center 7042 is at -4.600156 2.892393 -1.418316 ESP Fit Center 7043 is at -4.672524 2.481969 -1.418316 ESP Fit Center 7044 is at -0.692240 3.531096 2.908225 ESP Fit Center 7045 is at -0.900618 3.892017 2.908225 ESP Fit Center 7046 is at -1.219872 4.159903 2.908225 ESP Fit Center 7047 is at -1.611494 4.302442 2.908225 ESP Fit Center 7048 is at -2.028249 4.302442 2.908225 ESP Fit Center 7049 is at -0.334388 3.536885 2.668270 ESP Fit Center 7050 is at -0.501767 3.922229 2.668270 ESP Fit Center 7051 is at -0.766903 4.248126 2.668270 ESP Fit Center 7052 is at -1.110134 4.490404 2.668270 ESP Fit Center 7053 is at -1.506002 4.631096 2.668270 ESP Fit Center 7054 is at -1.925148 4.659766 2.668270 ESP Fit Center 7055 is at -2.336487 4.574289 2.668270 ESP Fit Center 7056 is at -0.030922 3.544661 2.372454 ESP Fit Center 7057 is at -0.176922 3.945793 2.372454 ESP Fit Center 7058 is at -0.411494 4.302442 2.372454 ESP Fit Center 7059 is at -0.721991 4.595381 2.372454 ESP Fit Center 7060 is at -1.091676 4.808819 2.372454 ESP Fit Center 7061 is at -1.500618 4.931248 2.372454 ESP Fit Center 7062 is at -1.926771 4.956068 2.372454 ESP Fit Center 7063 is at -2.347161 4.881942 2.372454 ESP Fit Center 7064 is at -0.113947 4.308031 2.029764 ESP Fit Center 7065 is at -0.387881 4.627126 2.029764 ESP Fit Center 7066 is at -0.720440 4.884546 2.029764 ESP Fit Center 7067 is at -1.098011 5.069753 2.029764 ESP Fit Center 7068 is at -1.505135 5.175165 2.029764 ESP Fit Center 7069 is at -1.925144 5.196466 2.029764 ESP Fit Center 7070 is at -2.340843 5.132783 2.029764 ESP Fit Center 7071 is at -2.735214 4.986724 2.029764 ESP Fit Center 7072 is at -0.187661 4.676981 1.650612 ESP Fit Center 7073 is at -0.511691 4.957755 1.650612 ESP Fit Center 7074 is at -0.883002 5.172131 1.650612 ESP Fit Center 7075 is at -1.288173 5.312362 1.650612 ESP Fit Center 7076 is at -1.712562 5.373380 1.650612 ESP Fit Center 7077 is at -2.140829 5.352979 1.650612 ESP Fit Center 7078 is at -2.557496 5.251897 1.650612 ESP Fit Center 7079 is at -2.947503 5.073787 1.650612 ESP Fit Center 7080 is at -0.346229 4.968561 1.246519 ESP Fit Center 7081 is at -0.699865 5.201994 1.246519 ESP Fit Center 7082 is at -1.089498 5.368531 1.246519 ESP Fit Center 7083 is at -1.502606 5.462820 1.246519 ESP Fit Center 7084 is at -1.925911 5.481831 1.246519 ESP Fit Center 7085 is at -2.345808 5.424952 1.246519 ESP Fit Center 7086 is at -2.748801 5.294012 1.246519 ESP Fit Center 7087 is at -0.619872 5.199133 0.829764 ESP Fit Center 7088 is at -0.999023 5.375935 0.829764 ESP Fit Center 7089 is at -1.403116 5.484211 0.829764 ESP Fit Center 7090 is at -1.819872 5.520672 0.829764 ESP Fit Center 7091 is at -2.236627 5.484211 0.829764 ESP Fit Center 7092 is at -2.640720 5.375935 0.829764 ESP Fit Center 7093 is at -3.019872 5.199133 0.829764 ESP Fit Center 7094 is at -0.699865 5.201994 0.413008 ESP Fit Center 7095 is at -1.089498 5.368531 0.413008 ESP Fit Center 7096 is at -1.502606 5.462820 0.413008 ESP Fit Center 7097 is at -1.925911 5.481831 0.413008 ESP Fit Center 7098 is at -2.345808 5.424952 0.413008 ESP Fit Center 7099 is at -2.748801 5.294012 0.413008 ESP Fit Center 7100 is at -0.883002 5.172131 0.008915 ESP Fit Center 7101 is at -1.288173 5.312362 0.008915 ESP Fit Center 7102 is at -1.712562 5.373380 0.008915 ESP Fit Center 7103 is at -2.140829 5.352979 0.008915 ESP Fit Center 7104 is at -2.557496 5.251897 0.008915 ESP Fit Center 7105 is at -2.947503 5.073787 0.008915 ESP Fit Center 7106 is at -1.098011 5.069753 -0.370236 ESP Fit Center 7107 is at -1.505135 5.175165 -0.370236 ESP Fit Center 7108 is at -1.925144 5.196466 -0.370236 ESP Fit Center 7109 is at -2.340843 5.132783 -0.370236 ESP Fit Center 7110 is at -2.735214 4.986724 -0.370236 ESP Fit Center 7111 is at -1.500618 4.931248 -0.712927 ESP Fit Center 7112 is at -1.926771 4.956068 -0.712927 ESP Fit Center 7113 is at -2.347161 4.881942 -0.712927 ESP Fit Center 7114 is at -1.506002 4.631096 -1.008743 ESP Fit Center 7115 is at -1.925148 4.659766 -1.008743 ESP Fit Center 7116 is at -1.611494 4.302442 -1.248697 ESP Fit Center 7117 is at -2.296383 1.643168 4.098788 ESP Fit Center 7118 is at -1.879628 1.643168 4.062327 ESP Fit Center 7119 is at -2.088006 2.004089 4.062327 ESP Fit Center 7120 is at -2.504761 2.004089 4.062327 ESP Fit Center 7121 is at -2.713139 1.643168 4.062327 ESP Fit Center 7122 is at -2.504761 1.282247 4.062327 ESP Fit Center 7123 is at -2.088006 1.282247 4.062327 ESP Fit Center 7124 is at -1.475535 1.643168 3.954050 ESP Fit Center 7125 is at -1.585508 2.053592 3.954050 ESP Fit Center 7126 is at -1.885959 2.354043 3.954050 ESP Fit Center 7127 is at -2.296383 2.464016 3.954050 ESP Fit Center 7128 is at -2.706808 2.354043 3.954050 ESP Fit Center 7129 is at -3.007259 2.053592 3.954050 ESP Fit Center 7130 is at -3.117232 1.643168 3.954050 ESP Fit Center 7131 is at -3.007259 1.232744 3.954050 ESP Fit Center 7132 is at -2.706808 0.932292 3.954050 ESP Fit Center 7133 is at -2.296383 0.822320 3.954050 ESP Fit Center 7134 is at -1.885959 0.932292 3.954050 ESP Fit Center 7135 is at -1.585508 1.232744 3.954050 ESP Fit Center 7136 is at -1.096383 1.643168 3.777249 ESP Fit Center 7137 is at -1.168752 2.053592 3.777249 ESP Fit Center 7138 is at -1.377130 2.414513 3.777249 ESP Fit Center 7139 is at -1.696383 2.682398 3.777249 ESP Fit Center 7140 is at -2.088006 2.824937 3.777249 ESP Fit Center 7141 is at -2.504761 2.824937 3.777249 ESP Fit Center 7142 is at -2.896383 2.682398 3.777249 ESP Fit Center 7143 is at -3.215637 2.414513 3.777249 ESP Fit Center 7144 is at -3.424014 2.053592 3.777249 ESP Fit Center 7145 is at -3.496383 1.643168 3.777249 ESP Fit Center 7146 is at -3.424014 1.232744 3.777249 ESP Fit Center 7147 is at -3.215637 0.871823 3.777249 ESP Fit Center 7148 is at -2.896383 0.603937 3.777249 ESP Fit Center 7149 is at -2.504761 0.461399 3.777249 ESP Fit Center 7150 is at -2.088006 0.461399 3.777249 ESP Fit Center 7151 is at -1.696383 0.603937 3.777249 ESP Fit Center 7152 is at -1.377130 0.871823 3.777249 ESP Fit Center 7153 is at -1.168752 1.232744 3.777249 ESP Fit Center 7154 is at -0.753693 1.643168 3.537295 ESP Fit Center 7155 is at -0.810900 2.059381 3.537295 ESP Fit Center 7156 is at -0.978279 2.444725 3.537295 ESP Fit Center 7157 is at -1.243415 2.770621 3.537295 ESP Fit Center 7158 is at -3.711356 2.257777 3.537295 ESP Fit Center 7159 is at -3.824705 1.853231 3.537295 ESP Fit Center 7160 is at -3.824705 1.433105 3.537295 ESP Fit Center 7161 is at -3.711356 1.028558 3.537295 ESP Fit Center 7162 is at -3.493066 0.669595 3.537295 ESP Fit Center 7163 is at -3.186022 0.382836 3.537295 ESP Fit Center 7164 is at -2.812999 0.189551 3.537295 ESP Fit Center 7165 is at -2.401660 0.104074 3.537295 ESP Fit Center 7166 is at -1.982514 0.132744 3.537295 ESP Fit Center 7167 is at -1.586645 0.273436 3.537295 ESP Fit Center 7168 is at -1.243415 0.515714 3.537295 ESP Fit Center 7169 is at -0.978279 0.841611 3.537295 ESP Fit Center 7170 is at -0.810900 1.226955 3.537295 ESP Fit Center 7171 is at -0.457877 1.643168 3.241478 ESP Fit Center 7172 is at -0.507434 2.067157 3.241478 ESP Fit Center 7173 is at -0.653434 2.468288 3.241478 ESP Fit Center 7174 is at -4.122459 1.856606 3.241478 ESP Fit Center 7175 is at -4.122459 1.429730 3.241478 ESP Fit Center 7176 is at -4.024014 1.014362 3.241478 ESP Fit Center 7177 is at -3.832433 0.632892 3.241478 ESP Fit Center 7178 is at -3.558043 0.305887 3.241478 ESP Fit Center 7179 is at -3.215637 0.050974 3.241478 ESP Fit Center 7180 is at -0.888006 0.461399 3.241478 ESP Fit Center 7181 is at -0.653434 0.818048 3.241478 ESP Fit Center 7182 is at -0.507434 1.219179 3.241478 ESP Fit Center 7183 is at -0.217922 1.643168 2.898788 ESP Fit Center 7184 is at -0.260469 2.061559 2.898788 ESP Fit Center 7185 is at -4.279525 1.020953 2.898788 ESP Fit Center 7186 is at -4.113679 0.634487 2.898788 ESP Fit Center 7187 is at -3.873432 0.289316 2.898788 ESP Fit Center 7188 is at -0.590459 0.455809 2.898788 ESP Fit Center 7189 is at -0.386365 0.823515 2.898788 ESP Fit Center 7190 is at -0.260469 1.224777 2.898788 ESP Fit Center 7191 is at -4.300940 0.609747 2.519636 ESP Fit Center 7192 is at -4.069139 0.249057 2.519636 Entering OneElI... OneElI was handed 2147347745 working-precision words. Calculate electrostatic properties NBasis = 223 MinDer = 0 MaxDer = 0 NGrid = 7192 NMatD = 1 Requested accuracy = 0.1000D-05 ShPair: Thresh= 1.00D-06 NBox= 0 BxSize= 0.00D+00 RnKept= 1.35D+01 NSMCal= 3003 NSMKep= 1838 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 13218896 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 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs PRISM was handed 178779205 working-precision words and 1838 shell-pairs IPart= 6 NShTot= 1071608 NBatch= 1041 AvBLen= 1029.4 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 1064416 NBatch= 1036 AvBLen= 1027.4 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 1078800 NBatch= 1051 AvBLen= 1026.5 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 1258600 NBatch= 1384 AvBLen= 909.4 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 1014072 NBatch= 977 AvBLen= 1037.9 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 992496 NBatch= 955 AvBLen= 1039.3 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 1050032 NBatch= 1021 AvBLen= 1028.4 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 1035648 NBatch= 1001 AvBLen= 1034.6 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 1114760 NBatch= 1094 AvBLen= 1019.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 1165104 NBatch= 1145 AvBLen= 1017.6 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 1179488 NBatch= 1161 AvBLen= 1015.9 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 1193872 NBatch= 1196 AvBLen= 998.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 7167 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00255 RRMS= 0.11595: ESP charges: 1 1 C 0.351134 2 C -0.453523 3 O -0.831171 4 O -0.598857 5 C 0.635514 6 N -0.098279 7 C -0.250982 8 S -0.378767 9 N 0.484462 10 C -0.018803 11 C -0.457614 12 H 0.047761 13 H 0.131850 14 H 0.127724 15 H 0.261453 16 C 0.034577 17 H 0.231866 18 H 0.130249 19 H 0.511175 20 H 0.166628 21 H 0.050402 22 C -0.317480 23 H 0.079723 24 H 0.085136 25 H 0.075820 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.398895 2 C -0.063700 3 O -0.319995 4 O -0.598857 5 C 0.635514 6 N 0.163175 7 C -0.250982 8 S -0.378767 9 N 0.484462 10 C -0.018803 11 C -0.225747 16 C 0.251607 22 C -0.076801 Charge= 0.00000 Dipole= -7.1322 -1.2129 -0.2849 Tot= 7.2402 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.582053 2 Atom -14.708367 3 Atom -22.257129 4 Atom -22.343271 5 Atom -14.583937 6 Atom -18.248388 7 Atom -14.534632 8 Atom -59.250418 9 Atom -18.222251 10 Atom -14.628104 11 Atom -14.723948 12 Atom -1.079290 13 Atom -1.084097 14 Atom -1.089004 15 Atom -0.964467 16 Atom -14.728426 17 Atom -1.082991 18 Atom -1.087943 19 Atom -0.915572 20 Atom -1.090532 21 Atom -1.105223 22 Atom -14.724616 23 Atom -1.112031 24 Atom -1.117585 25 Atom -1.112219 26 Fit 0.015315 27 Fit 0.014505 28 Fit 0.019733 29 Fit 0.020970 30 Fit 0.020795 31 Fit 0.020380 32 Fit 0.019635 33 Fit 0.018654 34 Fit 0.022324 35 Fit 0.021879 36 Fit 0.020871 37 Fit 0.020035 38 Fit 0.018477 39 Fit 0.016083 40 Fit 0.024512 41 Fit 0.022712 42 Fit 0.028075 43 Fit 0.025088 44 Fit 0.033222 45 Fit 0.033876 46 Fit -0.003808 47 Fit 0.043345 48 Fit -0.012862 49 Fit 0.036469 50 Fit 0.045339 51 Fit 0.059272 52 Fit 0.040526 53 Fit 0.038756 54 Fit 0.035283 55 Fit 0.033751 56 Fit 0.025187 57 Fit 0.007725 58 Fit 0.014324 59 Fit 0.023968 60 Fit 0.007878 61 Fit 0.004757 62 Fit 0.002864 63 Fit 0.000941 64 Fit -0.001518 65 Fit -0.003723 66 Fit -0.001398 67 Fit 0.003779 68 Fit 0.011543 69 Fit 0.022294 70 Fit 0.027430 71 Fit -0.001162 72 Fit -0.004327 73 Fit -0.006582 74 Fit -0.008144 75 Fit -0.008353 76 Fit -0.006142 77 Fit -0.000925 78 Fit 0.007290 79 Fit 0.018267 80 Fit 0.024616 81 Fit 0.015413 82 Fit 0.008466 83 Fit 0.003067 84 Fit -0.006017 85 Fit -0.009231 86 Fit -0.010537 87 Fit -0.009322 88 Fit -0.004726 89 Fit 0.003245 90 Fit 0.013044 91 Fit 0.020641 92 Fit 0.020938 93 Fit 0.014285 94 Fit 0.005951 95 Fit -0.000977 96 Fit -0.006683 97 Fit -0.008996 98 Fit -0.004938 99 Fit 0.003431 100 Fit 0.006451 101 Fit 0.000187 102 Fit -0.003379 103 Fit -0.034866 104 Fit -0.040799 105 Fit -0.043100 106 Fit -0.037475 107 Fit -0.027188 108 Fit -0.023482 109 Fit -0.031582 110 Fit -0.045364 111 Fit -0.048838 112 Fit -0.049055 113 Fit -0.046152 114 Fit -0.039577 115 Fit -0.029424 116 Fit -0.027113 117 Fit -0.037915 118 Fit -0.048859 119 Fit -0.052313 120 Fit -0.053543 121 Fit -0.053153 122 Fit -0.050935 123 Fit -0.046127 124 Fit -0.038070 125 Fit -0.026868 126 Fit -0.018104 127 Fit -0.031337 128 Fit -0.042071 129 Fit -0.051482 130 Fit -0.054683 131 Fit -0.056116 132 Fit -0.056523 133 Fit -0.056092 134 Fit -0.054478 135 Fit -0.050960 136 Fit -0.044749 137 Fit -0.035404 138 Fit -0.023205 139 Fit -0.020331 140 Fit -0.035070 141 Fit -0.045348 142 Fit -0.053343 143 Fit -0.056415 144 Fit -0.057808 145 Fit -0.058365 146 Fit -0.058422 147 Fit -0.057820 148 Fit -0.055984 149 Fit -0.052056 150 Fit -0.045116 151 Fit -0.034494 152 Fit -0.020190 153 Fit -0.019018 154 Fit -0.036466 155 Fit -0.047274 156 Fit -0.054500 157 Fit -0.057406 158 Fit -0.058748 159 Fit -0.059352 160 Fit -0.059623 161 Fit -0.059564 162 Fit -0.058810 163 Fit -0.056690 164 Fit -0.052312 165 Fit -0.044661 166 Fit -0.032675 167 Fit -0.020270 168 Fit -0.038286 169 Fit -0.048751 170 Fit -0.054975 171 Fit -0.057841 172 Fit -0.059161 173 Fit -0.059777 174 Fit -0.060115 175 Fit -0.060212 176 Fit -0.059739 177 Fit -0.058053 178 Fit -0.054244 179 Fit -0.047165 180 Fit -0.035306 181 Fit -0.019840 182 Fit -0.038662 183 Fit -0.049250 184 Fit -0.054773 185 Fit -0.057654 186 Fit -0.059014 187 Fit -0.059673 188 Fit -0.060045 189 Fit -0.060155 190 Fit -0.059660 191 Fit -0.057894 192 Fit -0.053907 193 Fit -0.046461 194 Fit -0.033771 195 Fit -0.020410 196 Fit -0.038679 197 Fit -0.049089 198 Fit -0.053886 199 Fit -0.056844 200 Fit -0.058300 201 Fit -0.059026 202 Fit -0.059387 203 Fit -0.059348 204 Fit -0.058495 205 Fit -0.056088 206 Fit -0.051108 207 Fit -0.042247 208 Fit -0.027598 209 Fit -0.021589 210 Fit -0.038236 211 Fit -0.048239 212 Fit -0.052293 213 Fit -0.055473 214 Fit -0.057054 215 Fit -0.057787 216 Fit -0.057931 217 Fit -0.057247 218 Fit -0.055054 219 Fit -0.050327 220 Fit -0.041836 221 Fit -0.028226 222 Fit -0.020391 223 Fit -0.036143 224 Fit -0.046337 225 Fit -0.049937 226 Fit -0.053318 227 Fit -0.054983 228 Fit -0.055554 229 Fit -0.055104 230 Fit -0.053152 231 Fit -0.048810 232 Fit -0.041061 233 Fit -0.029192 234 Fit -0.020139 235 Fit -0.033964 236 Fit -0.043827 237 Fit -0.046710 238 Fit -0.050445 239 Fit -0.051897 240 Fit -0.051479 241 Fit -0.048773 242 Fit -0.042803 243 Fit -0.032797 244 Fit -0.028818 245 Fit -0.039724 246 Fit -0.042417 247 Fit -0.046256 248 Fit -0.046468 249 Fit -0.042903 250 Fit -0.034824 251 Fit -0.022531 252 Fit -0.022092 253 Fit -0.034329 254 Fit -0.036761 255 Fit -0.039269 256 Fit -0.032359 257 Fit -0.025955 258 Fit -0.029357 259 Fit 0.004100 260 Fit -0.003232 261 Fit -0.006874 262 Fit 0.000980 263 Fit 0.009315 264 Fit 0.011605 265 Fit 0.006031 266 Fit -0.012052 267 Fit -0.013163 268 Fit -0.002433 269 Fit 0.005272 270 Fit 0.011659 271 Fit 0.017348 272 Fit -0.000256 273 Fit -0.012562 274 Fit -0.002111 275 Fit 0.023963 276 Fit -0.014467 277 Fit -0.007411 278 Fit -0.014151 279 Fit -0.017118 280 Fit -0.002301 281 Fit -0.005282 282 Fit -0.012496 283 Fit -0.012699 284 Fit -0.006571 285 Fit 0.018709 286 Fit 0.009298 287 Fit 0.003261 288 Fit 0.001864 289 Fit -0.001289 290 Fit 0.003008 291 Fit 0.008397 292 Fit 0.012569 293 Fit 0.009096 294 Fit 0.006641 295 Fit 0.004248 296 Fit 0.002612 297 Fit 0.003481 298 Fit 0.007523 299 Fit 0.009375 300 Fit 0.005784 301 Fit 0.002445 302 Fit 0.004741 303 Fit 0.002253 304 Fit 0.002164 305 Fit 0.013000 306 Fit 0.016049 307 Fit 0.017663 308 Fit 0.015802 309 Fit 0.008737 310 Fit 0.001813 311 Fit 0.001257 312 Fit 0.004269 313 Fit 0.004638 314 Fit -0.001849 315 Fit 0.026893 316 Fit -0.001372 317 Fit 0.006114 318 Fit -0.003218 319 Fit 0.035348 320 Fit -0.006330 321 Fit 0.008273 322 Fit 0.002565 323 Fit -0.004613 324 Fit -0.002638 325 Fit 0.005290 326 Fit 0.002476 327 Fit 0.000406 328 Fit -0.000261 329 Fit -0.003719 330 Fit -0.000967 331 Fit 0.002206 332 Fit 0.000575 333 Fit 0.001524 334 Fit 0.021734 335 Fit 0.023955 336 Fit -0.000195 337 Fit -0.000162 338 Fit 0.002144 339 Fit 0.005993 340 Fit 0.012075 341 Fit 0.014284 342 Fit 0.009632 343 Fit 0.002978 344 Fit 0.006837 345 Fit 0.011991 346 Fit 0.005344 347 Fit 0.014208 348 Fit 0.020889 349 Fit 0.019625 350 Fit 0.007948 351 Fit 0.000927 352 Fit 0.027313 353 Fit 0.028435 354 Fit -0.000872 355 Fit 0.002585 356 Fit 0.009783 357 Fit 0.017025 358 Fit 0.022824 359 Fit 0.007339 360 Fit 0.015133 361 Fit 0.018251 362 Fit 0.015287 363 Fit 0.007986 364 Fit 0.002208 365 Fit 0.011834 366 Fit -0.032767 367 Fit -0.035701 368 Fit -0.030760 369 Fit -0.026497 370 Fit -0.028581 371 Fit -0.033473 372 Fit -0.036182 373 Fit -0.037662 374 Fit -0.033507 375 Fit -0.027095 376 Fit -0.020876 377 Fit -0.017181 378 Fit -0.017597 379 Fit -0.022664 380 Fit -0.029082 381 Fit -0.033161 382 Fit -0.035291 383 Fit -0.037042 384 Fit -0.038422 385 Fit -0.038831 386 Fit -0.034997 387 Fit -0.028623 388 Fit -0.021338 389 Fit -0.014244 390 Fit -0.008161 391 Fit -0.004594 392 Fit -0.003534 393 Fit -0.023432 394 Fit -0.029279 395 Fit -0.032048 396 Fit -0.033165 397 Fit -0.034119 398 Fit -0.035808 399 Fit -0.038025 400 Fit -0.039549 401 Fit -0.039348 402 Fit -0.035195 403 Fit -0.027978 404 Fit -0.019466 405 Fit -0.011610 406 Fit -0.003962 407 Fit -0.021659 408 Fit -0.027455 409 Fit -0.029969 410 Fit -0.030548 411 Fit -0.030498 412 Fit -0.030995 413 Fit -0.032684 414 Fit -0.035431 415 Fit -0.038361 416 Fit -0.040124 417 Fit -0.039365 418 Fit -0.034690 419 Fit -0.026174 420 Fit -0.015130 421 Fit -0.004893 422 Fit -0.019822 423 Fit -0.025297 424 Fit -0.027749 425 Fit -0.028132 426 Fit -0.027448 427 Fit -0.026794 428 Fit -0.027062 429 Fit -0.028713 430 Fit -0.031665 431 Fit -0.035306 432 Fit -0.038620 433 Fit -0.040374 434 Fit -0.039077 435 Fit -0.033614 436 Fit -0.023155 437 Fit -0.007678 438 Fit -0.020523 439 Fit -0.024557 440 Fit -0.025925 441 Fit -0.025456 442 Fit -0.024161 443 Fit -0.023055 444 Fit -0.022943 445 Fit -0.024277 446 Fit -0.027087 447 Fit -0.030981 448 Fit -0.035203 449 Fit -0.038732 450 Fit -0.040416 451 Fit -0.038722 452 Fit -0.032207 453 Fit -0.019020 454 Fit -0.015078 455 Fit -0.021165 456 Fit -0.023677 457 Fit -0.023670 458 Fit -0.022262 459 Fit -0.020585 460 Fit -0.019603 461 Fit -0.019982 462 Fit -0.022006 463 Fit -0.025549 464 Fit -0.030100 465 Fit -0.034823 466 Fit -0.038654 467 Fit -0.040387 468 Fit -0.038532 469 Fit -0.031537 470 Fit -0.017014 471 Fit -0.008729 472 Fit -0.017246 473 Fit -0.021373 474 Fit -0.022339 475 Fit -0.021335 476 Fit -0.019542 477 Fit -0.018000 478 Fit -0.017504 479 Fit -0.018531 480 Fit -0.021196 481 Fit -0.025256 482 Fit -0.030136 483 Fit -0.035000 484 Fit -0.038817 485 Fit -0.040427 486 Fit -0.038656 487 Fit -0.031720 488 Fit -0.017366 489 Fit -0.009162 490 Fit -0.017217 491 Fit -0.020829 492 Fit -0.021403 493 Fit -0.020245 494 Fit -0.018532 495 Fit -0.017243 496 Fit -0.017086 497 Fit -0.018450 498 Fit -0.021386 499 Fit -0.025610 500 Fit -0.030540 501 Fit -0.035358 502 Fit -0.039078 503 Fit -0.040592 504 Fit -0.039091 505 Fit -0.032493 506 Fit -0.019083 507 Fit -0.012705 508 Fit -0.019131 509 Fit -0.021349 510 Fit -0.021081 511 Fit -0.019736 512 Fit -0.018468 513 Fit -0.018128 514 Fit -0.019227 515 Fit -0.021901 516 Fit -0.025925 517 Fit -0.030740 518 Fit -0.035526 519 Fit -0.039279 520 Fit -0.040875 521 Fit -0.039683 522 Fit -0.033790 523 Fit -0.022285 524 Fit -0.014045 525 Fit -0.020307 526 Fit -0.022337 527 Fit -0.022124 528 Fit -0.021168 529 Fit -0.020609 530 Fit -0.021205 531 Fit -0.023298 532 Fit -0.026802 533 Fit -0.031241 534 Fit -0.035817 535 Fit -0.039512 536 Fit -0.041192 537 Fit -0.040190 538 Fit -0.035294 539 Fit -0.026270 540 Fit -0.013638 541 Fit -0.017012 542 Fit -0.022445 543 Fit -0.024262 544 Fit -0.024329 545 Fit -0.024036 546 Fit -0.024374 547 Fit -0.025902 548 Fit -0.028722 549 Fit -0.032497 550 Fit -0.036526 551 Fit -0.039856 552 Fit -0.041422 553 Fit -0.040370 554 Fit -0.036040 555 Fit -0.028396 556 Fit -0.018559 557 Fit -0.008570 558 Fit -0.014551 559 Fit -0.022564 560 Fit -0.026089 561 Fit -0.027255 562 Fit -0.027685 563 Fit -0.028533 564 Fit -0.030411 565 Fit -0.033341 566 Fit -0.036799 567 Fit -0.039861 568 Fit -0.041404 569 Fit -0.040037 570 Fit -0.035903 571 Fit -0.028834 572 Fit -0.019983 573 Fit -0.010162 574 Fit -0.019500 575 Fit -0.026141 576 Fit -0.029314 577 Fit -0.030803 578 Fit -0.032122 579 Fit -0.034128 580 Fit -0.036846 581 Fit -0.039542 582 Fit -0.041011 583 Fit -0.039066 584 Fit -0.034909 585 Fit -0.028013 586 Fit -0.019500 587 Fit -0.010522 588 Fit -0.003436 589 Fit -0.000914 590 Fit -0.001536 591 Fit -0.003473 592 Fit -0.008108 593 Fit -0.016189 594 Fit -0.024252 595 Fit -0.029641 596 Fit -0.032623 597 Fit -0.034628 598 Fit -0.036720 599 Fit -0.038894 600 Fit -0.040129 601 Fit -0.037367 602 Fit -0.032589 603 Fit -0.025230 604 Fit -0.018090 605 Fit -0.014439 606 Fit -0.015064 607 Fit -0.019186 608 Fit -0.025616 609 Fit -0.031253 610 Fit -0.034806 611 Fit -0.037196 612 Fit -0.038537 613 Fit -0.034834 614 Fit -0.029111 615 Fit -0.024348 616 Fit -0.026317 617 Fit -0.031910 618 Fit -0.035488 619 Fit -0.031276 620 Fit 0.029595 621 Fit 0.028477 622 Fit 0.029210 623 Fit 0.029737 624 Fit 0.028189 625 Fit 0.033765 626 Fit 0.023714 627 Fit 0.014173 628 Fit 0.017322 629 Fit 0.018343 630 Fit 0.017887 631 Fit 0.013350 632 Fit 0.017417 633 Fit 0.014104 634 Fit 0.014677 635 Fit 0.014052 636 Fit 0.014856 637 Fit 0.014355 638 Fit 0.011697 639 Fit 0.013339 640 Fit 0.013341 641 Fit 0.012938 642 Fit 0.021438 643 Fit 0.019112 644 Fit 0.012757 645 Fit 0.028856 646 Fit 0.025897 647 Fit 0.034976 648 Fit 0.028705 649 Fit 0.020465 650 Fit 0.010897 651 Fit 0.004789 652 Fit 0.003685 653 Fit 0.008695 654 Fit 0.013554 655 Fit 0.016138 656 Fit 0.015779 657 Fit 0.011354 658 Fit 0.009111 659 Fit 0.012932 660 Fit 0.014690 661 Fit 0.014771 662 Fit 0.014747 663 Fit 0.013127 664 Fit 0.002821 665 Fit 0.005753 666 Fit 0.000378 667 Fit -0.000315 668 Fit 0.001961 669 Fit 0.006546 670 Fit 0.009295 671 Fit -0.002078 672 Fit -0.001524 673 Fit -0.000336 674 Fit 0.000784 675 Fit 0.003640 676 Fit 0.008370 677 Fit 0.013152 678 Fit 0.017177 679 Fit -0.005016 680 Fit -0.001338 681 Fit 0.001734 682 Fit 0.003479 683 Fit 0.030687 684 Fit -0.007665 685 Fit -0.011283 686 Fit -0.008108 687 Fit -0.002734 688 Fit -0.004365 689 Fit -0.002825 690 Fit 0.000963 691 Fit 0.004623 692 Fit 0.007450 693 Fit 0.010428 694 Fit 0.019358 695 Fit 0.002601 696 Fit -0.001750 697 Fit -0.002655 698 Fit -0.000749 699 Fit 0.001809 700 Fit 0.004178 701 Fit 0.008589 702 Fit 0.006843 703 Fit -0.000278 704 Fit -0.002136 705 Fit -0.000832 706 Fit 0.000964 707 Fit 0.001998 708 Fit 0.001975 709 Fit -0.000975 710 Fit 0.005662 711 Fit 0.039134 712 Fit 0.025922 713 Fit 0.011621 714 Fit 0.061913 715 Fit 0.046567 716 Fit 0.034521 717 Fit 0.023074 718 Fit 0.010429 719 Fit -0.004874 720 Fit 0.049238 721 Fit 0.037334 722 Fit 0.026905 723 Fit 0.016073 724 Fit 0.003457 725 Fit 0.045556 726 Fit 0.035107 727 Fit 0.025500 728 Fit 0.015346 729 Fit 0.003670 730 Fit -0.009447 731 Fit 0.006268 732 Fit 0.016132 733 Fit 0.041549 734 Fit 0.034251 735 Fit 0.025981 736 Fit 0.016937 737 Fit 0.006988 738 Fit -0.002576 739 Fit -0.007793 740 Fit 0.006144 741 Fit 0.011674 742 Fit 0.016008 743 Fit 0.027356 744 Fit 0.031166 745 Fit 0.027023 746 Fit 0.019761 747 Fit 0.011695 748 Fit 0.005836 749 Fit 0.013180 750 Fit 0.015474 751 Fit 0.016585 752 Fit 0.021835 753 Fit 0.022158 754 Fit 0.016013 755 Fit 0.017921 756 Fit 0.019216 757 Fit 0.016646 758 Fit 0.022922 759 Fit 0.021977 760 Fit 0.020484 761 Fit 0.017848 762 Fit 0.014468 763 Fit 0.012408 764 Fit 0.024546 765 Fit 0.024069 766 Fit 0.022983 767 Fit 0.020912 768 Fit 0.017731 769 Fit 0.013595 770 Fit 0.009277 771 Fit 0.027035 772 Fit 0.026758 773 Fit 0.026044 774 Fit 0.024593 775 Fit 0.022233 776 Fit 0.018838 777 Fit 0.014351 778 Fit 0.008911 779 Fit 0.003276 780 Fit 0.030596 781 Fit 0.030129 782 Fit 0.029556 783 Fit 0.028527 784 Fit 0.026878 785 Fit 0.024471 786 Fit 0.021157 787 Fit 0.016780 788 Fit 0.011195 789 Fit 0.004396 790 Fit -0.002966 791 Fit 0.036401 792 Fit 0.034999 793 Fit 0.033835 794 Fit 0.032468 795 Fit 0.030735 796 Fit 0.028482 797 Fit 0.025539 798 Fit 0.021709 799 Fit 0.016759 800 Fit 0.010417 801 Fit 0.002471 802 Fit -0.006564 803 Fit 0.043264 804 Fit 0.040240 805 Fit 0.037521 806 Fit 0.034883 807 Fit 0.032071 808 Fit 0.028813 809 Fit 0.024836 810 Fit 0.019840 811 Fit 0.013479 812 Fit 0.005436 813 Fit -0.003821 814 Fit 0.050714 815 Fit 0.044610 816 Fit 0.039809 817 Fit 0.035594 818 Fit 0.031358 819 Fit 0.026621 820 Fit 0.020999 821 Fit 0.014266 822 Fit 0.007076 823 Fit 0.060775 824 Fit 0.049964 825 Fit 0.042565 826 Fit 0.036733 827 Fit 0.031410 828 Fit 0.026288 829 Fit 0.022484 830 Fit 0.059089 831 Fit 0.047714 832 Fit 0.040706 833 Fit 0.037479 834 Fit 0.058348 835 Fit 0.017200 836 Fit 0.015839 837 Fit 0.018065 838 Fit 0.018756 839 Fit 0.018028 840 Fit 0.016437 841 Fit 0.014966 842 Fit 0.013554 843 Fit 0.016646 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0.013698 7152 Fit 0.012279 7153 Fit 0.010465 7154 Fit 0.008240 7155 Fit 0.006498 7156 Fit 0.005335 7157 Fit 0.004750 7158 Fit 0.008798 7159 Fit 0.010125 7160 Fit 0.011580 7161 Fit 0.013105 7162 Fit 0.014579 7163 Fit 0.015805 7164 Fit 0.016567 7165 Fit 0.016775 7166 Fit 0.016512 7167 Fit 0.015769 7168 Fit 0.014418 7169 Fit 0.012525 7170 Fit 0.010357 7171 Fit 0.007917 7172 Fit 0.005846 7173 Fit 0.004490 7174 Fit 0.010433 7175 Fit 0.011947 7176 Fit 0.013605 7177 Fit 0.015343 7178 Fit 0.017009 7179 Fit 0.018346 7180 Fit 0.015501 7181 Fit 0.013094 7182 Fit 0.010457 7183 Fit 0.007656 7184 Fit 0.005170 7185 Fit 0.014129 7186 Fit 0.016059 7187 Fit 0.018121 7188 Fit 0.016938 7189 Fit 0.013977 7190 Fit 0.010759 7191 Fit 0.017106 7192 Fit 0.019656 ----------------------------------------------------------------- Leave Link 602 at Mon May 6 12:42:09 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 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 0.020402982 -0.013546345 -0.003416729 2 6 -0.006166688 0.010359078 0.012757269 3 8 0.129970139 -0.038075666 -0.011725227 4 8 0.050281304 -0.036430388 0.017552139 5 6 -0.052357247 0.031507368 -0.014839417 6 7 0.045611517 0.008633784 0.002267830 7 6 0.011931819 0.020329797 -0.008756601 8 16 -0.054311079 -0.015629687 0.001021626 9 7 0.029962633 0.007438710 -0.001237365 10 6 -0.024647202 -0.023198146 -0.000785688 11 6 0.032464094 0.023133928 -0.006055573 12 1 -0.012729389 0.004849365 0.006189316 13 1 -0.003848710 -0.000464563 -0.004768841 14 1 0.003829188 -0.003924382 -0.003131958 15 1 -0.002224721 -0.026239754 0.009000384 16 6 -0.020926302 0.004529011 0.024429715 17 1 -0.030809560 -0.016201922 0.001663194 18 1 0.001252404 0.004602742 0.000088232 19 1 -0.058230242 0.050734176 -0.020869319 20 1 -0.055337272 0.001837777 0.001418388 21 1 0.003762732 0.004402177 -0.000536849 22 6 -0.003606412 0.003247267 -0.010657326 23 1 -0.000751036 0.004516596 0.000502592 24 1 0.001459518 -0.003672149 0.009517115 25 1 -0.004982467 -0.002738774 0.000373095 ------------------------------------------------------------------- Cartesian Forces: Max 0.129970139 RMS 0.025922436 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.197013780 RMS 0.036474140 Search for a local minimum. Step number 1 out of a maximum of 135 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 0.00234 0.00442 0.00495 0.01457 Eigenvalues --- 0.01458 0.01545 0.01694 0.01849 0.01930 Eigenvalues --- 0.02007 0.02048 0.02223 0.02487 0.04355 Eigenvalues --- 0.04627 0.05333 0.05411 0.05487 0.05706 Eigenvalues --- 0.05711 0.05791 0.08400 0.08662 0.12374 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.17855 Eigenvalues --- 0.19628 0.21984 0.23436 0.23472 0.24998 Eigenvalues --- 0.24999 0.24999 0.25000 0.25000 0.26937 Eigenvalues --- 0.28474 0.28501 0.29935 0.33400 0.34776 Eigenvalues --- 0.34824 0.34827 0.34835 0.34848 0.34857 Eigenvalues --- 0.34858 0.34875 0.34892 0.37691 0.39864 Eigenvalues --- 0.42717 0.42761 0.42796 0.44986 0.47472 Eigenvalues --- 0.49870 0.50506 0.56357 0.88874 RFO step: Lambda=-2.98700604D-01 EMin= 2.30155428D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.438 Iteration 1 RMS(Cart)= 0.20734608 RMS(Int)= 0.00911564 Iteration 2 RMS(Cart)= 0.01716835 RMS(Int)= 0.00019458 Iteration 3 RMS(Cart)= 0.00020221 RMS(Int)= 0.00018194 Iteration 4 RMS(Cart)= 0.00000005 RMS(Int)= 0.00018194 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88094 0.00475 0.00000 0.00348 0.00348 2.88441 R2 2.67922 -0.02457 0.00000 -0.01481 -0.01481 2.66441 R3 2.81655 0.04363 0.00000 0.03020 0.03020 2.84675 R4 2.05878 -0.01246 0.00000 -0.00843 -0.00843 2.05035 R5 2.05923 -0.00443 0.00000 -0.00300 -0.00300 2.05623 R6 2.05957 -0.00570 0.00000 -0.00386 -0.00386 2.05571 R7 2.05907 -0.00379 0.00000 -0.00257 -0.00257 2.05651 R8 1.98439 -0.07956 0.00000 -0.04997 -0.04997 1.93442 R9 2.33457 -0.06443 0.00000 -0.02377 -0.02377 2.31080 R10 2.60496 -0.01895 0.00000 -0.01250 -0.01257 2.59238 R11 2.73213 -0.01646 0.00000 -0.01118 -0.01125 2.72088 R12 2.61800 -0.05591 0.00000 -0.03282 -0.03282 2.58517 R13 1.94665 -0.02775 0.00000 -0.01673 -0.01673 1.92992 R14 3.38222 -0.05606 0.00000 -0.04323 -0.04323 3.33899 R15 2.58430 -0.00106 0.00000 0.00015 0.00023 2.58453 R16 2.59444 0.12085 0.00000 0.06791 0.06798 2.66241 R17 2.52704 0.01006 0.00000 0.00626 0.00626 2.53330 R18 2.91056 0.00718 0.00000 0.00539 0.00539 2.91595 R19 1.94721 0.03455 0.00000 0.02085 0.02085 1.96805 R20 2.05962 -0.04940 0.00000 -0.03344 -0.03344 2.02617 R21 2.05850 -0.00360 0.00000 -0.00244 -0.00244 2.05606 R22 2.91113 0.00444 0.00000 0.00334 0.00334 2.91447 R23 2.05943 -0.00398 0.00000 -0.00269 -0.00269 2.05674 R24 2.06040 -0.00500 0.00000 -0.00339 -0.00339 2.05701 R25 2.05906 -0.00334 0.00000 -0.00226 -0.00226 2.05680 A1 1.87530 0.00360 0.00000 0.00789 0.00788 1.88317 A2 1.99050 -0.03266 0.00000 -0.02521 -0.02575 1.96475 A3 1.94471 0.01649 0.00000 0.01118 0.01081 1.95552 A4 1.88895 0.06035 0.00000 0.06091 0.06118 1.95013 A5 1.87496 -0.03181 0.00000 -0.03451 -0.03419 1.84076 A6 1.88544 -0.01461 0.00000 -0.01922 -0.01901 1.86642 A7 1.96287 -0.00698 0.00000 -0.00685 -0.00685 1.95602 A8 1.96292 -0.00004 0.00000 -0.00011 -0.00012 1.96280 A9 1.88714 0.00486 0.00000 0.00488 0.00488 1.89202 A10 1.87478 0.00200 0.00000 0.00148 0.00148 1.87625 A11 1.88659 0.00134 0.00000 0.00139 0.00140 1.88799 A12 1.88688 -0.00099 0.00000 -0.00060 -0.00060 1.88628 A13 1.91134 -0.01335 0.00000 -0.01275 -0.01275 1.89859 A14 2.10628 -0.00262 0.00000 0.00005 0.00013 2.10641 A15 2.19306 0.00549 0.00000 0.00652 0.00660 2.19966 A16 1.98381 -0.00289 0.00000 -0.00661 -0.00678 1.97703 A17 2.20968 0.00712 0.00000 0.00081 0.00073 2.21041 A18 2.03658 -0.00150 0.00000 0.00157 0.00161 2.03818 A19 2.03693 -0.00562 0.00000 -0.00238 -0.00234 2.03459 A20 2.12266 -0.03510 0.00000 -0.02743 -0.02747 2.09518 A21 2.01158 0.04611 0.00000 0.03561 0.03568 2.04726 A22 2.14892 -0.01104 0.00000 -0.00822 -0.00827 2.14066 A23 2.04638 -0.15068 0.00000 -0.12206 -0.12213 1.92425 A24 2.10265 0.19701 0.00000 0.15549 0.15542 2.25807 A25 2.13412 -0.04634 0.00000 -0.03344 -0.03330 2.10082 A26 2.11272 -0.03325 0.00000 -0.02200 -0.02197 2.09075 A27 2.08477 0.15460 0.00000 0.12114 0.12107 2.20584 A28 2.08570 -0.12135 0.00000 -0.09914 -0.09919 1.98651 A29 2.11442 0.02919 0.00000 0.02554 0.02545 2.13988 A30 2.01581 -0.01012 0.00000 -0.00850 -0.00846 2.00734 A31 2.15294 -0.01903 0.00000 -0.01701 -0.01697 2.13596 A32 1.91153 0.02168 0.00000 0.02379 0.02381 1.93534 A33 1.91090 -0.00534 0.00000 -0.00630 -0.00632 1.90459 A34 1.91064 -0.00651 0.00000 -0.00540 -0.00540 1.90524 A35 1.91126 -0.00161 0.00000 -0.00160 -0.00163 1.90963 A36 1.90979 -0.01118 0.00000 -0.01169 -0.01167 1.89812 A37 1.90967 0.00293 0.00000 0.00116 0.00112 1.91079 A38 1.91107 0.00002 0.00000 -0.00012 -0.00012 1.91096 A39 1.91180 0.01210 0.00000 0.01170 0.01168 1.92348 A40 1.91094 0.00427 0.00000 0.00407 0.00405 1.91499 A41 1.91035 -0.00595 0.00000 -0.00565 -0.00566 1.90468 A42 1.91024 -0.00353 0.00000 -0.00367 -0.00367 1.90657 A43 1.90940 -0.00694 0.00000 -0.00635 -0.00638 1.90302 D1 1.62814 -0.02837 0.00000 -0.03253 -0.03245 1.59568 D2 -2.53565 -0.03093 0.00000 -0.03572 -0.03563 -2.57129 D3 -0.45356 -0.02899 0.00000 -0.03331 -0.03322 -0.48679 D4 -2.56146 0.02983 0.00000 0.03398 0.03392 -2.52754 D5 -0.44206 0.02726 0.00000 0.03079 0.03074 -0.41133 D6 1.64003 0.02921 0.00000 0.03320 0.03314 1.67317 D7 -0.42127 -0.00124 0.00000 -0.00177 -0.00180 -0.42307 D8 1.69813 -0.00380 0.00000 -0.00495 -0.00498 1.69314 D9 -2.50297 -0.00186 0.00000 -0.00255 -0.00257 -2.50554 D10 -1.04731 -0.00493 0.00000 -0.00038 0.00012 -1.04719 D11 3.07886 -0.00355 0.00000 -0.01094 -0.01164 3.06722 D12 1.04702 -0.00081 0.00000 -0.00166 -0.00146 1.04556 D13 1.50432 0.00785 0.00000 0.01192 0.01208 1.51641 D14 -1.62901 0.00924 0.00000 0.01369 0.01399 -1.61502 D15 -2.69297 0.03399 0.00000 0.04856 0.04852 -2.64444 D16 0.45688 0.03537 0.00000 0.05034 0.05043 0.50731 D17 -0.66793 0.02048 0.00000 0.02974 0.02942 -0.63851 D18 2.48192 0.02186 0.00000 0.03152 0.03133 2.51325 D19 3.13740 0.00065 0.00000 0.00074 0.00094 3.13834 D20 -0.00443 -0.00099 0.00000 -0.00143 -0.00130 -0.00573 D21 0.00499 0.00400 0.00000 0.00544 0.00553 0.01052 D22 -3.13684 0.00236 0.00000 0.00328 0.00328 -3.13355 D23 -3.14011 0.00190 0.00000 0.00244 0.00260 -3.13751 D24 0.00750 -0.00337 0.00000 -0.00468 -0.00453 0.00297 D25 -0.00824 -0.00170 0.00000 -0.00259 -0.00233 -0.01056 D26 3.13937 -0.00697 0.00000 -0.00970 -0.00946 3.12992 D27 3.13664 -0.00327 0.00000 -0.00436 -0.00436 3.13228 D28 0.00277 0.00137 0.00000 0.00194 0.00191 0.00469 D29 -0.00472 -0.00162 0.00000 -0.00220 -0.00212 -0.00684 D30 -3.13858 0.00302 0.00000 0.00411 0.00415 -3.13443 D31 -3.14117 -0.00894 0.00000 -0.01175 -0.01183 3.13019 D32 -0.00799 -0.00913 0.00000 -0.01261 -0.01252 -0.02051 D33 0.00828 -0.00411 0.00000 -0.00524 -0.00529 0.00299 D34 3.14146 -0.00430 0.00000 -0.00611 -0.00598 3.13548 D35 3.13786 0.00972 0.00000 0.01354 0.01320 -3.13213 D36 -0.00385 0.02005 0.00000 0.02789 0.02831 0.02447 D37 0.00495 0.01159 0.00000 0.01577 0.01557 0.02052 D38 -3.13676 0.02193 0.00000 0.03012 0.03068 -3.10608 D39 0.00377 -0.00586 0.00000 -0.00758 -0.00789 -0.00412 D40 3.13886 -0.00011 0.00000 0.00015 -0.00020 3.13866 D41 -3.13771 -0.01621 0.00000 -0.02195 -0.02121 3.12427 D42 -0.00262 -0.01047 0.00000 -0.01422 -0.01351 -0.01613 D43 0.00060 0.00406 0.00000 0.00414 0.00405 0.00465 D44 -2.09528 -0.00401 0.00000 -0.00465 -0.00474 -2.10003 D45 2.09451 -0.00034 0.00000 0.00109 0.00097 2.09548 D46 -3.14110 0.01424 0.00000 0.01827 0.01839 -3.12271 D47 1.04620 0.00617 0.00000 0.00948 0.00960 1.05580 D48 -1.04719 0.00984 0.00000 0.01523 0.01531 -1.03188 D49 3.14149 -0.00744 0.00000 -0.00876 -0.00876 3.13273 D50 1.04646 -0.00759 0.00000 -0.00895 -0.00894 1.03752 D51 -1.04733 -0.00912 0.00000 -0.01084 -0.01085 -1.05818 D52 -1.04671 0.00829 0.00000 0.00992 0.00991 -1.03680 D53 3.14144 0.00814 0.00000 0.00973 0.00973 -3.13201 D54 1.04765 0.00660 0.00000 0.00784 0.00783 1.05548 D55 1.04734 0.00129 0.00000 0.00154 0.00155 1.04889 D56 -1.04769 0.00114 0.00000 0.00136 0.00137 -1.04632 D57 -3.14147 -0.00040 0.00000 -0.00053 -0.00054 3.14117 Item Value Threshold Converged? Maximum Force 0.197014 0.000450 NO RMS Force 0.036474 0.000300 NO Maximum Displacement 0.972225 0.001800 NO RMS Displacement 0.216284 0.001200 NO Predicted change in Energy=-1.183529D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.111897 -5.004145 2.008420 2 6 0 7.521379 -4.762767 3.458886 3 8 0 7.056370 -6.397490 1.799987 4 8 0 2.739727 -1.964477 0.532899 5 6 0 3.633821 -2.722184 0.881856 6 7 0 4.941232 -2.306776 0.887444 7 6 0 6.031476 -3.046510 1.255717 8 16 0 7.647949 -2.336885 1.181899 9 7 0 5.808896 -4.335081 1.656433 10 6 0 4.498272 -4.849810 1.704255 11 6 0 3.466143 -4.079382 1.332409 12 1 0 7.855212 -4.636301 1.308850 13 1 0 8.599964 -4.670963 3.569387 14 1 0 7.072290 -3.862758 3.873244 15 1 0 5.120795 -1.348292 0.584039 16 6 0 4.085436 -6.260464 2.173977 17 1 0 2.481876 -4.419304 1.349341 18 1 0 7.190044 -5.610725 4.055113 19 1 0 7.981479 -6.795334 1.983701 20 1 0 4.942747 -6.828549 2.477161 21 1 0 3.581055 -6.774373 1.358325 22 6 0 3.125002 -6.133561 3.374001 23 1 0 2.823209 -7.125800 3.704078 24 1 0 2.239791 -5.567858 3.088929 25 1 0 3.625938 -5.620213 4.192648 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.526365 0.000000 3 O 1.409943 2.374973 0.000000 4 O 5.525632 6.265463 6.315894 0.000000 5 C 4.309698 5.090989 5.105358 1.222823 0.000000 6 N 3.639255 4.393333 4.694730 2.255990 1.371830 7 C 2.359281 3.165329 3.546224 3.539614 2.448205 8 S 2.843372 3.329504 4.149760 4.964930 4.043724 9 N 1.506437 2.522766 2.414608 4.037560 2.816444 10 C 2.635786 3.496496 2.991378 3.576269 2.439346 11 C 3.821478 4.629671 4.299068 2.374809 1.439826 12 H 1.085000 2.179471 1.995282 5.823137 4.654708 13 H 2.182194 1.088110 2.914507 7.133561 5.973536 14 H 2.186756 1.087837 3.274677 5.790724 4.698126 15 H 4.399841 5.068154 5.542507 2.460038 2.046306 16 C 3.281038 3.962296 2.997514 4.791615 3.793805 17 H 4.713122 5.474006 5.004228 2.599854 2.103743 18 H 2.136118 1.088256 2.392166 6.745846 5.573145 19 H 1.991267 2.553271 1.023649 7.274474 6.058609 20 H 2.872870 3.446822 2.260925 5.682662 4.595707 21 H 4.002896 4.897455 3.523482 4.952197 4.080446 22 C 4.362994 4.605910 4.242974 5.059799 4.255253 23 H 5.076369 5.264679 4.698473 6.058267 5.292813 24 H 5.022219 5.355390 5.054611 4.446075 3.861652 25 H 4.159603 4.055623 4.254039 5.248194 4.399998 6 7 8 9 10 6 N 0.000000 7 C 1.368014 0.000000 8 S 2.722853 1.766919 0.000000 9 N 2.336281 1.367673 2.756825 0.000000 10 C 2.707474 2.409106 4.063017 1.408889 0.000000 11 C 2.348619 2.766521 4.532819 2.378837 1.340567 12 H 3.754404 2.419974 2.312225 2.097369 3.386883 13 H 5.115517 3.819561 3.471937 3.400333 4.509388 14 H 3.984658 2.932747 3.146905 2.594900 3.507756 15 H 1.021268 2.040694 2.778715 3.247217 3.728679 16 C 4.244903 3.867787 5.391678 2.635387 1.543055 17 H 3.274837 3.806966 5.572505 3.342224 2.092165 18 H 5.099742 3.969143 4.379847 3.047705 3.653924 19 H 5.531007 4.287908 4.542234 3.298495 3.999486 20 H 4.793082 4.120810 5.401006 2.764271 2.170334 21 H 4.693744 4.462292 6.021798 3.316970 2.159837 22 C 4.911817 4.739684 6.298977 3.658942 2.514347 23 H 5.970129 5.738297 7.250739 4.571137 3.461974 24 H 4.772733 4.908639 6.582106 4.038601 2.744750 25 H 4.861403 4.586516 6.001785 3.584586 2.747106 11 12 13 14 15 11 C 0.000000 12 H 4.424324 0.000000 13 H 5.631177 2.380311 0.000000 14 H 4.416680 2.790600 1.754796 0.000000 15 H 3.279753 4.337440 5.661895 4.577089 0.000000 16 C 2.418446 4.194945 4.985443 4.190202 5.265862 17 H 1.041449 5.377868 6.513289 5.267991 4.120764 18 H 4.860614 2.988965 1.762656 1.761343 5.873541 19 H 5.309316 2.265566 2.722109 3.605135 6.309741 20 H 3.323964 3.827970 4.384446 3.908953 5.800761 21 H 2.697564 4.779354 5.873889 5.195290 5.693213 22 C 2.916184 5.374153 5.670324 4.581143 5.887774 23 H 3.913929 6.103751 6.278158 5.360107 6.956518 24 H 2.608613 5.964011 6.441045 5.184164 5.690290 25 H 3.252793 5.212594 5.102006 3.881754 5.788434 16 17 18 19 20 16 C 0.000000 17 H 2.577072 0.000000 18 H 3.687739 5.559454 0.000000 19 H 3.937187 6.024414 2.514044 0.000000 20 H 1.072205 3.623855 3.003893 3.078718 0.000000 21 H 1.088022 2.598966 4.653122 4.444690 1.763218 22 C 1.542269 2.729750 4.154736 5.094727 2.142784 23 H 2.164078 3.603667 4.635507 5.447629 2.467007 24 H 2.173303 2.098559 5.043843 5.974547 3.044597 25 H 2.167046 3.291725 3.566771 5.023057 2.477288 21 22 23 24 25 21 H 0.000000 22 C 2.163695 0.000000 23 H 2.490058 1.088379 0.000000 24 H 2.499931 1.088524 1.773688 0.000000 25 H 3.060635 1.088414 1.774786 1.772664 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 -1.646035 0.954251 -0.256917 2 6 0 -2.152992 1.356707 1.125405 3 8 0 -1.515446 2.126839 -1.028876 4 8 0 2.666432 -2.489794 0.014729 5 6 0 1.787805 -1.642228 -0.055560 6 7 0 0.465111 -1.996339 0.028141 7 6 0 -0.611085 -1.153905 -0.031600 8 16 0 -2.250375 -1.803453 0.081615 9 7 0 -0.355498 0.179511 -0.196553 10 6 0 0.971630 0.646156 -0.273645 11 6 0 1.988714 -0.224713 -0.208478 12 1 0 -2.361419 0.335786 -0.788850 13 1 0 -3.239321 1.336670 1.184320 14 1 0 -1.770699 0.710562 1.912640 15 1 0 0.261358 -2.990231 0.144981 16 6 0 1.418241 2.116512 -0.413680 17 1 0 2.984428 0.075456 -0.263856 18 1 0 -1.820589 2.372352 1.331011 19 1 0 -2.431168 2.578939 -1.098996 20 1 0 0.570542 2.772402 -0.442635 21 1 0 1.993648 2.228529 -1.330277 22 6 0 2.297604 2.495821 0.795220 23 1 0 2.623141 3.529746 0.697274 24 1 0 3.172134 1.849346 0.841599 25 1 0 1.725477 2.385529 1.714541 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7627014 0.7045691 0.4008772 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 933.5035283902 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.07D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.739617 0.004092 -0.011790 0.672912 Ang= 84.60 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.043262972 A.U. after 14 cycles NFock= 14 Conv=0.54D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.015033644 -0.030136940 0.001995846 2 6 -0.007069826 0.007879884 0.010286046 3 8 0.038198791 -0.024838408 0.004647522 4 8 0.033892724 -0.027309716 0.012016785 5 6 -0.039599570 0.026803606 -0.011767968 6 7 0.035780238 0.008971858 0.001654753 7 6 0.013427701 0.016509622 -0.008823890 8 16 -0.044515751 0.002407098 -0.002334645 9 7 0.017429815 0.003970746 -0.004421209 10 6 -0.012591052 -0.006574302 -0.004286551 11 6 0.026814363 0.014738411 -0.005063580 12 1 -0.014292390 0.002764762 0.009151648 13 1 -0.002819296 -0.000665584 -0.003918264 14 1 0.004286814 -0.002295620 -0.002150208 15 1 -0.001760075 -0.019303092 0.006404303 16 6 0.010592443 0.010655033 0.010826282 17 1 -0.020827398 -0.010873517 0.000399179 18 1 -0.000496463 0.002629304 -0.000780857 19 1 -0.060005795 0.030108135 -0.012470140 20 1 0.002552945 -0.004197913 -0.003497620 21 1 0.005833294 0.003119324 0.000378914 22 6 0.001696285 -0.001013321 -0.005221738 23 1 0.000135577 0.003368670 0.000563209 24 1 0.002421076 -0.004784307 0.006778904 25 1 -0.004118094 -0.001933732 -0.000366721 ------------------------------------------------------------------- Cartesian Forces: Max 0.060005795 RMS 0.016278672 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.068169048 RMS 0.013809743 Search for a local minimum. Step number 2 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.48D-02 DEPred=-1.18D-01 R= 2.94D-01 Trust test= 2.94D-01 RLast= 3.29D-01 DXMaxT set to 3.00D-01 ITU= 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00235 0.00442 0.00515 0.01432 Eigenvalues --- 0.01457 0.01510 0.01691 0.01849 0.01930 Eigenvalues --- 0.02013 0.02057 0.02226 0.02501 0.04391 Eigenvalues --- 0.04840 0.05367 0.05446 0.05527 0.05622 Eigenvalues --- 0.05685 0.05775 0.08218 0.08603 0.12359 Eigenvalues --- 0.15968 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16001 0.18001 Eigenvalues --- 0.20133 0.21938 0.23425 0.23502 0.24475 Eigenvalues --- 0.24996 0.24997 0.24999 0.26558 0.28473 Eigenvalues --- 0.28495 0.29932 0.33182 0.34525 0.34759 Eigenvalues --- 0.34807 0.34832 0.34839 0.34850 0.34858 Eigenvalues --- 0.34860 0.34891 0.37571 0.38099 0.42193 Eigenvalues --- 0.42734 0.42749 0.43502 0.47211 0.49137 Eigenvalues --- 0.50208 0.56353 0.87475 1.56591 RFO step: Lambda=-3.33597577D-02 EMin= 2.30154477D-03 Quartic linear search produced a step of -0.28932. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.949 Iteration 1 RMS(Cart)= 0.09301615 RMS(Int)= 0.00313848 Iteration 2 RMS(Cart)= 0.00435615 RMS(Int)= 0.00038949 Iteration 3 RMS(Cart)= 0.00001025 RMS(Int)= 0.00038943 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00038943 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88441 0.00282 -0.00101 0.00869 0.00769 2.89210 R2 2.66441 -0.00319 0.00429 -0.01819 -0.01391 2.65050 R3 2.84675 -0.01545 -0.00874 -0.00161 -0.01035 2.83640 R4 2.05035 -0.01475 0.00244 -0.03338 -0.03094 2.01941 R5 2.05623 -0.00325 0.00087 -0.00837 -0.00750 2.04873 R6 2.05571 -0.00449 0.00112 -0.01131 -0.01019 2.04552 R7 2.05651 -0.00233 0.00074 -0.00636 -0.00562 2.05089 R8 1.93442 -0.06817 0.01446 -0.15111 -0.13665 1.79777 R9 2.31080 -0.04513 0.00688 -0.05615 -0.04927 2.26153 R10 2.59238 0.00734 0.00364 -0.00202 0.00165 2.59403 R11 2.72088 -0.00169 0.00326 -0.01210 -0.00886 2.71202 R12 2.58517 -0.02754 0.00950 -0.06655 -0.05703 2.52814 R13 1.92992 -0.02033 0.00484 -0.04488 -0.04004 1.88987 R14 3.33899 -0.03966 0.01251 -0.12441 -0.11190 3.22709 R15 2.58453 0.00956 -0.00007 0.01128 0.01121 2.59574 R16 2.66241 -0.01408 -0.01967 0.04551 0.02583 2.68824 R17 2.53330 -0.00422 -0.00181 0.00146 -0.00039 2.53292 R18 2.91595 -0.00700 -0.00156 -0.01014 -0.01170 2.90425 R19 1.96805 0.02324 -0.00603 0.05291 0.04688 2.01493 R20 2.02617 0.00328 0.00968 -0.02390 -0.01423 2.01194 R21 2.05606 -0.00446 0.00070 -0.00999 -0.00928 2.04678 R22 2.91447 0.00092 -0.00097 0.00480 0.00383 2.91830 R23 2.05674 -0.00294 0.00078 -0.00755 -0.00677 2.04996 R24 2.05701 -0.00623 0.00098 -0.01397 -0.01299 2.04402 R25 2.05680 -0.00308 0.00065 -0.00742 -0.00676 2.05004 A1 1.88317 0.01650 -0.00228 0.04694 0.04328 1.92646 A2 1.96475 0.00131 0.00745 -0.03081 -0.02279 1.94196 A3 1.95552 -0.00298 -0.00313 0.02260 0.01859 1.97410 A4 1.95013 -0.02113 -0.01770 -0.04266 -0.05998 1.89015 A5 1.84076 0.00401 0.00989 0.01695 0.02533 1.86609 A6 1.86642 0.00170 0.00550 -0.01118 -0.00535 1.86107 A7 1.95602 -0.00585 0.00198 -0.02733 -0.02536 1.93066 A8 1.96280 0.00149 0.00003 0.00490 0.00485 1.96766 A9 1.89202 0.00161 -0.00141 0.01133 0.00990 1.90192 A10 1.87625 0.00102 -0.00043 0.00080 0.00031 1.87656 A11 1.88799 0.00212 -0.00041 0.00859 0.00824 1.89623 A12 1.88628 -0.00020 0.00017 0.00278 0.00288 1.88916 A13 1.89859 -0.00735 0.00369 -0.03483 -0.03114 1.86745 A14 2.10641 -0.00026 -0.00004 -0.00141 -0.00148 2.10493 A15 2.19966 0.00255 -0.00191 0.01062 0.00868 2.20834 A16 1.97703 -0.00228 0.00196 -0.00917 -0.00715 1.96987 A17 2.21041 0.00621 -0.00021 0.01738 0.01724 2.22765 A18 2.03818 -0.00131 -0.00046 -0.00101 -0.00152 2.03667 A19 2.03459 -0.00491 0.00068 -0.01637 -0.01573 2.01886 A20 2.09518 -0.03224 0.00795 -0.09830 -0.09049 2.00469 A21 2.04726 -0.00326 -0.01032 0.02056 0.01015 2.05741 A22 2.14066 0.03553 0.00239 0.07811 0.08031 2.22097 A23 1.92425 0.05607 0.03534 0.03206 0.06740 1.99166 A24 2.25807 -0.05563 -0.04497 -0.00162 -0.04659 2.21148 A25 2.10082 -0.00045 0.00963 -0.03048 -0.02086 2.07996 A26 2.09075 0.00559 0.00636 -0.00512 0.00119 2.09194 A27 2.20584 -0.03600 -0.03503 0.01557 -0.01948 2.18636 A28 1.98651 0.03042 0.02870 -0.01029 0.01838 2.00489 A29 2.13988 -0.00583 -0.00736 0.00667 -0.00070 2.13918 A30 2.00734 0.00614 0.00245 0.01097 0.01343 2.02077 A31 2.13596 -0.00031 0.00491 -0.01764 -0.01273 2.12324 A32 1.93534 -0.00449 -0.00689 0.00060 -0.00650 1.92884 A33 1.90459 -0.00777 0.00183 -0.02821 -0.02706 1.87753 A34 1.90524 0.01597 0.00156 0.04315 0.04453 1.94977 A35 1.90963 -0.00016 0.00047 -0.01895 -0.01869 1.89095 A36 1.89812 -0.00390 0.00338 -0.01349 -0.01009 1.88802 A37 1.91079 0.00047 -0.00032 0.01751 0.01737 1.92816 A38 1.91096 0.00007 0.00003 -0.00151 -0.00147 1.90948 A39 1.92348 0.00778 -0.00338 0.03686 0.03327 1.95675 A40 1.91499 0.00328 -0.00117 0.01461 0.01325 1.92824 A41 1.90468 -0.00411 0.00164 -0.01894 -0.01733 1.88735 A42 1.90657 -0.00268 0.00106 -0.01473 -0.01364 1.89293 A43 1.90302 -0.00447 0.00185 -0.01694 -0.01546 1.88756 D1 1.59568 0.00888 0.00939 0.02465 0.03447 1.63016 D2 -2.57129 0.00703 0.01031 0.00930 0.02007 -2.55121 D3 -0.48679 0.00876 0.00961 0.02328 0.03340 -0.45339 D4 -2.52754 -0.00530 -0.00981 -0.01652 -0.02651 -2.55405 D5 -0.41133 -0.00715 -0.00889 -0.03187 -0.04091 -0.45224 D6 1.67317 -0.00541 -0.00959 -0.01789 -0.02759 1.64558 D7 -0.42307 -0.00431 0.00052 -0.03676 -0.03659 -0.45966 D8 1.69314 -0.00616 0.00144 -0.05211 -0.05099 1.64215 D9 -2.50554 -0.00442 0.00074 -0.03813 -0.03767 -2.54321 D10 -1.04719 -0.00325 -0.00003 -0.03955 -0.04056 -1.08775 D11 3.06722 -0.00251 0.00337 -0.00532 -0.00160 3.06562 D12 1.04556 0.00374 0.00042 0.01952 0.02056 1.06612 D13 1.51641 -0.00349 -0.00350 -0.02976 -0.03390 1.48251 D14 -1.61502 -0.00323 -0.00405 -0.02508 -0.02960 -1.64462 D15 -2.64444 0.00347 -0.01404 -0.02221 -0.03594 -2.68039 D16 0.50731 0.00373 -0.01459 -0.01752 -0.03165 0.47567 D17 -0.63851 -0.00176 -0.00851 -0.03066 -0.03909 -0.67760 D18 2.51325 -0.00150 -0.00906 -0.02598 -0.03479 2.47846 D19 3.13834 0.00076 -0.00027 0.01052 0.01018 -3.13467 D20 -0.00573 0.00078 0.00038 0.00954 0.00964 0.00391 D21 0.01052 0.00072 -0.00160 0.00786 0.00589 0.01641 D22 -3.13355 0.00074 -0.00095 0.00689 0.00535 -3.12820 D23 -3.13751 0.00002 -0.00075 0.00090 -0.00005 -3.13756 D24 0.00297 0.00015 0.00131 0.00251 0.00370 0.00667 D25 -0.01056 0.00003 0.00067 0.00360 0.00444 -0.00613 D26 3.12992 0.00016 0.00274 0.00520 0.00819 3.13811 D27 3.13228 0.00198 0.00126 0.02095 0.02072 -3.13019 D28 0.00469 -0.00056 -0.00055 -0.00805 -0.00840 -0.00371 D29 -0.00684 0.00195 0.00061 0.02191 0.02124 0.01439 D30 -3.13443 -0.00058 -0.00120 -0.00710 -0.00788 3.14087 D31 3.13019 0.00028 0.00342 0.00158 0.00540 3.13559 D32 -0.02051 -0.00036 0.00362 -0.00246 0.00123 -0.01928 D33 0.00299 -0.00173 0.00153 -0.02670 -0.02622 -0.02323 D34 3.13548 -0.00238 0.00173 -0.03074 -0.03040 3.10508 D35 -3.13213 0.00102 -0.00382 0.00791 0.00388 -3.12825 D36 0.02447 -0.00003 -0.00819 -0.00587 -0.01417 0.01030 D37 0.02052 0.00107 -0.00450 0.01268 0.00794 0.02846 D38 -3.10608 0.00002 -0.00888 -0.00111 -0.01010 -3.11618 D39 -0.00412 -0.00087 0.00228 -0.01356 -0.01106 -0.01519 D40 3.13866 -0.00102 0.00006 -0.01530 -0.01505 3.12361 D41 3.12427 -0.00047 0.00614 -0.00122 0.00488 3.12915 D42 -0.01613 -0.00062 0.00391 -0.00296 0.00089 -0.01524 D43 0.00465 -0.00459 -0.00117 -0.04336 -0.04445 -0.03980 D44 -2.10003 0.00346 0.00137 -0.00193 -0.00097 -2.10099 D45 2.09548 -0.00199 -0.00028 -0.03210 -0.03221 2.06327 D46 -3.12271 -0.00544 -0.00532 -0.05645 -0.06159 3.09888 D47 1.05580 0.00262 -0.00278 -0.01503 -0.01811 1.03769 D48 -1.03188 -0.00284 -0.00443 -0.04520 -0.04935 -1.08123 D49 3.13273 0.00015 0.00253 0.00223 0.00498 3.13771 D50 1.03752 0.00034 0.00259 0.00363 0.00650 1.04402 D51 -1.05818 -0.00109 0.00314 -0.00780 -0.00456 -1.06274 D52 -1.03680 0.00197 -0.00287 0.02088 0.01808 -1.01872 D53 -3.13201 0.00216 -0.00282 0.02228 0.01960 -3.11241 D54 1.05548 0.00073 -0.00226 0.01085 0.00854 1.06401 D55 1.04889 -0.00028 -0.00045 0.00015 -0.00053 1.04836 D56 -1.04632 -0.00009 -0.00040 0.00155 0.00099 -1.04532 D57 3.14117 -0.00152 0.00016 -0.00988 -0.01007 3.13110 Item Value Threshold Converged? Maximum Force 0.068169 0.000450 NO RMS Force 0.013810 0.000300 NO Maximum Displacement 0.507946 0.001800 NO RMS Displacement 0.092291 0.001200 NO Predicted change in Energy=-2.166072D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.098115 -5.035978 2.025287 2 6 0 7.486639 -4.753480 3.478378 3 8 0 6.886459 -6.409309 1.834484 4 8 0 2.799765 -1.951745 0.497432 5 6 0 3.662473 -2.700531 0.854169 6 7 0 4.974481 -2.297266 0.872126 7 6 0 6.044487 -3.013847 1.234622 8 16 0 7.531214 -2.178181 1.147703 9 7 0 5.841132 -4.308361 1.646540 10 6 0 4.514950 -4.820913 1.693388 11 6 0 3.488029 -4.051341 1.306395 12 1 0 7.847675 -4.736575 1.324944 13 1 0 8.564968 -4.741759 3.589879 14 1 0 7.111899 -3.802404 3.834336 15 1 0 5.160249 -1.359405 0.578759 16 6 0 4.124992 -6.232188 2.160493 17 1 0 2.484568 -4.411767 1.314454 18 1 0 7.080906 -5.536644 4.110734 19 1 0 7.712686 -6.845554 2.013600 20 1 0 4.993068 -6.795539 2.410716 21 1 0 3.625967 -6.723852 1.334439 22 6 0 3.204448 -6.189856 3.399710 23 1 0 2.949853 -7.202359 3.694324 24 1 0 2.284909 -5.654315 3.205766 25 1 0 3.708070 -5.706831 4.230322 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.530434 0.000000 3 O 1.402584 2.409226 0.000000 4 O 5.506600 6.221137 6.193437 0.000000 5 C 4.316186 5.072013 5.011002 1.196749 0.000000 6 N 3.652416 4.374526 4.635805 2.233645 1.372702 7 C 2.413357 3.184425 3.549353 3.492812 2.432468 8 S 3.020717 3.473643 4.334722 4.781291 3.914865 9 N 1.500960 2.502290 2.354149 4.015470 2.821262 10 C 2.613264 3.467228 2.857791 3.550253 2.434548 11 C 3.810385 4.604280 4.169919 2.352962 1.435140 12 H 1.068627 2.183554 1.995396 5.824213 4.677930 13 H 2.164756 1.084141 2.946103 7.112311 5.973707 14 H 2.189647 1.082443 3.293355 5.757983 4.689783 15 H 4.400563 5.033848 5.482533 2.435029 2.029237 16 C 3.207594 3.901803 2.786280 4.779560 3.793812 17 H 4.709536 5.460773 4.861815 2.611242 2.127828 18 H 2.144773 1.085283 2.445541 6.650987 5.507671 19 H 1.911126 2.563872 0.951337 7.098234 5.910137 20 H 2.770529 3.395261 2.016469 5.650980 4.578473 21 H 3.921990 4.835662 3.313577 4.914895 4.052049 22 C 4.287320 4.517358 4.006907 5.152530 4.343380 23 H 4.968599 5.160046 4.425473 6.149113 5.370360 24 H 4.994279 5.286191 4.860524 4.616186 4.019021 25 H 4.099344 3.968864 4.041742 5.372164 4.520876 6 7 8 9 10 6 N 0.000000 7 C 1.337836 0.000000 8 S 2.574297 1.707703 0.000000 9 N 2.322779 1.373606 2.764576 0.000000 10 C 2.693406 2.411522 4.047179 1.422555 0.000000 11 C 2.339852 2.759895 4.458840 2.391412 1.340363 12 H 3.796119 2.495484 2.583978 2.076778 3.354091 13 H 5.123800 3.858204 3.688469 3.373971 4.472761 14 H 3.950783 2.918853 3.167321 2.580173 3.516414 15 H 1.000078 1.987262 2.572074 3.209376 3.693352 16 C 4.226717 3.859976 5.391017 2.628763 1.536864 17 H 3.296428 3.825385 5.521354 3.374536 2.105574 18 H 5.041744 3.963671 4.501289 3.019598 3.597216 19 H 5.430254 4.251079 4.750482 3.174082 3.798318 20 H 4.754163 4.097544 5.418245 2.736646 2.154601 21 H 4.650472 4.429823 5.995744 3.292258 2.130800 22 C 4.967288 4.779169 6.315534 3.683169 2.550089 23 H 6.010313 5.759386 7.260614 4.574729 3.482034 24 H 4.893818 4.999191 6.621393 4.109684 2.820448 25 H 4.950395 4.656739 6.047341 3.630647 2.805697 11 12 13 14 15 11 C 0.000000 12 H 4.413209 0.000000 13 H 5.609482 2.375808 0.000000 14 H 4.425482 2.776885 1.747442 0.000000 15 H 3.251506 4.379992 5.665622 4.513974 0.000000 16 C 2.427200 4.097972 4.896724 4.198478 5.226629 17 H 1.066257 5.372944 6.500593 5.304085 4.125218 18 H 4.793664 2.998111 1.762263 1.756401 5.797680 19 H 5.114245 2.222669 2.763511 3.596774 6.218644 20 H 3.318930 3.683343 4.285663 3.933827 5.738952 21 H 2.676215 4.666067 5.780089 5.189997 5.630485 22 C 3.005933 5.289257 5.555927 4.599674 5.925890 23 H 3.990082 5.973501 6.131475 5.376051 6.980882 24 H 2.761274 5.943409 6.357629 5.208120 5.797844 25 H 3.367256 5.149655 4.993094 3.920420 5.860276 16 17 18 19 20 16 C 0.000000 17 H 2.592432 0.000000 18 H 3.608968 5.496440 0.000000 19 H 3.642711 5.809074 2.551541 0.000000 20 H 1.064675 3.629977 2.972196 2.748913 0.000000 21 H 1.083109 2.578551 4.588451 4.144556 1.741401 22 C 1.544296 2.833393 3.994893 4.761875 2.131695 23 H 2.162133 3.696982 4.473657 5.063272 2.447015 24 H 2.193727 2.271751 4.882049 5.683403 3.044441 25 H 2.175779 3.417079 3.379244 4.716725 2.479410 21 22 23 24 25 21 H 0.000000 22 C 2.174436 0.000000 23 H 2.501031 1.084795 0.000000 24 H 2.538544 1.081651 1.754218 0.000000 25 H 3.070376 1.084834 1.760339 1.754383 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 0.358162 1.896039 -0.290246 2 6 0 0.518197 2.507057 1.103767 3 8 0 1.545066 2.036499 -1.024257 4 8 0 -1.383578 -3.318049 0.029554 5 6 0 -0.903548 -2.224290 -0.044408 6 7 0 -1.697613 -1.106599 0.022959 7 6 0 -1.314786 0.173154 -0.051063 8 16 0 -2.580912 1.310515 0.088877 9 7 0 0.024347 0.434917 -0.209170 10 6 0 0.941547 -0.651131 -0.263089 11 6 0 0.489077 -1.910846 -0.192643 12 1 0 -0.418016 2.355780 -0.863090 13 1 0 0.177116 3.536121 1.111011 14 1 0 -0.040974 1.973110 1.861335 15 1 0 -2.679195 -1.259200 0.138568 16 6 0 2.466224 -0.518878 -0.403873 17 1 0 1.149313 -2.746363 -0.246533 18 1 0 1.567753 2.487432 1.379243 19 1 0 1.702393 2.969557 -1.122713 20 1 0 2.745046 0.504514 -0.495847 21 1 0 2.756804 -1.034199 -1.311140 22 6 0 3.206130 -1.112076 0.814940 23 1 0 4.276310 -1.002776 0.675130 24 1 0 2.989887 -2.163178 0.950560 25 1 0 2.923100 -0.589040 1.722239 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7495555 0.7300090 0.4050976 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 938.5423510245 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.06D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.826527 0.004062 0.004301 0.562866 Ang= 68.51 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.063323406 A.U. after 14 cycles NFock= 14 Conv=0.51D-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 -0.015021091 -0.011146558 0.006298455 2 6 -0.000352495 0.001341856 0.001877610 3 8 0.006872040 0.003042354 -0.002296851 4 8 0.000394066 -0.000232128 -0.000189885 5 6 -0.011346577 0.004752178 -0.002557369 6 7 0.000630308 0.002003557 -0.001096308 7 6 0.013438418 0.002910304 0.001211294 8 16 -0.004834986 -0.013567629 0.003378429 9 7 0.001159009 0.004724700 -0.005533031 10 6 -0.004286614 -0.000575196 -0.002774063 11 6 0.007010729 -0.001396671 -0.000068308 12 1 0.001110993 0.009828198 0.000104117 13 1 0.000282432 -0.001070961 -0.000287285 14 1 0.002006593 0.000088351 -0.002621645 15 1 -0.000498980 -0.001377422 0.000400465 16 6 0.005552716 0.008307991 0.011592505 17 1 -0.002017173 -0.003418134 0.000764518 18 1 -0.000712857 0.000577159 -0.000202560 19 1 -0.003122439 -0.000295276 -0.002207676 20 1 0.001529525 -0.005322311 -0.001327000 21 1 0.000686408 0.000683500 -0.000394276 22 6 0.002597393 0.000646389 -0.006039762 23 1 0.000386669 0.000098143 0.000352998 24 1 -0.000872038 -0.000188101 0.001049192 25 1 -0.000592048 -0.000414293 0.000566435 ------------------------------------------------------------------- Cartesian Forces: Max 0.015021091 RMS 0.004648141 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.017207778 RMS 0.003866743 Search for a local minimum. Step number 3 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 3 DE= -2.01D-02 DEPred=-2.17D-02 R= 9.26D-01 TightC=F SS= 1.41D+00 RLast= 3.41D-01 DXNew= 5.0454D-01 1.0234D+00 Trust test= 9.26D-01 RLast= 3.41D-01 DXMaxT set to 5.05D-01 ITU= 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00235 0.00441 0.00520 0.01424 Eigenvalues --- 0.01457 0.01516 0.01689 0.01852 0.01930 Eigenvalues --- 0.02036 0.02061 0.02217 0.02502 0.04079 Eigenvalues --- 0.04863 0.05329 0.05365 0.05451 0.05618 Eigenvalues --- 0.05640 0.05772 0.08313 0.09063 0.12674 Eigenvalues --- 0.15855 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16001 0.16187 0.17706 Eigenvalues --- 0.19973 0.21945 0.23338 0.23486 0.24459 Eigenvalues --- 0.24996 0.24998 0.25192 0.28393 0.28481 Eigenvalues --- 0.29858 0.30427 0.33177 0.34692 0.34784 Eigenvalues --- 0.34804 0.34835 0.34848 0.34855 0.34858 Eigenvalues --- 0.34889 0.35304 0.37406 0.41632 0.42381 Eigenvalues --- 0.42734 0.42795 0.46581 0.47203 0.49232 Eigenvalues --- 0.56335 0.58826 0.87823 1.37531 RFO step: Lambda=-1.21504697D-02 EMin= 2.30213104D-03 Quartic linear search produced a step of -0.04038. Iteration 1 RMS(Cart)= 0.15772350 RMS(Int)= 0.00856979 Iteration 2 RMS(Cart)= 0.01606944 RMS(Int)= 0.00034818 Iteration 3 RMS(Cart)= 0.00020661 RMS(Int)= 0.00032482 Iteration 4 RMS(Cart)= 0.00000006 RMS(Int)= 0.00032482 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89210 -0.00069 -0.00031 -0.00106 -0.00137 2.89073 R2 2.65050 -0.00264 0.00056 -0.00579 -0.00522 2.64528 R3 2.83640 -0.00846 0.00042 -0.03013 -0.02972 2.80669 R4 2.01941 0.00346 0.00125 0.00411 0.00536 2.02477 R5 2.04873 0.00024 0.00030 -0.00040 -0.00010 2.04863 R6 2.04552 -0.00148 0.00041 -0.00528 -0.00487 2.04065 R7 2.05089 -0.00027 0.00023 -0.00141 -0.00118 2.04970 R8 1.79777 -0.00299 0.00552 -0.02591 -0.02039 1.77738 R9 2.26153 -0.00037 0.00199 -0.00552 -0.00353 2.25800 R10 2.59403 0.01045 -0.00007 0.02403 0.02395 2.61798 R11 2.71202 0.00644 0.00036 0.01681 0.01716 2.72918 R12 2.52814 0.00801 0.00230 0.01051 0.01278 2.54092 R13 1.88987 -0.00150 0.00162 -0.00836 -0.00674 1.88313 R14 3.22709 -0.01102 0.00452 -0.05304 -0.04852 3.17857 R15 2.59574 -0.01227 -0.00045 -0.02083 -0.02130 2.57444 R16 2.68824 -0.01041 -0.00104 -0.02845 -0.02945 2.65879 R17 2.53292 -0.00220 0.00002 -0.00539 -0.00535 2.52757 R18 2.90425 -0.00409 0.00047 -0.01617 -0.01570 2.88855 R19 2.01493 0.00306 -0.00189 0.01234 0.01045 2.02538 R20 2.01194 0.00375 0.00057 0.01256 0.01313 2.02508 R21 2.04678 -0.00033 0.00037 -0.00233 -0.00196 2.04482 R22 2.91830 -0.00417 -0.00015 -0.01291 -0.01307 2.90523 R23 2.04996 -0.00009 0.00027 -0.00115 -0.00088 2.04909 R24 2.04402 0.00046 0.00052 -0.00088 -0.00036 2.04367 R25 2.05004 -0.00003 0.00027 -0.00107 -0.00079 2.04925 A1 1.92646 0.00302 -0.00175 0.04513 0.04312 1.96957 A2 1.94196 0.00211 0.00092 0.01428 0.01442 1.95639 A3 1.97410 -0.00228 -0.00075 -0.02697 -0.02803 1.94607 A4 1.89015 -0.00085 0.00242 -0.00245 -0.00097 1.88919 A5 1.86609 0.00081 -0.00102 0.01624 0.01547 1.88157 A6 1.86107 -0.00302 0.00022 -0.04826 -0.04830 1.81277 A7 1.93066 -0.00054 0.00102 -0.00938 -0.00842 1.92224 A8 1.96766 -0.00206 -0.00020 -0.01114 -0.01138 1.95627 A9 1.90192 0.00045 -0.00040 0.00678 0.00641 1.90833 A10 1.87656 0.00069 -0.00001 -0.00139 -0.00153 1.87503 A11 1.89623 0.00028 -0.00033 0.00479 0.00448 1.90071 A12 1.88916 0.00128 -0.00012 0.01117 0.01108 1.90024 A13 1.86745 0.00364 0.00126 0.01474 0.01599 1.88345 A14 2.10493 0.00207 0.00006 0.00384 0.00391 2.10884 A15 2.20834 0.00238 -0.00035 0.00610 0.00577 2.21411 A16 1.96987 -0.00446 0.00029 -0.01004 -0.00984 1.96003 A17 2.22765 -0.00185 -0.00070 0.00133 0.00053 2.22818 A18 2.03667 0.00071 0.00006 -0.00058 -0.00047 2.03620 A19 2.01886 0.00114 0.00064 -0.00077 -0.00008 2.01878 A20 2.00469 0.01721 0.00365 0.04783 0.05138 2.05607 A21 2.05741 -0.00258 -0.00041 -0.01353 -0.01419 2.04321 A22 2.22097 -0.01461 -0.00324 -0.03387 -0.03718 2.18379 A23 1.99166 -0.00431 -0.00272 0.01957 0.01687 2.00853 A24 2.21148 -0.00364 0.00188 -0.04224 -0.04036 2.17112 A25 2.07996 0.00795 0.00084 0.02259 0.02338 2.10335 A26 2.09194 0.00128 -0.00005 0.00278 0.00245 2.09439 A27 2.18636 -0.01093 0.00079 -0.05827 -0.05774 2.12861 A28 2.00489 0.00966 -0.00074 0.05560 0.05448 2.05937 A29 2.13918 -0.00037 0.00003 -0.00415 -0.00417 2.13500 A30 2.02077 0.00284 -0.00054 0.01882 0.01825 2.03902 A31 2.12324 -0.00247 0.00051 -0.01464 -0.01414 2.10910 A32 1.92884 0.00175 0.00026 0.02270 0.02261 1.95144 A33 1.87753 -0.00172 0.00109 -0.02494 -0.02370 1.85383 A34 1.94977 0.00080 -0.00180 0.01679 0.01471 1.96448 A35 1.89095 -0.00112 0.00075 -0.02106 -0.02014 1.87081 A36 1.88802 -0.00009 0.00041 0.00850 0.00841 1.89644 A37 1.92816 0.00033 -0.00070 -0.00311 -0.00373 1.92443 A38 1.90948 -0.00048 0.00006 -0.00458 -0.00451 1.90497 A39 1.95675 0.00177 -0.00134 0.01706 0.01567 1.97242 A40 1.92824 0.00088 -0.00053 0.00700 0.00642 1.93466 A41 1.88735 -0.00060 0.00070 -0.00599 -0.00528 1.88208 A42 1.89293 -0.00068 0.00055 -0.00964 -0.00909 1.88385 A43 1.88756 -0.00100 0.00062 -0.00493 -0.00440 1.88317 D1 1.63016 -0.00076 -0.00139 -0.05145 -0.05327 1.57688 D2 -2.55121 -0.00167 -0.00081 -0.06746 -0.06862 -2.61983 D3 -0.45339 -0.00106 -0.00135 -0.05589 -0.05764 -0.51103 D4 -2.55405 0.00157 0.00107 -0.01503 -0.01382 -2.56787 D5 -0.45224 0.00066 0.00165 -0.03104 -0.02916 -0.48140 D6 1.64558 0.00127 0.00111 -0.01947 -0.01818 1.62741 D7 -0.45966 -0.00240 0.00148 -0.08585 -0.08419 -0.54386 D8 1.64215 -0.00330 0.00206 -0.10185 -0.09954 1.54261 D9 -2.54321 -0.00270 0.00152 -0.09029 -0.08855 -2.63176 D10 -1.08775 0.00072 0.00164 -0.01701 -0.01554 -1.10330 D11 3.06562 -0.00322 0.00006 -0.06115 -0.06134 3.00428 D12 1.06612 0.00029 -0.00083 -0.01216 -0.01257 1.05355 D13 1.48251 0.00038 0.00137 0.15447 0.15603 1.63854 D14 -1.64462 0.00051 0.00120 0.16107 0.16239 -1.48223 D15 -2.68039 0.00490 0.00145 0.21787 0.21917 -2.46122 D16 0.47567 0.00502 0.00128 0.22446 0.22553 0.70120 D17 -0.67760 0.00391 0.00158 0.21128 0.21291 -0.46469 D18 2.47846 0.00404 0.00140 0.21787 0.21927 2.69773 D19 -3.13467 0.00012 -0.00041 0.00424 0.00362 -3.13105 D20 0.00391 -0.00004 -0.00039 -0.00137 -0.00209 0.00182 D21 0.01641 0.00033 -0.00024 0.01509 0.01456 0.03097 D22 -3.12820 0.00017 -0.00022 0.00947 0.00886 -3.11934 D23 -3.13756 -0.00004 0.00000 -0.00317 -0.00332 -3.14088 D24 0.00667 -0.00041 -0.00015 -0.01676 -0.01726 -0.01058 D25 -0.00613 -0.00027 -0.00018 -0.01481 -0.01509 -0.02122 D26 3.13811 -0.00064 -0.00033 -0.02840 -0.02903 3.10908 D27 -3.13019 -0.00054 -0.00084 -0.01564 -0.01739 3.13560 D28 -0.00371 0.00035 0.00034 0.01270 0.01302 0.00931 D29 0.01439 -0.00038 -0.00086 -0.01007 -0.01174 0.00266 D30 3.14087 0.00051 0.00032 0.01827 0.01868 -3.12364 D31 3.13559 -0.00106 -0.00022 -0.03446 -0.03475 3.10084 D32 -0.01928 -0.00127 -0.00005 -0.04110 -0.04142 -0.06070 D33 -0.02323 0.00029 0.00106 -0.00133 -0.00098 -0.02421 D34 3.10508 0.00008 0.00123 -0.00797 -0.00764 3.09744 D35 -3.12825 0.00121 -0.00016 0.03465 0.03474 -3.09351 D36 0.01030 0.00245 0.00057 0.08263 0.08215 0.09245 D37 0.02846 0.00143 -0.00032 0.04160 0.04152 0.06997 D38 -3.11618 0.00268 0.00041 0.08958 0.08892 -3.02726 D39 -0.01519 -0.00050 0.00045 -0.01213 -0.01107 -0.02626 D40 3.12361 -0.00010 0.00061 0.00230 0.00346 3.12707 D41 3.12915 -0.00159 -0.00020 -0.05512 -0.05644 3.07271 D42 -0.01524 -0.00119 -0.00004 -0.04069 -0.04190 -0.05715 D43 -0.03980 -0.00197 0.00179 -0.06694 -0.06532 -0.10512 D44 -2.10099 -0.00058 0.00004 -0.03945 -0.03933 -2.14032 D45 2.06327 -0.00035 0.00130 -0.02944 -0.02794 2.03533 D46 3.09888 -0.00079 0.00249 -0.02114 -0.01890 3.07998 D47 1.03769 0.00060 0.00073 0.00635 0.00709 1.04478 D48 -1.08123 0.00082 0.00199 0.01635 0.01848 -1.06276 D49 3.13771 -0.00104 -0.00020 -0.01168 -0.01195 3.12576 D50 1.04402 -0.00110 -0.00026 -0.01201 -0.01231 1.03172 D51 -1.06274 -0.00163 0.00018 -0.02212 -0.02203 -1.08477 D52 -1.01872 0.00159 -0.00073 0.03304 0.03237 -0.98636 D53 -3.11241 0.00153 -0.00079 0.03271 0.03201 -3.08040 D54 1.06401 0.00100 -0.00034 0.02260 0.02228 1.08630 D55 1.04836 0.00038 0.00002 0.01084 0.01087 1.05923 D56 -1.04532 0.00031 -0.00004 0.01051 0.01051 -1.03482 D57 3.13110 -0.00022 0.00041 0.00039 0.00078 3.13188 Item Value Threshold Converged? Maximum Force 0.017208 0.000450 NO RMS Force 0.003867 0.000300 NO Maximum Displacement 0.584837 0.001800 NO RMS Displacement 0.165201 0.001200 NO Predicted change in Energy=-8.267453D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.046698 -5.013154 2.022755 2 6 0 7.306100 -4.935346 3.528302 3 8 0 6.924094 -6.328428 1.559594 4 8 0 2.791403 -1.983160 0.350649 5 6 0 3.652107 -2.708517 0.751628 6 7 0 4.969071 -2.282630 0.810735 7 6 0 6.040808 -2.981475 1.224187 8 16 0 7.538771 -2.217463 1.184164 9 7 0 5.826196 -4.265136 1.626814 10 6 0 4.522038 -4.791181 1.671645 11 6 0 3.489771 -4.057318 1.241687 12 1 0 7.829751 -4.540822 1.464401 13 1 0 8.372311 -4.943418 3.724208 14 1 0 6.904065 -4.032509 3.963461 15 1 0 5.152142 -1.351693 0.505985 16 6 0 4.226455 -6.172741 2.255091 17 1 0 2.492441 -4.449509 1.257368 18 1 0 6.852799 -5.791799 4.015629 19 1 0 7.745212 -6.763752 1.704118 20 1 0 5.125105 -6.697285 2.511334 21 1 0 3.740975 -6.735375 1.468558 22 6 0 3.323806 -6.107264 3.497861 23 1 0 3.137198 -7.113829 3.855318 24 1 0 2.367099 -5.642820 3.301492 25 1 0 3.805584 -5.553376 4.296016 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.529711 0.000000 3 O 1.399820 2.441806 0.000000 4 O 5.484919 6.260621 6.117356 0.000000 5 C 4.295389 5.101015 4.945955 1.194880 0.000000 6 N 3.638858 4.459123 4.555369 2.245795 1.385375 7 C 2.403590 3.275290 3.477756 3.509748 2.450247 8 S 2.959942 3.596666 4.173585 4.825676 3.941367 9 N 1.485235 2.500990 2.338177 4.005744 2.813482 10 C 2.558605 3.349472 2.854043 3.553183 2.437355 11 C 3.765026 4.534745 4.129599 2.363006 1.444222 12 H 1.071461 2.165536 2.006193 5.759082 4.617152 13 H 2.158022 1.084090 2.949770 7.161743 6.009272 14 H 2.179071 1.079866 3.324187 5.845188 4.758577 15 H 4.392748 5.159119 5.386818 2.448667 2.037502 16 C 3.058168 3.554775 2.790199 4.820671 3.819834 17 H 4.652394 5.344576 4.822990 2.644692 2.152128 18 H 2.148355 1.084657 2.514987 6.665789 5.514051 19 H 1.911556 2.619834 0.940547 7.016136 5.840007 20 H 2.601446 2.982514 2.068387 5.686624 4.601800 21 H 3.768419 4.493636 3.210318 4.973425 4.091146 22 C 4.151258 4.151264 4.094859 5.215039 4.381902 23 H 4.801594 4.715132 4.497531 6.223025 5.413391 24 H 4.891860 4.994567 4.926508 4.720235 4.094287 25 H 3.995544 3.636614 4.220642 5.416726 4.547468 6 7 8 9 10 6 N 0.000000 7 C 1.344599 0.000000 8 S 2.597510 1.682025 0.000000 9 N 2.308891 1.362334 2.705885 0.000000 10 C 2.689578 2.404562 3.995290 1.406969 0.000000 11 C 2.350226 2.768670 4.447783 2.377056 1.337533 12 H 3.702729 2.385285 2.358220 2.028944 3.323642 13 H 5.210582 3.941476 3.818042 3.367763 4.365868 14 H 4.092183 3.058351 3.379606 2.583763 3.391468 15 H 0.996510 1.990410 2.627828 3.193550 3.685902 16 C 4.215520 3.812981 5.269018 2.567657 1.528557 17 H 3.320925 3.840200 5.518409 3.359228 2.099435 18 H 5.112147 4.043439 4.611250 3.015136 3.453686 19 H 5.346545 4.176236 4.580580 3.151457 3.779014 20 H 4.733451 4.037636 5.258894 2.681278 2.168410 21 H 4.665607 4.409163 5.908948 3.236553 2.105040 22 C 4.955337 4.724643 6.184633 3.627149 2.550078 23 H 5.997143 5.694748 7.105160 4.506883 3.475759 24 H 4.925952 4.989398 6.554567 4.082636 2.832923 25 H 4.919214 4.587705 5.894796 3.587070 2.825167 11 12 13 14 15 11 C 0.000000 12 H 4.372506 0.000000 13 H 5.548629 2.358640 0.000000 14 H 4.366471 2.713039 1.744347 0.000000 15 H 3.259623 4.273020 5.798874 4.712764 0.000000 16 C 2.458599 4.033868 4.567020 3.829976 5.211408 17 H 1.071787 5.342105 6.395477 5.192230 4.151512 18 H 4.691816 3.004687 1.764538 1.760810 5.909685 19 H 5.064327 2.237415 2.790633 3.643055 6.119634 20 H 3.354959 3.614071 3.884773 3.517726 5.709423 21 H 2.699364 4.640493 5.454205 4.851305 5.648183 22 C 3.052891 5.185773 5.185864 4.164090 5.908434 23 H 4.037032 5.861476 5.668711 4.867803 6.962775 24 H 2.831431 5.867698 6.060564 4.859564 5.829674 25 H 3.415677 5.023667 4.642630 3.467594 5.816502 16 17 18 19 20 16 C 0.000000 17 H 2.640414 0.000000 18 H 3.184697 5.331273 0.000000 19 H 3.610335 5.757336 2.661612 0.000000 20 H 1.071624 3.681827 2.463277 2.742440 0.000000 21 H 1.082073 2.613163 4.130539 4.011261 1.733393 22 C 1.537381 2.908458 3.580698 4.816360 2.136829 23 H 2.152406 3.776725 3.947043 5.097451 2.435482 24 H 2.198404 2.370262 4.544634 5.721206 3.056607 25 H 2.173964 3.489448 3.069362 4.868636 2.496948 21 22 23 24 25 21 H 0.000000 22 C 2.164861 0.000000 23 H 2.490862 1.084329 0.000000 24 H 2.537884 1.081461 1.750327 0.000000 25 H 3.065259 1.084414 1.753844 1.751091 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.206736 1.441618 -0.274750 2 6 0 1.864706 1.723585 1.077131 3 8 0 2.130819 1.093663 -1.266967 4 8 0 -2.840734 -2.252508 -0.038616 5 6 0 -1.894699 -1.523842 -0.081075 6 7 0 -2.047769 -0.153259 0.050597 7 6 0 -1.088282 0.787980 0.013164 8 16 0 -1.556674 2.393419 0.193114 9 7 0 0.190258 0.362269 -0.186987 10 6 0 0.480575 -1.011776 -0.272292 11 6 0 -0.511376 -1.908323 -0.237173 12 1 0 0.652262 2.288538 -0.625910 13 1 0 2.117992 2.774646 1.156929 14 1 0 1.212534 1.484322 1.903894 15 1 0 -2.976792 0.182396 0.182069 16 6 0 1.915739 -1.532309 -0.348695 17 1 0 -0.306716 -2.957548 -0.314421 18 1 0 2.772129 1.135853 1.164514 19 1 0 2.699401 1.830275 -1.403883 20 1 0 2.625040 -0.733450 -0.432923 21 1 0 1.978473 -2.113030 -1.259578 22 6 0 2.293674 -2.399895 0.862915 23 1 0 3.312609 -2.751402 0.744656 24 1 0 1.655928 -3.265639 0.978348 25 1 0 2.243380 -1.824205 1.780523 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7677062 0.7242797 0.4152311 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 943.4510619404 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.04D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.968014 -0.003419 -0.014503 0.250454 Ang= -29.06 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.071358589 A.U. after 14 cycles NFock= 14 Conv=0.61D-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 -0.004218460 -0.002396305 -0.003602618 2 6 -0.001060684 -0.004285901 -0.001551109 3 8 -0.005591633 0.005965893 -0.000611571 4 8 0.001353082 -0.000322362 -0.000162147 5 6 -0.002233965 -0.000700331 0.000297323 6 7 -0.001065449 -0.001315917 0.001062038 7 6 0.001902501 0.000403830 -0.005389703 8 16 0.001109625 0.005296757 0.000989826 9 7 0.001019372 -0.003063930 0.000938123 10 6 0.000564394 0.000799349 0.004606479 11 6 -0.001755453 -0.002369166 -0.001709808 12 1 0.001204930 0.000318325 0.004862811 13 1 0.000262051 -0.001995309 0.000169035 14 1 0.000401782 0.001998667 -0.000983121 15 1 -0.000025261 0.002135550 -0.000488999 16 6 0.000111630 0.004898878 0.003214099 17 1 0.000754508 0.000059467 0.000409215 18 1 0.000018579 0.001052966 0.001849805 19 1 0.008167983 -0.004714394 -0.000604494 20 1 -0.001196724 0.000000567 -0.001916913 21 1 -0.000484857 -0.002258416 -0.000001339 22 6 0.001297043 0.000036221 -0.001453784 23 1 0.000025094 -0.000417318 0.000384127 24 1 -0.000566759 0.000497060 -0.000863884 25 1 0.000006669 0.000375818 0.000556608 ------------------------------------------------------------------- Cartesian Forces: Max 0.008167983 RMS 0.002393945 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009921987 RMS 0.002194153 Search for a local minimum. Step number 4 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -8.04D-03 DEPred=-8.27D-03 R= 9.72D-01 TightC=F SS= 1.41D+00 RLast= 5.94D-01 DXNew= 8.4853D-01 1.7807D+00 Trust test= 9.72D-01 RLast= 5.94D-01 DXMaxT set to 8.49D-01 ITU= 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00237 0.00410 0.00476 0.01424 Eigenvalues --- 0.01440 0.01517 0.01690 0.01811 0.01930 Eigenvalues --- 0.01950 0.02096 0.02189 0.02430 0.03939 Eigenvalues --- 0.04969 0.05229 0.05290 0.05321 0.05537 Eigenvalues --- 0.05628 0.05772 0.08499 0.09244 0.12897 Eigenvalues --- 0.15507 0.15999 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16085 0.16287 0.18139 Eigenvalues --- 0.20371 0.22107 0.23172 0.23559 0.24806 Eigenvalues --- 0.24982 0.25033 0.27104 0.28470 0.28542 Eigenvalues --- 0.29947 0.31748 0.33832 0.34729 0.34785 Eigenvalues --- 0.34833 0.34843 0.34851 0.34856 0.34868 Eigenvalues --- 0.34958 0.36213 0.39264 0.42118 0.42223 Eigenvalues --- 0.42736 0.43537 0.46517 0.48099 0.50026 Eigenvalues --- 0.56328 0.63775 0.88380 1.35599 RFO step: Lambda=-7.06419630D-03 EMin= 2.30194523D-03 Quartic linear search produced a step of 0.27758. Iteration 1 RMS(Cart)= 0.18918543 RMS(Int)= 0.01554057 Iteration 2 RMS(Cart)= 0.03812112 RMS(Int)= 0.00061599 Iteration 3 RMS(Cart)= 0.00096984 RMS(Int)= 0.00020328 Iteration 4 RMS(Cart)= 0.00000069 RMS(Int)= 0.00020328 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89073 -0.00074 -0.00038 -0.00340 -0.00378 2.88696 R2 2.64528 -0.00100 -0.00145 -0.00005 -0.00150 2.64378 R3 2.80669 0.00125 -0.00825 -0.00270 -0.01095 2.79574 R4 2.02477 -0.00151 0.00149 -0.00151 -0.00003 2.02474 R5 2.04863 0.00030 -0.00003 0.00161 0.00158 2.05021 R6 2.04065 0.00113 -0.00135 0.00383 0.00248 2.04313 R7 2.04970 -0.00001 -0.00033 0.00047 0.00014 2.04984 R8 1.77738 0.00922 -0.00566 0.03472 0.02906 1.80643 R9 2.25800 -0.00112 -0.00098 0.00438 0.00340 2.26139 R10 2.61798 0.00110 0.00665 0.00615 0.01285 2.63083 R11 2.72918 -0.00138 0.00476 -0.00089 0.00392 2.73311 R12 2.54092 0.00238 0.00355 0.01395 0.01749 2.55841 R13 1.88313 0.00214 -0.00187 0.00865 0.00678 1.88991 R14 3.17857 0.00337 -0.01347 0.01869 0.00522 3.18379 R15 2.57444 0.00778 -0.00591 0.01368 0.00770 2.58214 R16 2.65879 0.00084 -0.00818 -0.01240 -0.02061 2.63818 R17 2.52757 -0.00125 -0.00148 -0.00401 -0.00548 2.52209 R18 2.88855 -0.00271 -0.00436 -0.01125 -0.01561 2.87295 R19 2.02538 -0.00072 0.00290 -0.00582 -0.00291 2.02247 R20 2.02508 -0.00146 0.00365 0.00227 0.00592 2.03099 R21 2.04482 0.00139 -0.00054 0.00462 0.00407 2.04889 R22 2.90523 -0.00154 -0.00363 -0.00721 -0.01084 2.89439 R23 2.04909 0.00051 -0.00024 0.00207 0.00183 2.05091 R24 2.04367 0.00087 -0.00010 0.00353 0.00343 2.04709 R25 2.04925 0.00060 -0.00022 0.00229 0.00207 2.05132 A1 1.96957 0.00056 0.01197 0.00213 0.01391 1.98348 A2 1.95639 0.00093 0.00400 0.01446 0.01822 1.97460 A3 1.94607 -0.00205 -0.00778 -0.02459 -0.03240 1.91367 A4 1.88919 -0.00127 -0.00027 -0.00644 -0.00722 1.88197 A5 1.88157 -0.00001 0.00429 -0.00614 -0.00177 1.87980 A6 1.81277 0.00190 -0.01341 0.02164 0.00834 1.82111 A7 1.92224 -0.00022 -0.00234 -0.00178 -0.00421 1.91803 A8 1.95627 -0.00234 -0.00316 -0.01611 -0.01930 1.93697 A9 1.90833 0.00325 0.00178 0.02173 0.02357 1.93190 A10 1.87503 0.00089 -0.00042 0.00176 0.00115 1.87619 A11 1.90071 -0.00141 0.00124 -0.00800 -0.00677 1.89394 A12 1.90024 -0.00022 0.00308 0.00203 0.00522 1.90546 A13 1.88345 0.00201 0.00444 0.01622 0.02066 1.90410 A14 2.10884 -0.00100 0.00109 -0.00263 -0.00161 2.10722 A15 2.21411 0.00061 0.00160 0.00279 0.00435 2.21846 A16 1.96003 0.00038 -0.00273 -0.00066 -0.00367 1.95636 A17 2.22818 0.00201 0.00015 0.00806 0.00800 2.23618 A18 2.03620 -0.00137 -0.00013 -0.00680 -0.00684 2.02936 A19 2.01878 -0.00064 -0.00002 -0.00130 -0.00122 2.01755 A20 2.05607 -0.00422 0.01426 -0.00616 0.00798 2.06405 A21 2.04321 -0.00290 -0.00394 -0.01637 -0.02091 2.02230 A22 2.18379 0.00714 -0.01032 0.02323 0.01277 2.19656 A23 2.00853 0.00992 0.00468 0.05406 0.05891 2.06744 A24 2.17112 -0.00765 -0.01120 -0.05314 -0.06418 2.10695 A25 2.10335 -0.00227 0.00649 -0.00087 0.00528 2.10863 A26 2.09439 0.00350 0.00068 0.01622 0.01630 2.11069 A27 2.12861 -0.00028 -0.01603 -0.02070 -0.03678 2.09183 A28 2.05937 -0.00323 0.01512 0.00360 0.01856 2.07792 A29 2.13500 -0.00081 -0.00116 -0.00991 -0.01144 2.12356 A30 2.03902 0.00076 0.00507 0.00739 0.01237 2.05140 A31 2.10910 0.00004 -0.00392 0.00223 -0.00174 2.10736 A32 1.95144 0.00010 0.00628 0.00035 0.00648 1.95793 A33 1.85383 0.00198 -0.00658 0.01425 0.00769 1.86152 A34 1.96448 -0.00227 0.00408 -0.00851 -0.00454 1.95994 A35 1.87081 -0.00109 -0.00559 -0.01149 -0.01700 1.85382 A36 1.89644 0.00175 0.00234 0.01228 0.01447 1.91090 A37 1.92443 -0.00047 -0.00104 -0.00757 -0.00856 1.91587 A38 1.90497 0.00033 -0.00125 0.00240 0.00115 1.90612 A39 1.97242 -0.00120 0.00435 -0.00947 -0.00513 1.96729 A40 1.93466 0.00054 0.00178 0.00312 0.00489 1.93954 A41 1.88208 0.00039 -0.00146 0.00293 0.00147 1.88354 A42 1.88385 -0.00025 -0.00252 0.00023 -0.00229 1.88156 A43 1.88317 0.00022 -0.00122 0.00114 -0.00010 1.88306 D1 1.57688 -0.00085 -0.01479 -0.07638 -0.09140 1.48548 D2 -2.61983 -0.00140 -0.01905 -0.08587 -0.10502 -2.72485 D3 -0.51103 -0.00100 -0.01600 -0.07897 -0.09519 -0.60621 D4 -2.56787 -0.00139 -0.00384 -0.07231 -0.07601 -2.64388 D5 -0.48140 -0.00195 -0.00809 -0.08180 -0.08963 -0.57103 D6 1.62741 -0.00154 -0.00505 -0.07490 -0.07980 1.54761 D7 -0.54386 0.00026 -0.02337 -0.05182 -0.07524 -0.61910 D8 1.54261 -0.00029 -0.02763 -0.06131 -0.08886 1.45376 D9 -2.63176 0.00012 -0.02458 -0.05442 -0.07903 -2.71079 D10 -1.10330 -0.00002 -0.00431 -0.03069 -0.03508 -1.13837 D11 3.00428 -0.00066 -0.01703 -0.04601 -0.06305 2.94124 D12 1.05355 -0.00225 -0.00349 -0.06499 -0.06839 0.98517 D13 1.63854 0.00190 0.04331 0.18971 0.23313 1.87166 D14 -1.48223 0.00184 0.04508 0.18672 0.23188 -1.25035 D15 -2.46122 0.00234 0.06084 0.19770 0.25848 -2.20273 D16 0.70120 0.00228 0.06260 0.19470 0.25724 0.95843 D17 -0.46469 0.00269 0.05910 0.19828 0.25736 -0.20733 D18 2.69773 0.00264 0.06086 0.19528 0.25611 2.95384 D19 -3.13105 0.00041 0.00100 0.01537 0.01613 -3.11492 D20 0.00182 0.00036 -0.00058 0.01016 0.00945 0.01127 D21 0.03097 0.00095 0.00404 0.03978 0.04357 0.07454 D22 -3.11934 0.00090 0.00246 0.03458 0.03688 -3.08246 D23 -3.14088 0.00030 -0.00092 0.01026 0.00921 -3.13167 D24 -0.01058 -0.00040 -0.00479 -0.01890 -0.02392 -0.03450 D25 -0.02122 -0.00030 -0.00419 -0.01602 -0.02046 -0.04167 D26 3.10908 -0.00100 -0.00806 -0.04519 -0.05359 3.05549 D27 3.13560 0.00108 -0.00483 0.03312 0.02809 -3.11949 D28 0.00931 -0.00036 0.00361 -0.01463 -0.01094 -0.00163 D29 0.00266 0.00113 -0.00326 0.03830 0.03476 0.03742 D30 -3.12364 -0.00031 0.00518 -0.00945 -0.00427 -3.12791 D31 3.10084 -0.00075 -0.00965 -0.03782 -0.04732 3.05352 D32 -0.06070 -0.00078 -0.01150 -0.03567 -0.04698 -0.10767 D33 -0.02421 -0.00219 -0.00027 -0.08914 -0.08966 -0.11387 D34 3.09744 -0.00221 -0.00212 -0.08699 -0.08931 3.00813 D35 -3.09351 0.00174 0.00964 0.06170 0.07168 -3.02183 D36 0.09245 0.00218 0.02280 0.08527 0.10762 0.20007 D37 0.06997 0.00155 0.01152 0.05798 0.06983 0.13980 D38 -3.02726 0.00199 0.02468 0.08156 0.10577 -2.92149 D39 -0.02626 -0.00095 -0.00307 -0.02962 -0.03215 -0.05842 D40 3.12707 -0.00023 0.00096 0.00066 0.00194 3.12901 D41 3.07271 -0.00132 -0.01567 -0.05290 -0.06921 3.00350 D42 -0.05715 -0.00059 -0.01163 -0.02262 -0.03511 -0.09226 D43 -0.10512 -0.00047 -0.01813 -0.00877 -0.02676 -0.13188 D44 -2.14032 -0.00039 -0.01092 -0.00364 -0.01436 -2.15468 D45 2.03533 0.00022 -0.00776 0.00131 -0.00620 2.02913 D46 3.07998 -0.00020 -0.00525 0.01403 0.00853 3.08851 D47 1.04478 -0.00012 0.00197 0.01916 0.02093 1.06571 D48 -1.06276 0.00049 0.00513 0.02410 0.02909 -1.03366 D49 3.12576 0.00026 -0.00332 0.00576 0.00242 3.12819 D50 1.03172 0.00032 -0.00342 0.00652 0.00309 1.03481 D51 -1.08477 0.00049 -0.00612 0.00943 0.00329 -1.08148 D52 -0.98636 0.00010 0.00898 0.00933 0.01835 -0.96800 D53 -3.08040 0.00016 0.00888 0.01009 0.01902 -3.06138 D54 1.08630 0.00033 0.00619 0.01301 0.01922 1.10552 D55 1.05923 -0.00045 0.00302 -0.00163 0.00136 1.06059 D56 -1.03482 -0.00039 0.00292 -0.00087 0.00203 -1.03278 D57 3.13188 -0.00022 0.00022 0.00204 0.00224 3.13412 Item Value Threshold Converged? Maximum Force 0.009922 0.000450 NO RMS Force 0.002194 0.000300 NO Maximum Displacement 0.736466 0.001800 NO RMS Displacement 0.216251 0.001200 NO Predicted change in Energy=-5.909150D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.027669 -4.997942 2.014249 2 6 0 7.112052 -5.226271 3.522444 3 8 0 7.029544 -6.180523 1.266737 4 8 0 2.751790 -2.095201 0.186766 5 6 0 3.628648 -2.772954 0.638217 6 7 0 4.925312 -2.278294 0.748304 7 6 0 6.027706 -2.917465 1.205589 8 16 0 7.479199 -2.063902 1.261303 9 7 0 5.842755 -4.209131 1.611134 10 6 0 4.563340 -4.764994 1.666856 11 6 0 3.508518 -4.109135 1.178556 12 1 0 7.861701 -4.407510 1.692097 13 1 0 8.149253 -5.333139 3.822209 14 1 0 6.701891 -4.385683 4.064775 15 1 0 5.067700 -1.337240 0.441161 16 6 0 4.343438 -6.087663 2.383442 17 1 0 2.530774 -4.543052 1.212535 18 1 0 6.577503 -6.127118 3.804172 19 1 0 7.871655 -6.619142 1.377422 20 1 0 5.268400 -6.544688 2.684562 21 1 0 3.893788 -6.760868 1.662221 22 6 0 3.424778 -5.943493 3.600496 23 1 0 3.291477 -6.915510 4.064481 24 1 0 2.445034 -5.560360 3.342055 25 1 0 3.858073 -5.278723 4.341218 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.527712 0.000000 3 O 1.399027 2.450636 0.000000 4 O 5.481674 6.319986 6.012933 0.000000 5 C 4.289217 5.145059 4.855168 1.196678 0.000000 6 N 3.663196 4.600896 4.463625 2.252343 1.392173 7 C 2.445862 3.445896 3.413936 3.527853 2.469468 8 S 3.062580 3.904885 4.141109 4.848094 3.964560 9 N 1.479441 2.509739 2.326685 4.006444 2.812728 10 C 2.499573 3.186206 2.871581 3.549673 2.428986 11 C 3.724619 4.441537 4.086079 2.369011 1.446298 12 H 1.071448 2.140680 2.004243 5.807236 4.658452 13 H 2.153839 1.084926 2.915861 7.268651 6.093292 14 H 2.164636 1.081176 3.340333 5.990706 4.877193 15 H 4.440363 5.366399 5.290349 2.450034 2.042297 16 C 2.920427 3.115211 2.910467 4.826850 3.813663 17 H 4.590397 5.175961 4.787816 2.663274 2.160652 18 H 2.163680 1.084730 2.577939 6.631596 5.474434 19 H 1.935497 2.667996 0.955923 6.935180 5.774313 20 H 2.436549 2.416469 2.290081 5.689485 4.593723 21 H 3.612900 4.021522 3.213436 5.024896 4.125814 22 C 4.048589 3.757191 4.300808 5.188045 4.343843 23 H 4.673291 4.212377 4.726597 6.209936 5.386440 24 H 4.804158 4.682437 5.070432 4.696517 4.059718 25 H 3.942076 3.355819 4.508204 5.349593 4.477022 6 7 8 9 10 6 N 0.000000 7 C 1.353854 0.000000 8 S 2.613708 1.684787 0.000000 9 N 2.305278 1.366409 2.720724 0.000000 10 C 2.675526 2.402186 3.995323 1.396062 0.000000 11 C 2.354655 2.786954 4.467229 2.376086 1.334630 12 H 3.747891 2.412563 2.413377 2.030284 3.317773 13 H 5.401366 4.145255 4.206556 3.387060 4.222215 14 H 4.312343 3.284072 3.722140 2.605693 3.235319 15 H 1.000098 2.000768 2.648773 3.196452 3.675079 16 C 4.186113 3.778127 5.223298 2.524537 1.520297 17 H 3.328431 3.856308 5.534933 3.352552 2.094515 18 H 5.184738 4.166146 4.877393 3.004653 3.237337 19 H 5.283908 4.139092 4.573589 3.158989 3.803496 20 H 4.697757 3.990069 5.195262 2.633810 2.167981 21 H 4.689643 4.419713 5.922617 3.211299 2.105192 22 C 4.880603 4.654852 6.079587 3.579411 2.534590 23 H 5.930448 5.625350 6.995207 4.455604 3.462796 24 H 4.863258 4.938108 6.472833 4.045542 2.815337 25 H 4.801104 4.484976 5.738772 3.540670 2.813100 11 12 13 14 15 11 C 0.000000 12 H 4.393513 0.000000 13 H 5.479370 2.340267 0.000000 14 H 4.313278 2.641067 1.746816 0.000000 15 H 3.264690 4.335648 6.074097 5.009408 0.000000 16 C 2.462400 3.959677 4.138065 3.359452 5.183004 17 H 1.070245 5.354170 6.245153 5.055517 4.160319 18 H 4.514951 3.011158 1.761001 1.765214 6.044194 19 H 5.037524 2.233928 2.776301 3.684908 6.052870 20 H 3.361124 3.503959 3.325869 2.936186 5.673680 21 H 2.722876 4.613406 4.981258 4.393087 5.681972 22 C 3.039354 5.068285 4.768894 3.658114 5.822212 23 H 4.031303 5.727583 5.114741 4.246286 6.884803 24 H 2.813855 5.778556 5.728899 4.474709 5.755719 25 H 3.390067 4.879128 4.322795 2.993533 5.675291 16 17 18 19 20 16 C 0.000000 17 H 2.653789 0.000000 18 H 2.647844 5.059828 0.000000 19 H 3.707136 5.732569 2.793928 0.000000 20 H 1.074755 3.697026 1.772468 2.913949 0.000000 21 H 1.084228 2.641729 3.491693 3.990567 1.726694 22 C 1.531647 2.909095 3.164629 5.017297 2.144600 23 H 2.148917 3.786927 3.389290 5.318472 2.439243 24 H 2.191102 2.361592 4.196674 5.867625 3.061469 25 H 2.173212 3.477296 2.898878 5.166203 2.517181 21 22 23 24 25 21 H 0.000000 22 C 2.155222 0.000000 23 H 2.481440 1.085296 0.000000 24 H 2.522291 1.083274 1.753510 0.000000 25 H 3.061871 1.085510 1.754048 1.753376 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.326318 1.321966 -0.289021 2 6 0 2.258199 1.298997 0.921341 3 8 0 1.975312 1.066415 -1.501776 4 8 0 -2.975071 -2.073814 -0.164598 5 6 0 -1.986341 -1.399691 -0.161522 6 7 0 -2.061898 -0.026847 0.056962 7 6 0 -1.052331 0.875176 0.064036 8 16 0 -1.423867 2.485783 0.390249 9 7 0 0.196818 0.373771 -0.171113 10 6 0 0.407297 -1.002479 -0.274184 11 6 0 -0.620509 -1.853314 -0.304721 12 1 0 0.859080 2.283115 -0.365706 13 1 0 2.725686 2.270090 1.045840 14 1 0 1.709971 1.083506 1.827957 15 1 0 -2.975820 0.346261 0.217370 16 6 0 1.823161 -1.555590 -0.247681 17 1 0 -0.456010 -2.906952 -0.395335 18 1 0 3.037443 0.555741 0.791009 19 1 0 2.590596 1.775282 -1.682669 20 1 0 2.563526 -0.777068 -0.277012 21 1 0 1.950080 -2.128621 -1.159315 22 6 0 2.073654 -2.453373 0.967713 23 1 0 3.090689 -2.830290 0.929756 24 1 0 1.404068 -3.304128 1.004480 25 1 0 1.959510 -1.898879 1.893910 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7798037 0.7079977 0.4221338 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.1237604368 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.02D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999260 -0.011490 -0.012888 0.034365 Ang= -4.41 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.071672436 A.U. after 14 cycles NFock= 14 Conv=0.57D-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 0.005926299 0.006555355 -0.005360737 2 6 0.000440496 -0.003718501 0.000758824 3 8 0.001076968 -0.005216987 0.003095055 4 8 0.005400258 -0.003413315 0.001244757 5 6 -0.001361468 0.001667478 0.000685712 6 7 0.003809990 -0.001920764 -0.000352118 7 6 -0.003352721 0.002456015 -0.002917018 8 16 -0.002208671 -0.001284959 -0.000479243 9 7 0.005737790 -0.002332519 0.003223261 10 6 -0.000916130 0.000687590 0.005598134 11 6 -0.002431594 -0.000455855 -0.003028125 12 1 -0.000296299 0.002567127 0.003700827 13 1 0.000044502 -0.001099617 -0.000858987 14 1 0.000441809 0.001295016 0.000534517 15 1 -0.000226739 -0.001204543 0.000727503 16 6 -0.002891210 -0.003655554 -0.006543467 17 1 -0.000760720 0.000622030 0.000100872 18 1 0.005986323 0.004681194 0.004308532 19 1 -0.007252650 0.005076418 -0.001569737 20 1 -0.007643186 0.000282207 -0.005889747 21 1 -0.000394860 -0.000976648 0.000589832 22 6 0.000709617 -0.000646870 0.002798261 23 1 -0.000331293 0.000205769 0.000232713 24 1 0.000936883 -0.000339803 -0.000502852 25 1 -0.000443393 0.000169736 -0.000096770 ------------------------------------------------------------------- Cartesian Forces: Max 0.007643186 RMS 0.003073923 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.022143293 RMS 0.004794074 Search for a local minimum. Step number 5 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -3.14D-04 DEPred=-5.91D-03 R= 5.31D-02 Trust test= 5.31D-02 RLast= 7.36D-01 DXMaxT set to 4.24D-01 ITU= -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00225 0.00230 0.00425 0.01103 0.01372 Eigenvalues --- 0.01465 0.01678 0.01716 0.01896 0.01931 Eigenvalues --- 0.02034 0.02152 0.02327 0.03677 0.03901 Eigenvalues --- 0.04683 0.05250 0.05287 0.05509 0.05610 Eigenvalues --- 0.05722 0.05979 0.08610 0.09271 0.12885 Eigenvalues --- 0.15192 0.15991 0.15999 0.16000 0.16000 Eigenvalues --- 0.16000 0.16007 0.16197 0.16239 0.18654 Eigenvalues --- 0.21740 0.22862 0.23453 0.23836 0.24801 Eigenvalues --- 0.24921 0.25032 0.26846 0.28325 0.28478 Eigenvalues --- 0.30111 0.31495 0.34016 0.34706 0.34786 Eigenvalues --- 0.34833 0.34839 0.34848 0.34857 0.34885 Eigenvalues --- 0.35042 0.36126 0.38574 0.41937 0.42327 Eigenvalues --- 0.42739 0.43056 0.46613 0.47803 0.49010 Eigenvalues --- 0.56314 0.61506 0.87924 1.43977 RFO step: Lambda=-6.11810148D-03 EMin= 2.25068799D-03 Quartic linear search produced a step of -0.41984. Iteration 1 RMS(Cart)= 0.10666481 RMS(Int)= 0.00511673 Iteration 2 RMS(Cart)= 0.00779502 RMS(Int)= 0.00026722 Iteration 3 RMS(Cart)= 0.00004007 RMS(Int)= 0.00026619 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00026619 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88696 0.00489 0.00159 0.00528 0.00687 2.89383 R2 2.64378 -0.00070 0.00063 -0.00336 -0.00273 2.64105 R3 2.79574 0.00095 0.00460 -0.00341 0.00119 2.79693 R4 2.02474 0.00007 0.00001 -0.00075 -0.00074 2.02400 R5 2.05021 -0.00009 -0.00066 0.00103 0.00037 2.05058 R6 2.04313 0.00111 -0.00104 0.00377 0.00273 2.04585 R7 2.04984 -0.00572 -0.00006 -0.00834 -0.00839 2.04145 R8 1.80643 -0.00890 -0.01220 0.01083 -0.00137 1.80507 R9 2.26139 -0.00636 -0.00143 -0.00371 -0.00514 2.25625 R10 2.63083 -0.00473 -0.00539 0.00250 -0.00306 2.62777 R11 2.73311 -0.00275 -0.00165 -0.00275 -0.00445 2.72866 R12 2.55841 -0.00819 -0.00734 0.00179 -0.00566 2.55275 R13 1.88991 -0.00139 -0.00285 0.00308 0.00023 1.89014 R14 3.18379 -0.00257 -0.00219 0.00053 -0.00166 3.18213 R15 2.58214 0.00000 -0.00323 0.00821 0.00503 2.58717 R16 2.63818 0.01583 0.00865 0.00891 0.01774 2.65592 R17 2.52209 0.00253 0.00230 -0.00105 0.00136 2.52344 R18 2.87295 0.00133 0.00655 -0.00975 -0.00320 2.86974 R19 2.02247 0.00045 0.00122 -0.00069 0.00053 2.02300 R20 2.03099 -0.00835 -0.00248 -0.01091 -0.01339 2.01760 R21 2.04889 0.00038 -0.00171 0.00404 0.00233 2.05122 R22 2.89439 0.00135 0.00455 -0.00604 -0.00149 2.89290 R23 2.05091 -0.00004 -0.00077 0.00137 0.00061 2.05152 R24 2.04709 -0.00085 -0.00144 0.00154 0.00011 2.04720 R25 2.05132 -0.00014 -0.00087 0.00148 0.00061 2.05193 A1 1.98348 0.00129 -0.00584 0.01588 0.01005 1.99354 A2 1.97460 0.01169 -0.00765 0.03960 0.03205 2.00665 A3 1.91367 -0.00835 0.01360 -0.06125 -0.04748 1.86619 A4 1.88197 -0.00821 0.00303 -0.02172 -0.01887 1.86310 A5 1.87980 0.00532 0.00074 0.02595 0.02672 1.90653 A6 1.82111 -0.00215 -0.00350 0.00053 -0.00263 1.81848 A7 1.91803 -0.00304 0.00177 -0.01643 -0.01466 1.90337 A8 1.93697 -0.00117 0.00810 -0.01910 -0.01119 1.92579 A9 1.93190 0.00961 -0.00990 0.05326 0.04334 1.97524 A10 1.87619 0.00063 -0.00048 -0.00308 -0.00373 1.87246 A11 1.89394 -0.00375 0.00284 -0.01981 -0.01681 1.87713 A12 1.90546 -0.00263 -0.00219 0.00340 0.00101 1.90646 A13 1.90410 -0.00105 -0.00867 0.01457 0.00590 1.91000 A14 2.10722 -0.00193 0.00068 -0.00410 -0.00356 2.10367 A15 2.21846 -0.00015 -0.00183 0.00486 0.00291 2.22136 A16 1.95636 0.00216 0.00154 0.00010 0.00162 1.95798 A17 2.23618 0.00086 -0.00336 0.00691 0.00363 2.23981 A18 2.02936 -0.00039 0.00287 -0.00593 -0.00309 2.02627 A19 2.01755 -0.00046 0.00051 -0.00100 -0.00052 2.01703 A20 2.06405 -0.00271 -0.00335 -0.00257 -0.00616 2.05789 A21 2.02230 0.00489 0.00878 -0.00557 0.00337 2.02567 A22 2.19656 -0.00218 -0.00536 0.00692 0.00132 2.19788 A23 2.06744 -0.01758 -0.02473 0.00587 -0.01958 2.04786 A24 2.10695 0.02214 0.02694 0.00041 0.02662 2.13356 A25 2.10863 -0.00452 -0.00222 -0.00533 -0.00740 2.10123 A26 2.11069 -0.00470 -0.00684 0.00736 0.00031 2.11099 A27 2.09183 0.01835 0.01544 0.01647 0.03083 2.12266 A28 2.07792 -0.01340 -0.00779 -0.01951 -0.02839 2.04953 A29 2.12356 0.00162 0.00480 -0.00451 0.00069 2.12425 A30 2.05140 -0.00147 -0.00519 0.00535 0.00001 2.05141 A31 2.10736 -0.00009 0.00073 -0.00083 -0.00023 2.10713 A32 1.95793 0.00011 -0.00272 0.00514 0.00239 1.96032 A33 1.86152 0.00007 -0.00323 0.01020 0.00698 1.86850 A34 1.95994 0.00063 0.00191 -0.00088 0.00101 1.96095 A35 1.85382 -0.00141 0.00714 -0.02716 -0.02002 1.83379 A36 1.91090 0.00034 -0.00607 0.01605 0.00996 1.92086 A37 1.91587 0.00014 0.00359 -0.00551 -0.00193 1.91395 A38 1.90612 0.00082 -0.00048 0.00453 0.00404 1.91016 A39 1.96729 -0.00134 0.00216 -0.01093 -0.00877 1.95852 A40 1.93954 0.00053 -0.00205 0.00574 0.00368 1.94322 A41 1.88354 0.00009 -0.00062 0.00146 0.00085 1.88440 A42 1.88156 -0.00027 0.00096 -0.00015 0.00080 1.88235 A43 1.88306 0.00018 0.00004 -0.00042 -0.00038 1.88269 D1 1.48548 0.00118 0.03837 -0.11881 -0.08062 1.40486 D2 -2.72485 -0.00069 0.04409 -0.14498 -0.10099 -2.82584 D3 -0.60621 0.00171 0.03996 -0.11739 -0.07744 -0.68365 D4 -2.64388 0.00052 0.03191 -0.10357 -0.07158 -2.71547 D5 -0.57103 -0.00136 0.03763 -0.12974 -0.09196 -0.66298 D6 1.54761 0.00105 0.03350 -0.10216 -0.06840 1.47921 D7 -0.61910 -0.00050 0.03159 -0.11871 -0.08727 -0.70637 D8 1.45376 -0.00238 0.03731 -0.14488 -0.10764 1.34611 D9 -2.71079 0.00002 0.03318 -0.11730 -0.08409 -2.79488 D10 -1.13837 0.00462 0.01473 -0.04027 -0.02562 -1.16400 D11 2.94124 -0.00520 0.02647 -0.08657 -0.06008 2.88116 D12 0.98517 -0.00135 0.02871 -0.08923 -0.06045 0.92471 D13 1.87166 -0.00668 -0.09788 0.05611 -0.04155 1.83011 D14 -1.25035 -0.00878 -0.09735 0.00121 -0.09623 -1.34659 D15 -2.20273 -0.00294 -0.10852 0.08846 -0.01998 -2.22272 D16 0.95843 -0.00505 -0.10800 0.03356 -0.07467 0.88377 D17 -0.20733 -0.00142 -0.10805 0.10887 0.00099 -0.20635 D18 2.95384 -0.00352 -0.10753 0.05397 -0.05370 2.90014 D19 -3.11492 0.00079 -0.00677 0.03190 0.02496 -3.08996 D20 0.01127 0.00098 -0.00397 0.03028 0.02620 0.03746 D21 0.07454 -0.00092 -0.01829 0.01380 -0.00438 0.07017 D22 -3.08246 -0.00074 -0.01548 0.01219 -0.00314 -3.08560 D23 -3.13167 -0.00091 -0.00387 -0.01251 -0.01649 3.13502 D24 -0.03450 0.00048 0.01004 -0.01196 -0.00207 -0.03657 D25 -0.04167 0.00089 0.00859 0.00667 0.01504 -0.02663 D26 3.05549 0.00228 0.02250 0.00723 0.02947 3.08496 D27 -3.11949 0.00019 -0.01179 0.03204 0.02024 -3.09925 D28 -0.00163 -0.00012 0.00459 -0.02043 -0.01569 -0.01732 D29 0.03742 0.00000 -0.01459 0.03368 0.01903 0.05644 D30 -3.12791 -0.00030 0.00179 -0.01878 -0.01690 3.13838 D31 3.05352 -0.00030 0.01987 -0.04717 -0.02698 3.02654 D32 -0.10767 0.00212 0.01972 0.00786 0.02704 -0.08063 D33 -0.11387 -0.00063 0.03764 -0.10435 -0.06630 -0.18017 D34 3.00813 0.00179 0.03750 -0.04933 -0.01228 2.99585 D35 -3.02183 -0.00089 -0.03009 0.06750 0.03810 -2.98373 D36 0.20007 -0.00398 -0.04518 0.00545 -0.04019 0.15988 D37 0.13980 -0.00291 -0.02932 0.01117 -0.01810 0.12171 D38 -2.92149 -0.00600 -0.04441 -0.05088 -0.09639 -3.01787 D39 -0.05842 0.00088 0.01350 -0.01845 -0.00481 -0.06323 D40 3.12901 -0.00053 -0.00081 -0.01918 -0.01970 3.10931 D41 3.00350 0.00538 0.02906 0.04473 0.07293 3.07643 D42 -0.09226 0.00397 0.01474 0.04400 0.05804 -0.03421 D43 -0.13188 -0.00125 0.01124 -0.13801 -0.12680 -0.25869 D44 -2.15468 0.00035 0.00603 -0.11416 -0.10814 -2.26282 D45 2.02913 -0.00023 0.00260 -0.11349 -0.11093 1.91821 D46 3.08851 -0.00465 -0.00358 -0.20009 -0.20365 2.88485 D47 1.06571 -0.00304 -0.00879 -0.17624 -0.18499 0.88071 D48 -1.03366 -0.00363 -0.01221 -0.17558 -0.18778 -1.22144 D49 3.12819 -0.00025 -0.00102 0.01084 0.00980 3.13799 D50 1.03481 -0.00007 -0.00130 0.01293 0.01162 1.04643 D51 -1.08148 0.00026 -0.00138 0.01702 0.01563 -1.06584 D52 -0.96800 0.00061 -0.00770 0.02897 0.02127 -0.94674 D53 -3.06138 0.00079 -0.00799 0.03106 0.02308 -3.03830 D54 1.10552 0.00112 -0.00807 0.03516 0.02710 1.13262 D55 1.06059 -0.00083 -0.00057 0.00227 0.00170 1.06229 D56 -1.03278 -0.00064 -0.00085 0.00436 0.00352 -1.02927 D57 3.13412 -0.00031 -0.00094 0.00846 0.00753 -3.14154 Item Value Threshold Converged? Maximum Force 0.022143 0.000450 NO RMS Force 0.004794 0.000300 NO Maximum Displacement 0.405681 0.001800 NO RMS Displacement 0.107403 0.001200 NO Predicted change in Energy=-6.133076D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.014440 -4.985608 2.061888 2 6 0 7.201396 -5.152727 3.572565 3 8 0 6.968160 -6.189311 1.353233 4 8 0 2.786327 -2.103003 0.102452 5 6 0 3.636419 -2.774707 0.604141 6 7 0 4.933267 -2.290542 0.736108 7 6 0 6.019979 -2.927918 1.223575 8 16 0 7.462289 -2.064375 1.321498 9 7 0 5.819411 -4.209201 1.662258 10 6 0 4.526253 -4.759282 1.683397 11 6 0 3.491927 -4.102868 1.151938 12 1 0 7.838473 -4.399635 1.708667 13 1 0 8.251628 -5.327273 3.782399 14 1 0 6.916568 -4.245227 4.089656 15 1 0 5.087548 -1.354078 0.420398 16 6 0 4.247665 -6.114494 2.309452 17 1 0 2.513825 -4.537926 1.143711 18 1 0 6.645136 -5.984180 3.980344 19 1 0 7.820969 -6.617274 1.397653 20 1 0 5.141028 -6.673793 2.479760 21 1 0 3.687373 -6.692480 1.581282 22 6 0 3.443199 -6.002114 3.607037 23 1 0 3.268319 -6.994515 4.010920 24 1 0 2.480583 -5.529771 3.452549 25 1 0 3.979819 -5.427700 4.356120 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.531348 0.000000 3 O 1.397582 2.460557 0.000000 4 O 5.479574 6.390253 5.979138 0.000000 5 C 4.292334 5.213020 4.829198 1.193958 0.000000 6 N 3.654087 4.624067 4.440950 2.246340 1.390556 7 C 2.434298 3.444310 3.398903 3.520498 2.467495 8 S 3.046695 3.830573 4.154548 4.832410 3.956824 9 N 1.480070 2.539566 2.309969 4.008574 2.818304 10 C 2.526964 3.298506 2.849017 3.547189 2.427990 11 C 3.743705 4.552119 4.059305 2.366169 1.443943 12 H 1.071056 2.108822 2.021563 5.777424 4.638710 13 H 2.146516 1.085120 2.879453 7.335356 6.157684 14 H 2.160922 1.082620 3.357102 6.127464 5.007057 15 H 4.426670 5.369753 5.271277 2.440818 2.039049 16 C 2.998452 3.353353 2.884623 4.806082 3.799459 17 H 4.615084 5.315132 4.755215 2.662204 2.158772 18 H 2.194084 1.080288 2.654833 6.707607 5.545434 19 H 1.937532 2.694255 0.955201 6.885042 5.736327 20 H 2.556219 2.784417 2.200500 5.664656 4.580902 21 H 3.770115 4.322546 3.326973 4.905316 4.038111 22 C 4.021757 3.853140 4.188082 5.283623 4.412581 23 H 4.676308 4.365024 4.626065 6.279756 5.435846 24 H 4.773459 4.737366 4.998047 4.802018 4.127925 25 H 3.829865 3.326879 4.304366 5.529171 4.607997 6 7 8 9 10 6 N 0.000000 7 C 1.350858 0.000000 8 S 2.605721 1.683910 0.000000 9 N 2.307435 1.369071 2.723131 0.000000 10 C 2.675387 2.407602 4.001725 1.405451 0.000000 11 C 2.352637 2.788671 4.466315 2.385144 1.335349 12 H 3.719458 2.389181 2.396843 2.028555 3.331784 13 H 5.432600 4.157492 4.162402 3.414786 4.313565 14 H 4.358963 3.279268 3.566038 2.664078 3.430443 15 H 1.000220 1.997872 2.637404 3.198369 3.675001 16 C 4.191429 3.804536 5.264345 2.553309 1.518604 17 H 3.327248 3.858966 5.535102 3.362119 2.095263 18 H 5.205625 4.163092 4.806462 3.034122 3.356487 19 H 5.243766 4.109162 4.567641 3.142462 3.793275 20 H 4.721904 4.047485 5.289287 2.683789 2.162751 21 H 4.652271 4.443076 5.978029 3.273960 2.109834 22 C 4.923241 4.665980 6.073101 3.555712 2.533383 23 H 5.968568 5.646073 7.009184 4.447725 3.463528 24 H 4.887465 4.925981 6.431776 4.012084 2.812174 25 H 4.884190 4.497111 5.713885 3.482202 2.808704 11 12 13 14 15 11 C 0.000000 12 H 4.392093 0.000000 13 H 5.574338 2.309020 0.000000 14 H 4.514268 2.557901 1.745742 0.000000 15 H 3.261441 4.301470 6.091037 5.016723 0.000000 16 C 2.440823 4.024375 4.338319 3.712995 5.189941 17 H 1.070527 5.356321 6.364599 5.305508 4.157417 18 H 4.634861 3.015851 1.746862 1.763401 6.044596 19 H 5.012306 2.239411 2.745284 3.700192 6.010645 20 H 3.330510 3.611453 3.631228 3.412072 5.704664 21 H 2.632228 4.743943 5.247965 4.765363 5.639740 22 C 3.104355 5.048780 4.858719 3.922227 5.870502 23 H 4.072517 5.737603 5.259781 4.568863 6.929356 24 H 2.889927 5.746766 5.784010 4.661966 5.781576 25 H 3.501428 4.791152 4.311333 3.177065 5.771600 16 17 18 19 20 16 C 0.000000 17 H 2.617388 0.000000 18 H 2.925189 5.215924 0.000000 19 H 3.721917 5.705606 2.907522 0.000000 20 H 1.067669 3.639938 2.233754 2.890715 0.000000 21 H 1.085461 2.492144 3.873700 4.138355 1.709013 22 C 1.530856 3.012567 3.223675 4.942132 2.145817 23 H 2.151406 3.850321 3.524855 5.262898 2.440154 24 H 2.184296 2.513085 4.222387 5.824515 3.055008 25 H 2.175379 3.641484 2.748598 4.992198 2.534142 21 22 23 24 25 21 H 0.000000 22 C 2.154045 0.000000 23 H 2.483943 1.085617 0.000000 24 H 2.511947 1.083330 1.754360 0.000000 25 H 3.063481 1.085835 1.755080 1.753444 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.342397 1.292415 -0.314660 2 6 0 2.262403 1.418845 0.902973 3 8 0 1.999034 0.931578 -1.494431 4 8 0 -3.031993 -2.003192 -0.143143 5 6 0 -2.022546 -1.365786 -0.126890 6 7 0 -2.060137 0.012335 0.054813 7 6 0 -1.030760 0.887041 0.045342 8 16 0 -1.369784 2.506613 0.357755 9 7 0 0.213322 0.349795 -0.149545 10 6 0 0.381760 -1.043262 -0.228994 11 6 0 -0.672707 -1.862135 -0.255511 12 1 0 0.871624 2.244896 -0.449988 13 1 0 2.758720 2.383355 0.873368 14 1 0 1.683687 1.382829 1.817224 15 1 0 -2.965208 0.412379 0.200588 16 6 0 1.760868 -1.676547 -0.285296 17 1 0 -0.541116 -2.920709 -0.345697 18 1 0 3.029290 0.658751 0.937086 19 1 0 2.581496 1.639320 -1.763219 20 1 0 2.524638 -0.965465 -0.510985 21 1 0 1.760615 -2.366059 -1.123628 22 6 0 2.108539 -2.429969 1.001172 23 1 0 3.098734 -2.865306 0.908653 24 1 0 1.409304 -3.231057 1.208375 25 1 0 2.116401 -1.764353 1.859036 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7775094 0.7052050 0.4199994 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 942.3823883487 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.04D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999888 0.012411 -0.002817 0.007856 Ang= 1.71 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.075786275 A.U. after 14 cycles NFock= 14 Conv=0.39D-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 0.003603912 0.002700080 -0.001550408 2 6 -0.003319105 0.000378694 -0.001783073 3 8 0.006490461 -0.005347822 0.002384227 4 8 0.000359698 -0.000037104 0.000651448 5 6 0.001708462 -0.000539449 -0.000796870 6 7 0.003370796 -0.000497144 -0.001181464 7 6 -0.005988996 0.002720122 0.004489612 8 16 -0.000128180 -0.001384080 -0.001711519 9 7 0.001136779 -0.000191412 0.004387304 10 6 0.001854561 -0.002368054 -0.005077822 11 6 -0.000955467 0.001847744 0.000270069 12 1 -0.000345621 0.000388687 -0.001244678 13 1 0.000182837 -0.000800473 -0.001098618 14 1 0.000568239 0.000498266 -0.000080073 15 1 -0.000200831 -0.001430816 0.000487594 16 6 -0.001754633 -0.001736448 -0.001210193 17 1 -0.000538028 0.000179952 0.000181576 18 1 -0.002886371 -0.000583435 -0.000257181 19 1 -0.006635722 0.004678772 -0.000759259 20 1 0.004316389 -0.000666632 0.000938236 21 1 -0.000721141 0.002049766 0.000543763 22 6 0.000064802 -0.000291377 0.002924951 23 1 -0.000098593 0.000462444 0.000121942 24 1 0.000370497 0.000078163 -0.000419973 25 1 -0.000454746 -0.000108444 -0.000209593 ------------------------------------------------------------------- Cartesian Forces: Max 0.006635722 RMS 0.002260159 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008055972 RMS 0.001650877 Search for a local minimum. Step number 6 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 DE= -4.11D-03 DEPred=-6.13D-03 R= 6.71D-01 TightC=F SS= 1.41D+00 RLast= 5.40D-01 DXNew= 7.1352D-01 1.6199D+00 Trust test= 6.71D-01 RLast= 5.40D-01 DXMaxT set to 7.14D-01 ITU= 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00221 0.00230 0.00403 0.01098 0.01363 Eigenvalues --- 0.01462 0.01673 0.01742 0.01901 0.01930 Eigenvalues --- 0.02056 0.02164 0.02346 0.03812 0.03897 Eigenvalues --- 0.04680 0.05277 0.05296 0.05354 0.05574 Eigenvalues --- 0.05781 0.06354 0.08660 0.09299 0.12911 Eigenvalues --- 0.15244 0.15935 0.15996 0.15999 0.16000 Eigenvalues --- 0.16000 0.16005 0.16205 0.16227 0.18915 Eigenvalues --- 0.21866 0.23111 0.23482 0.24654 0.24933 Eigenvalues --- 0.25015 0.26713 0.26898 0.28293 0.28480 Eigenvalues --- 0.31084 0.31626 0.33737 0.34753 0.34786 Eigenvalues --- 0.34827 0.34840 0.34848 0.34863 0.34911 Eigenvalues --- 0.35524 0.36236 0.38547 0.41865 0.42418 Eigenvalues --- 0.42742 0.43126 0.46449 0.47899 0.49018 Eigenvalues --- 0.56317 0.61461 0.87955 1.44258 RFO step: Lambda=-2.17974128D-03 EMin= 2.20873262D-03 Quartic linear search produced a step of -0.11046. Iteration 1 RMS(Cart)= 0.06043814 RMS(Int)= 0.00165091 Iteration 2 RMS(Cart)= 0.00231410 RMS(Int)= 0.00020450 Iteration 3 RMS(Cart)= 0.00000218 RMS(Int)= 0.00020449 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00020449 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89383 -0.00379 -0.00076 -0.00796 -0.00872 2.88511 R2 2.64105 -0.00024 0.00030 -0.00142 -0.00112 2.63993 R3 2.79693 -0.00408 -0.00013 -0.00686 -0.00699 2.78993 R4 2.02400 0.00036 0.00008 0.00043 0.00051 2.02451 R5 2.05058 0.00009 -0.00004 0.00009 0.00005 2.05063 R6 2.04585 0.00023 -0.00030 0.00118 0.00088 2.04673 R7 2.04145 0.00184 0.00093 0.00174 0.00267 2.04412 R8 1.80507 -0.00806 0.00015 -0.02193 -0.02178 1.78328 R9 2.25625 -0.00055 0.00057 -0.00316 -0.00259 2.25366 R10 2.62777 -0.00082 0.00034 -0.00517 -0.00482 2.62295 R11 2.72866 0.00008 0.00049 -0.00185 -0.00151 2.72715 R12 2.55275 -0.00430 0.00063 -0.01339 -0.01263 2.54012 R13 1.89014 -0.00152 -0.00003 -0.00403 -0.00406 1.88608 R14 3.18213 -0.00092 0.00018 -0.00342 -0.00324 3.17889 R15 2.58717 -0.00196 -0.00056 -0.00266 -0.00307 2.58410 R16 2.65592 -0.00263 -0.00196 0.00672 0.00477 2.66068 R17 2.52344 0.00121 -0.00015 0.00373 0.00344 2.52688 R18 2.86974 0.00098 0.00035 0.00464 0.00500 2.87474 R19 2.02300 0.00042 -0.00006 0.00155 0.00149 2.02449 R20 2.01760 0.00411 0.00148 0.00369 0.00517 2.02277 R21 2.05122 -0.00108 -0.00026 -0.00242 -0.00267 2.04855 R22 2.89290 0.00212 0.00017 0.00773 0.00790 2.90080 R23 2.05152 -0.00036 -0.00007 -0.00096 -0.00102 2.05050 R24 2.04720 -0.00024 -0.00001 -0.00102 -0.00104 2.04616 R25 2.05193 -0.00043 -0.00007 -0.00114 -0.00120 2.05073 A1 1.99354 -0.00092 -0.00111 -0.01539 -0.01694 1.97660 A2 2.00665 -0.00575 -0.00354 -0.02439 -0.02823 1.97842 A3 1.86619 0.00332 0.00525 0.02060 0.02609 1.89227 A4 1.86310 0.00323 0.00208 -0.00347 -0.00210 1.86100 A5 1.90653 -0.00085 -0.00295 0.01145 0.00857 1.91510 A6 1.81848 0.00122 0.00029 0.01586 0.01634 1.83482 A7 1.90337 -0.00104 0.00162 -0.00789 -0.00627 1.89710 A8 1.92579 0.00027 0.00124 0.00032 0.00158 1.92737 A9 1.97524 -0.00175 -0.00479 0.00022 -0.00457 1.97067 A10 1.87246 0.00062 0.00041 0.00424 0.00468 1.87714 A11 1.87713 0.00153 0.00186 0.00410 0.00592 1.88305 A12 1.90646 0.00050 -0.00011 -0.00068 -0.00078 1.90568 A13 1.91000 -0.00143 -0.00065 -0.00891 -0.00956 1.90044 A14 2.10367 -0.00048 0.00039 -0.00335 -0.00288 2.10079 A15 2.22136 -0.00020 -0.00032 -0.00104 -0.00128 2.22009 A16 1.95798 0.00068 -0.00018 0.00428 0.00396 1.96194 A17 2.23981 -0.00043 -0.00040 -0.00279 -0.00307 2.23674 A18 2.02627 0.00025 0.00034 0.00158 0.00183 2.02809 A19 2.01703 0.00019 0.00006 0.00136 0.00132 2.01835 A20 2.05789 0.00020 0.00068 -0.00135 -0.00190 2.05600 A21 2.02567 0.00080 -0.00037 0.00754 0.00639 2.03206 A22 2.19788 -0.00087 -0.00015 -0.00162 -0.00299 2.19489 A23 2.04786 0.00237 0.00216 -0.01047 -0.00836 2.03950 A24 2.13356 -0.00338 -0.00294 0.01214 0.00916 2.14272 A25 2.10123 0.00101 0.00082 -0.00213 -0.00112 2.10012 A26 2.11099 -0.00073 -0.00003 -0.00464 -0.00491 2.10608 A27 2.12266 -0.00361 -0.00341 0.00698 0.00353 2.12619 A28 2.04953 0.00434 0.00314 -0.00239 0.00071 2.05024 A29 2.12425 -0.00131 -0.00008 0.00005 -0.00036 2.12390 A30 2.05141 0.00039 -0.00000 -0.00255 -0.00245 2.04896 A31 2.10713 0.00092 0.00003 0.00301 0.00314 2.11027 A32 1.96032 -0.00077 -0.00026 -0.01000 -0.01030 1.95002 A33 1.86850 -0.00047 -0.00077 -0.00109 -0.00184 1.86665 A34 1.96095 0.00024 -0.00011 -0.00275 -0.00289 1.95806 A35 1.83379 0.00100 0.00221 0.01276 0.01496 1.84876 A36 1.92086 -0.00008 -0.00110 -0.00148 -0.00265 1.91821 A37 1.91395 0.00013 0.00021 0.00399 0.00420 1.91814 A38 1.91016 0.00060 -0.00045 0.00552 0.00507 1.91523 A39 1.95852 -0.00091 0.00097 -0.00841 -0.00744 1.95107 A40 1.94322 0.00037 -0.00041 0.00224 0.00182 1.94505 A41 1.88440 0.00012 -0.00009 0.00089 0.00080 1.88520 A42 1.88235 -0.00026 -0.00009 0.00148 0.00138 1.88373 A43 1.88269 0.00007 0.00004 -0.00149 -0.00146 1.88123 D1 1.40486 -0.00016 0.00891 -0.06619 -0.05744 1.34742 D2 -2.82584 0.00014 0.01116 -0.06557 -0.05460 -2.88044 D3 -0.68365 -0.00026 0.00855 -0.06606 -0.05770 -0.74135 D4 -2.71547 -0.00136 0.00791 -0.10519 -0.09707 -2.81253 D5 -0.66298 -0.00106 0.01016 -0.10457 -0.09422 -0.75720 D6 1.47921 -0.00145 0.00756 -0.10507 -0.09732 1.38188 D7 -0.70637 -0.00086 0.00964 -0.08559 -0.07596 -0.78233 D8 1.34611 -0.00056 0.01189 -0.08498 -0.07311 1.27300 D9 -2.79488 -0.00096 0.00929 -0.08547 -0.07622 -2.87110 D10 -1.16400 -0.00346 0.00283 -0.05513 -0.05230 -1.21629 D11 2.88116 0.00220 0.00664 -0.00874 -0.00208 2.87907 D12 0.92471 -0.00043 0.00668 -0.03071 -0.02406 0.90066 D13 1.83011 0.00197 0.00459 0.01639 0.02087 1.85098 D14 -1.34659 0.00200 0.01063 0.00109 0.01164 -1.33495 D15 -2.22272 -0.00086 0.00221 -0.02502 -0.02277 -2.24549 D16 0.88377 -0.00083 0.00825 -0.04032 -0.03201 0.85176 D17 -0.20635 0.00011 -0.00011 -0.00638 -0.00645 -0.21280 D18 2.90014 0.00014 0.00593 -0.02168 -0.01569 2.88445 D19 -3.08996 -0.00074 -0.00276 -0.02654 -0.02929 -3.11924 D20 0.03746 -0.00046 -0.00289 -0.01253 -0.01541 0.02205 D21 0.07017 -0.00035 0.00048 -0.02105 -0.02056 0.04960 D22 -3.08560 -0.00007 0.00035 -0.00704 -0.00669 -3.09229 D23 3.13502 -0.00025 0.00182 -0.01772 -0.01586 3.11916 D24 -0.03657 0.00001 0.00023 0.00177 0.00199 -0.03458 D25 -0.02663 -0.00068 -0.00166 -0.02369 -0.02533 -0.05196 D26 3.08496 -0.00041 -0.00326 -0.00420 -0.00747 3.07749 D27 -3.09925 -0.00107 -0.00224 -0.03687 -0.03913 -3.13839 D28 -0.01732 0.00109 0.00173 0.04102 0.04278 0.02545 D29 0.05644 -0.00134 -0.00210 -0.05082 -0.05294 0.00350 D30 3.13838 0.00081 0.00187 0.02707 0.02896 -3.11584 D31 3.02654 -0.00098 0.00298 -0.03159 -0.02863 2.99791 D32 -0.08063 -0.00092 -0.00299 -0.01690 -0.01986 -0.10049 D33 -0.18017 0.00142 0.00732 0.05347 0.06074 -0.11943 D34 2.99585 0.00148 0.00136 0.06816 0.06951 3.06535 D35 -2.98373 -0.00014 -0.00421 -0.00877 -0.01305 -2.99678 D36 0.15988 0.00105 0.00444 0.02081 0.02529 0.18516 D37 0.12171 -0.00008 0.00200 -0.02467 -0.02272 0.09898 D38 -3.01787 0.00111 0.01065 0.00491 0.01561 -3.00226 D39 -0.06323 0.00095 0.00053 0.04553 0.04594 -0.01728 D40 3.10931 0.00068 0.00218 0.02552 0.02756 3.13687 D41 3.07643 -0.00020 -0.00806 0.01716 0.00924 3.08567 D42 -0.03421 -0.00047 -0.00641 -0.00285 -0.00914 -0.04336 D43 -0.25869 -0.00077 0.01401 -0.11187 -0.09794 -0.35662 D44 -2.26282 -0.00129 0.01195 -0.12129 -0.10938 -2.37221 D45 1.91821 -0.00129 0.01225 -0.12385 -0.11163 1.80658 D46 2.88485 0.00039 0.02250 -0.08329 -0.06077 2.82409 D47 0.88071 -0.00013 0.02043 -0.09271 -0.07222 0.80850 D48 -1.22144 -0.00013 0.02074 -0.09527 -0.07446 -1.29590 D49 3.13799 0.00009 -0.00108 0.00151 0.00041 3.13840 D50 1.04643 0.00010 -0.00128 0.00207 0.00079 1.04721 D51 -1.06584 0.00038 -0.00173 0.00830 0.00657 -1.05927 D52 -0.94674 -0.00081 -0.00235 -0.01486 -0.01721 -0.96395 D53 -3.03830 -0.00079 -0.00255 -0.01429 -0.01684 -3.05514 D54 1.13262 -0.00051 -0.00299 -0.00807 -0.01106 1.12156 D55 1.06229 0.00043 -0.00019 0.00196 0.00177 1.06407 D56 -1.02927 0.00045 -0.00039 0.00252 0.00215 -1.02712 D57 -3.14154 0.00073 -0.00083 0.00875 0.00793 -3.13361 Item Value Threshold Converged? Maximum Force 0.008056 0.000450 NO RMS Force 0.001651 0.000300 NO Maximum Displacement 0.289564 0.001800 NO RMS Displacement 0.060927 0.001200 NO Predicted change in Energy=-1.494806D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.012706 -4.965692 2.071337 2 6 0 7.135469 -5.151468 3.581745 3 8 0 6.975755 -6.172428 1.368484 4 8 0 2.802273 -2.104542 0.075025 5 6 0 3.645272 -2.778001 0.583028 6 7 0 4.937290 -2.292526 0.729853 7 6 0 6.005407 -2.919041 1.252741 8 16 0 7.460207 -2.076232 1.307646 9 7 0 5.811521 -4.206519 1.670741 10 6 0 4.522072 -4.771788 1.657364 11 6 0 3.489582 -4.103060 1.133164 12 1 0 7.841329 -4.376158 1.734335 13 1 0 8.163835 -5.404190 3.818674 14 1 0 6.899018 -4.228409 4.096647 15 1 0 5.097517 -1.361584 0.407636 16 6 0 4.235625 -6.130962 2.277679 17 1 0 2.507695 -4.531257 1.117094 18 1 0 6.502919 -5.942498 3.961520 19 1 0 7.825897 -6.579352 1.415286 20 1 0 5.126787 -6.714656 2.382052 21 1 0 3.606496 -6.670892 1.579231 22 6 0 3.527310 -6.011386 3.634266 23 1 0 3.339871 -7.000874 4.038207 24 1 0 2.577097 -5.499495 3.547781 25 1 0 4.133050 -5.466993 4.351463 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.526733 0.000000 3 O 1.396990 2.442620 0.000000 4 O 5.468015 6.352750 5.969815 0.000000 5 C 4.282601 5.177559 4.819875 1.192586 0.000000 6 N 3.640432 4.597698 4.429089 2.241079 1.388004 7 C 2.423537 3.418337 3.396984 3.508631 2.457366 8 S 3.021996 3.838497 4.125193 4.818350 3.946046 9 N 1.476370 2.509522 2.304691 4.002523 2.813613 10 C 2.532239 3.267605 2.840036 3.546225 2.428614 11 C 3.746559 4.515218 4.060919 2.363499 1.443146 12 H 1.071325 2.124210 2.027228 5.771103 4.635354 13 H 2.137888 1.085146 2.829339 7.324544 6.146844 14 H 2.158330 1.083084 3.350817 6.121076 5.003605 15 H 4.407431 5.347096 5.253116 2.435315 2.036177 16 C 3.018711 3.327025 2.887329 4.808143 3.802986 17 H 4.625413 5.279721 4.766571 2.657373 2.157131 18 H 2.187882 1.081701 2.645804 6.597692 5.440074 19 H 1.922390 2.684974 0.943673 6.859812 5.711440 20 H 2.590775 2.813827 2.177157 5.654988 4.574782 21 H 3.840852 4.332708 3.412446 4.874522 4.018522 22 C 3.960329 3.709586 4.129343 5.334539 4.447330 23 H 4.636838 4.246790 4.586218 6.322175 5.464813 24 H 4.705260 4.571765 4.954833 4.861733 4.163807 25 H 3.707115 3.115533 4.180523 5.600444 4.655073 6 7 8 9 10 6 N 0.000000 7 C 1.344175 0.000000 8 S 2.597255 1.682196 0.000000 9 N 2.304977 1.367448 2.718110 0.000000 10 C 2.679445 2.407629 4.002619 1.407973 0.000000 11 C 2.352988 2.783087 4.461427 2.385601 1.337168 12 H 3.712674 2.392850 2.370016 2.037877 3.343638 13 H 5.443700 4.173583 4.227962 3.403148 4.281779 14 H 4.351014 3.255885 3.567257 2.658599 3.448947 15 H 0.998073 1.991015 2.627364 3.193570 3.677289 16 C 4.197820 3.807763 5.270648 2.560333 1.521248 17 H 3.326380 3.853781 5.530898 3.365597 2.099396 18 H 5.120270 4.089780 4.786174 2.956235 3.256294 19 H 5.214475 4.091269 4.519227 3.123028 3.773744 20 H 4.724501 4.056354 5.302280 2.695474 2.159997 21 H 4.654304 4.465171 6.002978 3.308118 2.109734 22 C 4.924792 4.623334 6.030445 3.511495 2.536591 23 H 5.972060 5.614736 6.977480 4.418413 3.469126 24 H 4.878103 4.866134 6.370377 3.956838 2.808231 25 H 4.882633 4.427173 5.641991 3.404752 2.809416 11 12 13 14 15 11 C 0.000000 12 H 4.401556 0.000000 13 H 5.545588 2.346344 0.000000 14 H 4.519092 2.547606 1.749140 0.000000 15 H 3.259991 4.286758 6.113931 5.007284 0.000000 16 C 2.445175 4.046686 4.281787 3.744599 5.194890 17 H 1.071314 5.371471 6.328702 5.315371 4.154195 18 H 4.523641 3.033994 1.751806 1.764442 5.965738 19 H 5.001524 2.226229 2.696569 3.684526 5.973652 20 H 3.325747 3.640996 3.606226 3.501723 5.705660 21 H 2.608908 4.819095 5.233448 4.810801 5.637777 22 C 3.146211 4.989436 4.679749 3.842033 5.873444 23 H 4.105973 5.697376 5.086081 4.511930 6.933394 24 H 2.934798 5.680019 5.594114 4.538273 5.773677 25 H 3.554126 4.668042 4.066330 3.041316 5.773937 16 17 18 19 20 16 C 0.000000 17 H 2.625215 0.000000 18 H 2.830453 5.103350 0.000000 19 H 3.719520 5.706740 2.939245 0.000000 20 H 1.070403 3.636894 2.232641 2.870215 0.000000 21 H 1.084046 2.449280 3.820357 4.223576 1.719803 22 C 1.535036 3.092984 2.994343 4.870760 2.149641 23 H 2.158374 3.914642 3.336302 5.213619 2.453128 24 H 2.182344 2.617354 3.972344 5.767454 3.055562 25 H 2.179898 3.738786 2.448355 4.847226 2.534316 21 22 23 24 25 21 H 0.000000 22 C 2.159719 0.000000 23 H 2.495304 1.085075 0.000000 24 H 2.511379 1.082782 1.753990 0.000000 25 H 3.067882 1.085198 1.755008 1.751557 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.302947 1.319333 -0.310459 2 6 0 2.231507 1.403419 0.898516 3 8 0 1.964662 0.972912 -1.491013 4 8 0 -3.001930 -2.047427 -0.131159 5 6 0 -2.001801 -1.397892 -0.120739 6 7 0 -2.059356 -0.023977 0.067936 7 6 0 -1.042823 0.855345 0.084016 8 16 0 -1.411642 2.476311 0.341358 9 7 0 0.206287 0.345784 -0.139558 10 6 0 0.397491 -1.044728 -0.250486 11 6 0 -0.647560 -1.878924 -0.252309 12 1 0 0.818854 2.267281 -0.432056 13 1 0 2.783402 2.336425 0.848999 14 1 0 1.656973 1.412105 1.816616 15 1 0 -2.968089 0.363694 0.209592 16 6 0 1.786881 -1.660320 -0.320051 17 1 0 -0.506758 -2.937249 -0.340827 18 1 0 2.948800 0.594598 0.935637 19 1 0 2.514137 1.692972 -1.755794 20 1 0 2.522551 -0.944778 -0.624274 21 1 0 1.761154 -2.411125 -1.101579 22 6 0 2.202826 -2.304387 1.009800 23 1 0 3.195345 -2.732518 0.914939 24 1 0 1.523727 -3.095062 1.303184 25 1 0 2.228998 -1.574930 1.812834 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7883400 0.7041519 0.4227247 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.5998344177 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.04D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999948 0.001485 -0.002425 -0.009746 Ang= 1.16 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.076890467 A.U. after 12 cycles NFock= 12 Conv=0.74D-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 -0.004404316 -0.003219066 0.002970324 2 6 0.000709791 0.000431607 -0.000606958 3 8 -0.001723701 0.000814684 0.000189371 4 8 -0.002143201 0.001061263 -0.001634836 5 6 0.000684400 0.000275457 0.002241640 6 7 -0.000932040 0.000796531 0.001150412 7 6 0.001191713 -0.003092952 -0.005580313 8 16 0.000700212 0.002104332 0.001788069 9 7 -0.000866042 0.003103581 0.002188369 10 6 -0.000066478 -0.000057829 -0.001203283 11 6 0.001065628 -0.001276127 -0.000738920 12 1 -0.000885300 -0.000172917 -0.000237897 13 1 0.000146963 -0.001000618 0.000464493 14 1 0.000941157 0.000308756 -0.000232227 15 1 -0.000223486 0.000637383 -0.000063163 16 6 0.001331485 0.000370069 0.001454566 17 1 0.000236620 -0.000207884 -0.000087100 18 1 -0.000832413 0.000520592 -0.000966756 19 1 0.004719481 -0.002170397 -0.001029520 20 1 0.001924879 -0.001020403 -0.000548234 21 1 -0.000803396 0.001292847 0.000753479 22 6 -0.000014387 0.000437781 0.000305171 23 1 0.000173505 -0.000006242 -0.000083060 24 1 -0.000351547 0.000231827 -0.000295635 25 1 -0.000579529 -0.000162274 -0.000197994 ------------------------------------------------------------------- Cartesian Forces: Max 0.005580313 RMS 0.001535701 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005136559 RMS 0.001163608 Search for a local minimum. Step number 7 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 DE= -1.10D-03 DEPred=-1.49D-03 R= 7.39D-01 TightC=F SS= 1.41D+00 RLast= 3.70D-01 DXNew= 1.2000D+00 1.1114D+00 Trust test= 7.39D-01 RLast= 3.70D-01 DXMaxT set to 1.11D+00 ITU= 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00213 0.00231 0.00359 0.01075 0.01346 Eigenvalues --- 0.01460 0.01670 0.01703 0.01899 0.01930 Eigenvalues --- 0.02113 0.02315 0.02990 0.03916 0.03991 Eigenvalues --- 0.05188 0.05329 0.05376 0.05539 0.05780 Eigenvalues --- 0.06162 0.06255 0.08654 0.09274 0.12858 Eigenvalues --- 0.15208 0.15911 0.15999 0.16000 0.16000 Eigenvalues --- 0.16005 0.16044 0.16190 0.16344 0.18513 Eigenvalues --- 0.21890 0.23015 0.23540 0.24561 0.24926 Eigenvalues --- 0.25056 0.25170 0.26970 0.28335 0.28442 Eigenvalues --- 0.30151 0.31531 0.34211 0.34581 0.34791 Eigenvalues --- 0.34831 0.34836 0.34843 0.34858 0.34882 Eigenvalues --- 0.35278 0.36493 0.39288 0.42245 0.42583 Eigenvalues --- 0.42927 0.43305 0.46625 0.48176 0.50075 Eigenvalues --- 0.56339 0.61272 0.88102 1.42787 RFO step: Lambda=-1.56043834D-03 EMin= 2.12514577D-03 Quartic linear search produced a step of -0.12666. Iteration 1 RMS(Cart)= 0.06606013 RMS(Int)= 0.00208815 Iteration 2 RMS(Cart)= 0.00247203 RMS(Int)= 0.00006744 Iteration 3 RMS(Cart)= 0.00000359 RMS(Int)= 0.00006738 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006738 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88511 -0.00128 0.00110 -0.00755 -0.00644 2.87866 R2 2.63993 0.00151 0.00014 0.00113 0.00127 2.64120 R3 2.78993 0.00138 0.00089 -0.00171 -0.00082 2.78911 R4 2.02451 -0.00071 -0.00006 -0.00079 -0.00086 2.02365 R5 2.05063 0.00047 -0.00001 0.00137 0.00136 2.05199 R6 2.04673 -0.00005 -0.00011 0.00077 0.00066 2.04739 R7 2.04412 -0.00023 -0.00034 -0.00031 -0.00065 2.04347 R8 1.78328 0.00514 0.00276 0.00185 0.00461 1.78790 R9 2.25366 0.00281 0.00033 0.00125 0.00158 2.25524 R10 2.62295 0.00089 0.00061 0.00105 0.00164 2.62459 R11 2.72715 0.00058 0.00019 0.00080 0.00096 2.72811 R12 2.54012 0.00223 0.00160 -0.00051 0.00110 2.54122 R13 1.88608 0.00058 0.00051 -0.00036 0.00016 1.88624 R14 3.17889 0.00172 0.00041 0.00100 0.00141 3.18030 R15 2.58410 0.00157 0.00039 0.00101 0.00143 2.58553 R16 2.66068 -0.00255 -0.00060 -0.00171 -0.00229 2.65839 R17 2.52688 -0.00092 -0.00044 -0.00024 -0.00068 2.52620 R18 2.87474 -0.00077 -0.00063 -0.00213 -0.00276 2.87198 R19 2.02449 -0.00013 -0.00019 0.00061 0.00042 2.02491 R20 2.02277 0.00211 -0.00065 0.00603 0.00538 2.02815 R21 2.04855 -0.00066 0.00034 -0.00214 -0.00180 2.04675 R22 2.90080 0.00016 -0.00100 0.00246 0.00146 2.90226 R23 2.05050 -0.00006 0.00013 -0.00039 -0.00026 2.05024 R24 2.04616 0.00044 0.00013 0.00099 0.00112 2.04729 R25 2.05073 -0.00054 0.00015 -0.00152 -0.00137 2.04936 A1 1.97660 -0.00041 0.00215 0.00038 0.00251 1.97911 A2 1.97842 0.00008 0.00358 -0.00222 0.00133 1.97975 A3 1.89227 0.00054 -0.00330 -0.00001 -0.00336 1.88891 A4 1.86100 0.00123 0.00027 0.01383 0.01416 1.87516 A5 1.91510 -0.00087 -0.00109 -0.00842 -0.00949 1.90560 A6 1.83482 -0.00064 -0.00207 -0.00425 -0.00632 1.82850 A7 1.89710 0.00099 0.00079 -0.00093 -0.00013 1.89697 A8 1.92737 -0.00005 -0.00020 -0.00365 -0.00385 1.92351 A9 1.97067 -0.00167 0.00058 -0.00223 -0.00165 1.96902 A10 1.87714 -0.00021 -0.00059 0.00255 0.00195 1.87909 A11 1.88305 0.00025 -0.00075 0.00111 0.00036 1.88341 A12 1.90568 0.00075 0.00010 0.00347 0.00356 1.90925 A13 1.90044 0.00114 0.00121 0.00417 0.00538 1.90582 A14 2.10079 0.00083 0.00036 0.00080 0.00114 2.10193 A15 2.22009 -0.00015 0.00016 0.00035 0.00049 2.22058 A16 1.96194 -0.00067 -0.00050 -0.00093 -0.00143 1.96051 A17 2.23674 -0.00005 0.00039 0.00030 0.00075 2.23749 A18 2.02809 -0.00024 -0.00023 -0.00177 -0.00203 2.02606 A19 2.01835 0.00028 -0.00017 0.00148 0.00128 2.01964 A20 2.05600 -0.00060 0.00024 0.00012 -0.00003 2.05596 A21 2.03206 -0.00075 -0.00081 0.00123 0.00021 2.03227 A22 2.19489 0.00140 0.00038 -0.00041 -0.00042 2.19447 A23 2.03950 0.00498 0.00106 0.00752 0.00842 2.04792 A24 2.14272 -0.00496 -0.00116 -0.00770 -0.00900 2.13372 A25 2.10012 -0.00002 0.00014 -0.00078 -0.00059 2.09953 A26 2.10608 0.00133 0.00062 0.00174 0.00234 2.10842 A27 2.12619 -0.00253 -0.00045 -0.00239 -0.00299 2.12320 A28 2.05024 0.00118 -0.00009 -0.00055 -0.00080 2.04944 A29 2.12390 0.00022 0.00005 0.00010 0.00014 2.12403 A30 2.04896 0.00010 0.00031 0.00125 0.00151 2.05047 A31 2.11027 -0.00033 -0.00040 -0.00152 -0.00197 2.10830 A32 1.95002 -0.00015 0.00130 0.00287 0.00418 1.95420 A33 1.86665 0.00003 0.00023 -0.00751 -0.00738 1.85927 A34 1.95806 -0.00050 0.00037 -0.00512 -0.00482 1.95323 A35 1.84876 0.00029 -0.00190 0.00723 0.00538 1.85414 A36 1.91821 0.00105 0.00034 0.01186 0.01222 1.93043 A37 1.91814 -0.00073 -0.00053 -0.00954 -0.01014 1.90800 A38 1.91523 -0.00020 -0.00064 0.00209 0.00145 1.91668 A39 1.95107 -0.00045 0.00094 -0.00698 -0.00603 1.94504 A40 1.94505 0.00053 -0.00023 0.00536 0.00513 1.95018 A41 1.88520 0.00025 -0.00010 0.00094 0.00084 1.88604 A42 1.88373 -0.00007 -0.00017 0.00020 0.00002 1.88375 A43 1.88123 -0.00006 0.00018 -0.00157 -0.00138 1.87985 D1 1.34742 -0.00150 0.00728 -0.13288 -0.12558 1.22184 D2 -2.88044 -0.00119 0.00692 -0.13246 -0.12552 -3.00596 D3 -0.74135 -0.00144 0.00731 -0.13224 -0.12490 -0.86625 D4 -2.81253 -0.00010 0.01229 -0.11584 -0.10358 -2.91611 D5 -0.75720 0.00021 0.01193 -0.11541 -0.10351 -0.86072 D6 1.38188 -0.00004 0.01233 -0.11520 -0.10290 1.27898 D7 -0.78233 -0.00050 0.00962 -0.12240 -0.11277 -0.89510 D8 1.27300 -0.00019 0.00926 -0.12197 -0.11271 1.16029 D9 -2.87110 -0.00044 0.00965 -0.12175 -0.11210 -2.98319 D10 -1.21629 -0.00031 0.00662 -0.05306 -0.04640 -1.26270 D11 2.87907 -0.00105 0.00026 -0.06070 -0.06049 2.81859 D12 0.90066 -0.00053 0.00305 -0.05888 -0.05581 0.84484 D13 1.85098 0.00027 -0.00264 0.00926 0.00661 1.85759 D14 -1.33495 0.00010 -0.00147 -0.01566 -0.01714 -1.35209 D15 -2.24549 0.00072 0.00288 0.01851 0.02141 -2.22408 D16 0.85176 0.00055 0.00405 -0.00642 -0.00233 0.84943 D17 -0.21280 -0.00002 0.00082 0.01317 0.01397 -0.19883 D18 2.88445 -0.00019 0.00199 -0.01175 -0.00977 2.87468 D19 -3.11924 0.00056 0.00371 0.01023 0.01394 -3.10530 D20 0.02205 0.00046 0.00195 0.01398 0.01591 0.03797 D21 0.04960 0.00028 0.00260 0.00249 0.00510 0.05470 D22 -3.09229 0.00019 0.00085 0.00624 0.00707 -3.08521 D23 3.11916 0.00030 0.00201 -0.00030 0.00172 3.12088 D24 -0.03458 -0.00035 -0.00025 -0.01566 -0.01594 -0.05051 D25 -0.05196 0.00062 0.00321 0.00809 0.01130 -0.04065 D26 3.07749 -0.00004 0.00095 -0.00727 -0.00635 3.07114 D27 -3.13839 0.00119 0.00496 0.02619 0.03111 -3.10727 D28 0.02545 -0.00110 -0.00542 -0.01707 -0.02251 0.00294 D29 0.00350 0.00128 0.00671 0.02246 0.02915 0.03265 D30 -3.11584 -0.00101 -0.00367 -0.02080 -0.02448 -3.14032 D31 2.99791 0.00064 0.00363 -0.00318 0.00032 2.99822 D32 -0.10049 0.00094 0.00252 0.02129 0.02381 -0.07668 D33 -0.11943 -0.00183 -0.00769 -0.05035 -0.05813 -0.17756 D34 3.06535 -0.00153 -0.00880 -0.02588 -0.03464 3.03071 D35 -2.99678 0.00005 0.00165 0.01344 0.01498 -2.98180 D36 0.18516 0.00052 -0.00320 0.04968 0.04639 0.23155 D37 0.09898 -0.00000 0.00288 -0.01212 -0.00924 0.08974 D38 -3.00226 0.00047 -0.00198 0.02411 0.02217 -2.98009 D39 -0.01728 -0.00078 -0.00582 -0.00345 -0.00927 -0.02655 D40 3.13687 -0.00010 -0.00349 0.01243 0.00895 -3.13736 D41 3.08567 -0.00131 -0.00117 -0.03820 -0.03944 3.04623 D42 -0.04336 -0.00064 0.00116 -0.02232 -0.02122 -0.06458 D43 -0.35662 -0.00056 0.01240 -0.14199 -0.12956 -0.48618 D44 -2.37221 -0.00084 0.01385 -0.14776 -0.13385 -2.50606 D45 1.80658 0.00034 0.01414 -0.12804 -0.11389 1.69268 D46 2.82409 -0.00011 0.00770 -0.10691 -0.09924 2.72485 D47 0.80850 -0.00040 0.00915 -0.11268 -0.10354 0.70496 D48 -1.29590 0.00079 0.00943 -0.09296 -0.08358 -1.37948 D49 3.13840 -0.00035 -0.00005 0.00247 0.00244 3.14084 D50 1.04721 -0.00025 -0.00010 0.00438 0.00429 1.05151 D51 -1.05927 -0.00023 -0.00083 0.00749 0.00668 -1.05259 D52 -0.96395 -0.00011 0.00218 0.01140 0.01359 -0.95036 D53 -3.05514 -0.00001 0.00213 0.01330 0.01545 -3.03970 D54 1.12156 0.00001 0.00140 0.01642 0.01784 1.13939 D55 1.06407 0.00043 -0.00022 0.02151 0.02125 1.08531 D56 -1.02712 0.00053 -0.00027 0.02341 0.02310 -1.00402 D57 -3.13361 0.00054 -0.00100 0.02653 0.02549 -3.10812 Item Value Threshold Converged? Maximum Force 0.005137 0.000450 NO RMS Force 0.001164 0.000300 NO Maximum Displacement 0.259172 0.001800 NO RMS Displacement 0.066044 0.001200 NO Predicted change in Energy=-9.707635D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.993047 -4.971621 2.086677 2 6 0 7.094784 -5.170942 3.593473 3 8 0 6.991617 -6.169890 1.367223 4 8 0 2.801911 -2.123895 0.025620 5 6 0 3.641083 -2.791739 0.549098 6 7 0 4.924780 -2.293589 0.730569 7 6 0 5.991490 -2.917222 1.261212 8 16 0 7.422109 -2.042222 1.402660 9 7 0 5.799520 -4.207132 1.675049 10 6 0 4.518453 -4.786001 1.622603 11 6 0 3.491486 -4.127402 1.076127 12 1 0 7.822907 -4.372791 1.771240 13 1 0 8.091879 -5.529771 3.830430 14 1 0 6.954673 -4.226849 4.106194 15 1 0 5.077169 -1.353624 0.431308 16 6 0 4.225604 -6.133789 2.260924 17 1 0 2.514898 -4.566873 1.039705 18 1 0 6.383286 -5.893013 3.969927 19 1 0 7.860103 -6.544759 1.385533 20 1 0 5.097588 -6.758394 2.298027 21 1 0 3.520655 -6.636315 1.610077 22 6 0 3.608348 -5.983719 3.659203 23 1 0 3.412830 -6.963545 4.082055 24 1 0 2.671583 -5.440743 3.622402 25 1 0 4.270198 -5.454161 4.335666 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523323 0.000000 3 O 1.397664 2.442280 0.000000 4 O 5.470203 6.359467 5.976923 0.000000 5 C 4.283888 5.182362 4.827764 1.193421 0.000000 6 N 3.645354 4.602640 4.438789 2.243284 1.388872 7 C 2.430034 3.425777 3.404606 3.511335 2.459119 8 S 3.038643 3.833496 4.150208 4.821736 3.947974 9 N 1.475936 2.507387 2.316952 4.005765 2.816018 10 C 2.524566 3.266495 2.845506 3.547348 2.428842 11 C 3.740968 4.517717 4.062931 2.364977 1.443653 12 H 1.070872 2.118429 2.020851 5.771926 4.634761 13 H 2.135331 1.085866 2.772674 7.352573 6.170377 14 H 2.152813 1.083432 3.358383 6.190228 5.068762 15 H 4.415964 5.351820 5.266638 2.436124 2.035778 16 C 3.006616 3.306805 2.907031 4.806531 3.800173 17 H 4.616686 5.278446 4.766335 2.660618 2.158724 18 H 2.183438 1.081358 2.687154 6.526105 5.370256 19 H 1.928252 2.710736 0.946114 6.854102 5.708320 20 H 2.613425 2.861289 2.190908 5.649119 4.573239 21 H 3.880188 4.342301 3.510571 4.836220 3.990106 22 C 3.866958 3.580526 4.090763 5.362042 4.456743 23 H 4.557109 4.124188 4.561569 6.344296 5.471549 24 H 4.610160 4.431517 4.927493 4.894415 4.171613 25 H 3.564366 2.934170 4.090238 5.641191 4.671443 6 7 8 9 10 6 N 0.000000 7 C 1.344756 0.000000 8 S 2.598373 1.682945 0.000000 9 N 2.306266 1.368204 2.719160 0.000000 10 C 2.678235 2.406819 4.000990 1.406760 0.000000 11 C 2.353001 2.783669 4.461434 2.385809 1.336806 12 H 3.715537 2.394347 2.393334 2.032435 3.333505 13 H 5.487488 4.223497 4.301821 3.413202 4.265802 14 H 4.387801 3.276700 3.507163 2.691697 3.523640 15 H 0.998155 1.992377 2.629912 3.195496 3.675944 16 C 4.192609 3.803168 5.262622 2.555869 1.519785 17 H 3.327300 3.854492 5.530491 3.364791 2.098100 18 H 5.057325 4.043016 4.743270 2.906792 3.195779 19 H 5.207451 4.082425 4.523823 3.129588 3.783657 20 H 4.735111 4.077824 5.333607 2.718409 2.163777 21 H 4.648050 4.478659 6.030760 3.331423 2.102242 22 C 4.891518 4.564332 5.930612 3.448820 2.531908 23 H 5.943647 5.565912 6.890058 4.368956 3.465978 24 H 4.831581 4.792198 6.248576 3.885611 2.799788 25 H 4.838845 4.341794 5.493487 3.312521 2.805134 11 12 13 14 15 11 C 0.000000 12 H 4.393701 0.000000 13 H 5.542242 2.377228 0.000000 14 H 4.602701 2.495424 1.751254 0.000000 15 H 3.259452 4.295331 6.171120 5.028442 0.000000 16 C 2.443003 4.035034 4.216192 3.806476 5.188703 17 H 1.071535 5.361696 6.310154 5.406531 4.154558 18 H 4.455779 3.036085 1.752340 1.766679 5.902019 19 H 5.002416 2.206263 2.657338 3.687073 5.966838 20 H 3.315829 3.660051 3.580999 3.623113 5.718094 21 H 2.565268 4.864041 5.201010 4.881455 5.631968 22 C 3.183056 4.891013 4.509705 3.805822 5.832197 23 H 4.133461 5.612544 4.900257 4.476018 6.897042 24 H 2.980037 5.577048 5.425018 4.477996 5.716158 25 H 3.604342 4.513024 3.855675 2.960635 5.719233 16 17 18 19 20 16 C 0.000000 17 H 2.621663 0.000000 18 H 2.763016 5.030832 0.000000 19 H 3.760956 5.709891 3.047107 0.000000 20 H 1.073249 3.613368 2.279726 2.917152 0.000000 21 H 1.083091 2.370540 3.783655 4.346219 1.724789 22 C 1.535809 3.172515 2.793754 4.854047 2.161194 23 H 2.160003 3.975703 3.159465 5.217744 2.462367 24 H 2.179202 2.731030 3.755271 5.757012 3.061973 25 H 2.183676 3.838192 2.188949 4.772852 2.556868 21 22 23 24 25 21 H 0.000000 22 C 2.152322 0.000000 23 H 2.495873 1.084938 0.000000 24 H 2.489934 1.083377 1.754895 0.000000 25 H 3.064007 1.084472 1.754320 1.750570 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.380730 1.220817 -0.338967 2 6 0 2.318522 1.260149 0.860830 3 8 0 2.014201 0.843546 -1.526336 4 8 0 -3.121086 -1.880049 -0.135486 5 6 0 -2.084195 -1.289272 -0.125785 6 7 0 -2.060049 0.086326 0.064247 7 6 0 -0.994831 0.907105 0.065213 8 16 0 -1.262231 2.539671 0.374289 9 7 0 0.223880 0.323842 -0.150500 10 6 0 0.330981 -1.074012 -0.266715 11 6 0 -0.760252 -1.846178 -0.271266 12 1 0 0.953503 2.195008 -0.462236 13 1 0 3.000878 2.096410 0.741818 14 1 0 1.754583 1.423024 1.771472 15 1 0 -2.943623 0.523236 0.221479 16 6 0 1.681423 -1.770454 -0.298699 17 1 0 -0.678344 -2.911219 -0.355916 18 1 0 2.909650 0.360188 0.960697 19 1 0 2.566948 1.551910 -1.822684 20 1 0 2.450725 -1.136572 -0.696483 21 1 0 1.584529 -2.599021 -0.989477 22 6 0 2.083150 -2.305678 1.083640 23 1 0 3.049199 -2.795600 1.021861 24 1 0 1.363979 -3.026561 1.453541 25 1 0 2.158778 -1.509550 1.816131 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7969621 0.6976737 0.4258921 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.2218383992 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.04D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999609 0.005055 -0.001116 0.027487 Ang= 3.21 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.077650047 A.U. after 13 cycles NFock= 13 Conv=0.35D-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 0.000781991 -0.000296261 0.001222811 2 6 0.000449327 -0.000973204 -0.000229930 3 8 -0.002889189 -0.000453228 0.000760371 4 8 -0.000794417 0.000472836 0.000168468 5 6 0.000777975 -0.000424898 -0.000820097 6 7 -0.001026684 -0.000107752 -0.000477298 7 6 -0.000065851 -0.000219696 0.001960249 8 16 0.000934304 -0.000103053 -0.000311014 9 7 -0.001337104 0.000276514 -0.001094241 10 6 -0.000674130 0.000789579 0.000752292 11 6 0.000127190 -0.000868623 -0.000490505 12 1 0.000101762 0.000715043 0.000173447 13 1 -0.000202118 -0.000505908 0.000065986 14 1 0.000381674 -0.000063670 -0.000353086 15 1 0.000145643 0.000479317 -0.000161363 16 6 0.001053656 0.000098311 0.000451747 17 1 0.000336300 0.000091601 -0.000277689 18 1 0.000931322 0.000683823 -0.000737139 19 1 0.002038108 0.000008589 -0.000737510 20 1 0.001051160 -0.000071592 -0.000255912 21 1 -0.000390478 0.000271648 0.000490117 22 6 -0.000293109 0.000569995 0.000583168 23 1 0.000144064 -0.000151293 -0.000095550 24 1 -0.000144711 -0.000040171 -0.000411742 25 1 -0.001436685 -0.000177906 -0.000175584 ------------------------------------------------------------------- Cartesian Forces: Max 0.002889189 RMS 0.000739567 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003802712 RMS 0.000794277 Search for a local minimum. Step number 8 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 7 8 DE= -7.60D-04 DEPred=-9.71D-04 R= 7.82D-01 TightC=F SS= 1.41D+00 RLast= 4.69D-01 DXNew= 1.8692D+00 1.4076D+00 Trust test= 7.82D-01 RLast= 4.69D-01 DXMaxT set to 1.41D+00 ITU= 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00197 0.00253 0.00459 0.01048 0.01264 Eigenvalues --- 0.01465 0.01680 0.01890 0.01929 0.01964 Eigenvalues --- 0.02117 0.02329 0.03307 0.03875 0.04012 Eigenvalues --- 0.05167 0.05343 0.05394 0.05491 0.05757 Eigenvalues --- 0.05891 0.06573 0.08414 0.09223 0.12927 Eigenvalues --- 0.15159 0.15869 0.15993 0.15996 0.16000 Eigenvalues --- 0.16002 0.16040 0.16133 0.16383 0.18388 Eigenvalues --- 0.21898 0.23054 0.23514 0.24644 0.24892 Eigenvalues --- 0.25041 0.26779 0.27022 0.28394 0.28469 Eigenvalues --- 0.30073 0.31797 0.33776 0.34524 0.34778 Eigenvalues --- 0.34826 0.34831 0.34843 0.34872 0.34895 Eigenvalues --- 0.35614 0.36323 0.38970 0.42182 0.42447 Eigenvalues --- 0.42791 0.43117 0.46498 0.48020 0.49367 Eigenvalues --- 0.56329 0.61750 0.87988 1.40777 RFO step: Lambda=-1.80101281D-03 EMin= 1.96755577D-03 Quartic linear search produced a step of -0.10154. Iteration 1 RMS(Cart)= 0.10940940 RMS(Int)= 0.00531757 Iteration 2 RMS(Cart)= 0.00692412 RMS(Int)= 0.00015897 Iteration 3 RMS(Cart)= 0.00002407 RMS(Int)= 0.00015787 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00015787 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87866 -0.00102 0.00065 -0.00983 -0.00918 2.86948 R2 2.64120 0.00037 -0.00013 0.00250 0.00237 2.64357 R3 2.78911 0.00179 0.00008 0.00132 0.00140 2.79051 R4 2.02365 0.00043 0.00009 0.00006 0.00015 2.02380 R5 2.05199 -0.00000 -0.00014 0.00148 0.00134 2.05333 R6 2.04739 -0.00027 -0.00007 -0.00011 -0.00018 2.04721 R7 2.04347 -0.00133 0.00007 -0.00391 -0.00384 2.03963 R8 1.78790 0.00185 -0.00047 0.00613 0.00567 1.79356 R9 2.25524 0.00075 -0.00016 0.00253 0.00236 2.25760 R10 2.62459 0.00015 -0.00017 0.00269 0.00243 2.62702 R11 2.72811 0.00030 -0.00010 0.00229 0.00209 2.73020 R12 2.54122 0.00122 -0.00011 0.00304 0.00293 2.54415 R13 1.88624 0.00052 -0.00002 0.00056 0.00054 1.88678 R14 3.18030 0.00071 -0.00014 0.00154 0.00140 3.18171 R15 2.58553 -0.00033 -0.00015 0.00008 0.00003 2.58557 R16 2.65839 -0.00011 0.00023 -0.00503 -0.00469 2.65370 R17 2.52620 -0.00022 0.00007 -0.00122 -0.00115 2.52505 R18 2.87198 -0.00019 0.00028 -0.00361 -0.00332 2.86865 R19 2.02491 -0.00033 -0.00004 0.00019 0.00015 2.02506 R20 2.02815 0.00089 -0.00055 0.00933 0.00878 2.03693 R21 2.04675 -0.00017 0.00018 -0.00283 -0.00264 2.04410 R22 2.90226 0.00062 -0.00015 0.00367 0.00352 2.90578 R23 2.05024 0.00007 0.00003 -0.00028 -0.00025 2.04999 R24 2.04729 0.00012 -0.00011 0.00125 0.00113 2.04842 R25 2.04936 -0.00107 0.00014 -0.00416 -0.00402 2.04534 A1 1.97911 -0.00102 -0.00025 0.00132 0.00092 1.98003 A2 1.97975 0.00380 -0.00013 0.01721 0.01703 1.99678 A3 1.88891 -0.00077 0.00034 -0.00620 -0.00579 1.88312 A4 1.87516 -0.00194 -0.00144 0.00648 0.00491 1.88007 A5 1.90560 0.00095 0.00096 -0.00616 -0.00520 1.90041 A6 1.82850 -0.00105 0.00064 -0.01468 -0.01399 1.81451 A7 1.89697 0.00022 0.00001 -0.00034 -0.00033 1.89664 A8 1.92351 -0.00020 0.00039 -0.00373 -0.00334 1.92018 A9 1.96902 -0.00038 0.00017 -0.00436 -0.00420 1.96482 A10 1.87909 0.00009 -0.00020 0.00292 0.00273 1.88182 A11 1.88341 -0.00015 -0.00004 -0.00143 -0.00147 1.88194 A12 1.90925 0.00043 -0.00036 0.00725 0.00688 1.91613 A13 1.90582 -0.00045 -0.00055 0.00295 0.00240 1.90822 A14 2.10193 0.00027 -0.00012 0.00223 0.00219 2.10412 A15 2.22058 -0.00017 -0.00005 -0.00019 -0.00017 2.22041 A16 1.96051 -0.00010 0.00015 -0.00201 -0.00201 1.95849 A17 2.23749 -0.00020 -0.00008 0.00004 -0.00007 2.23742 A18 2.02606 0.00016 0.00021 -0.00140 -0.00120 2.02486 A19 2.01964 0.00004 -0.00013 0.00137 0.00124 2.02088 A20 2.05596 0.00068 0.00000 0.00267 0.00261 2.05857 A21 2.03227 -0.00014 -0.00002 -0.00043 -0.00026 2.03202 A22 2.19447 -0.00052 0.00004 -0.00284 -0.00288 2.19159 A23 2.04792 -0.00081 -0.00085 0.00849 0.00664 2.05456 A24 2.13372 0.00059 0.00091 -0.01288 -0.01284 2.12088 A25 2.09953 0.00016 0.00006 -0.00016 -0.00062 2.09891 A26 2.10842 0.00011 -0.00024 0.00278 0.00273 2.11115 A27 2.12320 -0.00005 0.00030 -0.00724 -0.00701 2.11619 A28 2.04944 -0.00003 0.00008 0.00400 0.00399 2.05343 A29 2.12403 0.00011 -0.00001 -0.00040 -0.00051 2.12352 A30 2.05047 -0.00014 -0.00015 0.00162 0.00142 2.05189 A31 2.10830 0.00003 0.00020 -0.00181 -0.00165 2.10665 A32 1.95420 -0.00084 -0.00042 0.00434 0.00374 1.95794 A33 1.85927 0.00036 0.00075 -0.01297 -0.01248 1.84679 A34 1.95323 0.00042 0.00049 -0.00233 -0.00208 1.95115 A35 1.85414 0.00029 -0.00055 0.00794 0.00760 1.86173 A36 1.93043 0.00133 -0.00124 0.02621 0.02497 1.95540 A37 1.90800 -0.00166 0.00103 -0.02539 -0.02446 1.88354 A38 1.91668 -0.00037 -0.00015 -0.00022 -0.00041 1.91627 A39 1.94504 -0.00082 0.00061 -0.01112 -0.01050 1.93453 A40 1.95018 0.00145 -0.00052 0.01403 0.01351 1.96369 A41 1.88604 0.00032 -0.00009 0.00007 -0.00004 1.88600 A42 1.88375 -0.00025 -0.00000 0.00058 0.00053 1.88428 A43 1.87985 -0.00034 0.00014 -0.00344 -0.00326 1.87659 D1 1.22184 -0.00015 0.01275 -0.13487 -0.12214 1.09970 D2 -3.00596 -0.00002 0.01275 -0.13367 -0.12095 -3.12690 D3 -0.86625 0.00012 0.01268 -0.13011 -0.11745 -0.98370 D4 -2.91611 -0.00055 0.01052 -0.11137 -0.10083 -3.01694 D5 -0.86072 -0.00043 0.01051 -0.11018 -0.09964 -0.96036 D6 1.27898 -0.00028 0.01045 -0.10661 -0.09614 1.18284 D7 -0.89510 -0.00015 0.01145 -0.12354 -0.11209 -1.00720 D8 1.16029 -0.00002 0.01144 -0.12234 -0.11091 1.04938 D9 -2.98319 0.00013 0.01138 -0.11878 -0.10741 -3.09060 D10 -1.26270 0.00062 0.00471 -0.07292 -0.06823 -1.33093 D11 2.81859 -0.00211 0.00614 -0.10116 -0.09499 2.72359 D12 0.84484 -0.00036 0.00567 -0.08433 -0.07866 0.76618 D13 1.85759 0.00058 -0.00067 -0.01039 -0.01118 1.84641 D14 -1.35209 -0.00043 0.00174 -0.08696 -0.08523 -1.43732 D15 -2.22408 0.00046 -0.00217 0.00843 0.00625 -2.21783 D16 0.84943 -0.00056 0.00024 -0.06814 -0.06781 0.78162 D17 -0.19883 0.00017 -0.00142 -0.00271 -0.00416 -0.20299 D18 2.87468 -0.00085 0.00099 -0.07928 -0.07821 2.79646 D19 -3.10530 -0.00004 -0.00142 0.01264 0.01123 -3.09407 D20 0.03797 -0.00035 -0.00162 0.00299 0.00133 0.03930 D21 0.05470 0.00025 -0.00052 0.01104 0.01055 0.06525 D22 -3.08521 -0.00005 -0.00072 0.00139 0.00065 -3.08456 D23 3.12088 0.00039 -0.00017 0.01618 0.01603 3.13691 D24 -0.05051 0.00020 0.00162 -0.00640 -0.00484 -0.05535 D25 -0.04065 0.00008 -0.00115 0.01794 0.01680 -0.02386 D26 3.07114 -0.00012 0.00065 -0.00464 -0.00407 3.06706 D27 -3.10727 -0.00096 -0.00316 -0.00694 -0.01020 -3.11747 D28 0.00294 -0.00002 0.00229 -0.02658 -0.02434 -0.02140 D29 0.03265 -0.00066 -0.00296 0.00268 -0.00033 0.03232 D30 -3.14032 0.00029 0.00249 -0.01696 -0.01447 3.12840 D31 2.99822 -0.00154 -0.00003 -0.06184 -0.06228 2.93595 D32 -0.07668 -0.00057 -0.00242 0.01368 0.01131 -0.06537 D33 -0.17756 -0.00048 0.00590 -0.08313 -0.07752 -0.25508 D34 3.03071 0.00049 0.00352 -0.00760 -0.00393 3.02679 D35 -2.98180 0.00200 -0.00152 0.09163 0.08979 -2.89201 D36 0.23155 0.00153 -0.00471 0.09938 0.09437 0.32592 D37 0.08974 0.00092 0.00094 0.01316 0.01413 0.10388 D38 -2.98009 0.00045 -0.00225 0.02091 0.01871 -2.96138 D39 -0.02655 -0.00064 0.00094 -0.02962 -0.02878 -0.05533 D40 -3.13736 -0.00043 -0.00091 -0.00636 -0.00731 3.13851 D41 3.04623 -0.00019 0.00400 -0.03750 -0.03364 3.01260 D42 -0.06458 0.00001 0.00215 -0.01424 -0.01217 -0.07675 D43 -0.48618 0.00075 0.01316 0.05808 0.07123 -0.41495 D44 -2.50606 0.00064 0.01359 0.05395 0.06757 -2.43849 D45 1.69268 0.00219 0.01156 0.09437 0.10589 1.79857 D46 2.72485 0.00030 0.01008 0.06561 0.07570 2.80054 D47 0.70496 0.00018 0.01051 0.06148 0.07204 0.77700 D48 -1.37948 0.00174 0.00849 0.10190 0.11035 -1.26912 D49 3.14084 -0.00029 -0.00025 0.01673 0.01649 -3.12585 D50 1.05151 0.00008 -0.00044 0.02389 0.02345 1.07496 D51 -1.05259 0.00009 -0.00068 0.02632 0.02568 -1.02691 D52 -0.95036 -0.00006 -0.00138 0.04069 0.03941 -0.91096 D53 -3.03970 0.00030 -0.00157 0.04786 0.04637 -2.99333 D54 1.13939 0.00031 -0.00181 0.05029 0.04860 1.18799 D55 1.08531 0.00008 -0.00216 0.05043 0.04815 1.13346 D56 -1.00402 0.00044 -0.00235 0.05759 0.05511 -0.94891 D57 -3.10812 0.00045 -0.00259 0.06002 0.05734 -3.05078 Item Value Threshold Converged? Maximum Force 0.003803 0.000450 NO RMS Force 0.000794 0.000300 NO Maximum Displacement 0.528463 0.001800 NO RMS Displacement 0.109609 0.001200 NO Predicted change in Energy=-1.128264D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.006998 -4.976469 2.077630 2 6 0 7.210424 -5.181646 3.568353 3 8 0 6.963319 -6.171731 1.352084 4 8 0 2.798668 -2.168953 0.013846 5 6 0 3.642046 -2.820097 0.554187 6 7 0 4.912408 -2.296408 0.765065 7 6 0 5.984140 -2.904686 1.307215 8 16 0 7.399869 -2.008645 1.473406 9 7 0 5.804395 -4.194173 1.727868 10 6 0 4.535180 -4.790970 1.657708 11 6 0 3.510773 -4.161303 1.075015 12 1 0 7.818388 -4.379604 1.713860 13 1 0 8.177000 -5.652321 3.725966 14 1 0 7.220796 -4.224864 4.076372 15 1 0 5.050950 -1.352003 0.472157 16 6 0 4.254590 -6.125587 2.324393 17 1 0 2.544628 -4.621777 1.021295 18 1 0 6.457206 -5.819260 4.005450 19 1 0 7.843550 -6.513564 1.256395 20 1 0 5.151108 -6.707768 2.462886 21 1 0 3.631303 -6.675576 1.632236 22 6 0 3.469261 -5.954936 3.635338 23 1 0 3.300693 -6.924636 4.091484 24 1 0 2.503760 -5.498411 3.449866 25 1 0 3.990547 -5.334612 4.352924 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518465 0.000000 3 O 1.398919 2.439913 0.000000 4 O 5.463642 6.416730 5.929370 0.000000 5 C 4.277116 5.234065 4.785493 1.194673 0.000000 6 N 3.645937 4.632914 4.423681 2.246881 1.390158 7 C 2.435583 3.435268 3.410922 3.515869 2.461627 8 S 3.054081 3.806918 4.187670 4.829811 3.952803 9 N 1.476677 2.517818 2.322725 4.009212 2.818043 10 C 2.514086 3.310607 2.809940 3.548623 2.428948 11 C 3.727375 4.576598 4.004830 2.366988 1.444759 12 H 1.070949 2.109985 2.018352 5.742353 4.606380 13 H 2.131360 1.086576 2.716270 7.405413 6.216710 14 H 2.146064 1.083339 3.358322 6.347133 5.214078 15 H 4.420454 5.377352 5.259391 2.439310 2.036428 16 C 2.992843 3.342964 2.878320 4.807628 3.799356 17 H 4.599391 5.345148 4.694317 2.663800 2.160687 18 H 2.174640 1.079325 2.724103 6.530126 5.369481 19 H 1.933109 2.742263 0.949112 6.772770 5.638035 20 H 2.567128 2.791395 2.192104 5.668563 4.586326 21 H 3.805346 4.334799 3.381519 4.860258 4.003376 22 C 3.987410 3.820833 4.179556 5.281909 4.398928 23 H 4.646252 4.312502 4.635300 6.284559 5.429203 24 H 4.736518 4.718799 4.974104 4.793589 4.105365 25 H 3.795288 3.317613 4.306179 5.501779 4.568878 6 7 8 9 10 6 N 0.000000 7 C 1.346305 0.000000 8 S 2.602310 1.683686 0.000000 9 N 2.307410 1.368223 2.717870 0.000000 10 C 2.676182 2.404245 3.997717 1.404278 0.000000 11 C 2.353398 2.783980 4.462928 2.384953 1.336197 12 H 3.699275 2.388558 2.419591 2.022560 3.309355 13 H 5.539552 4.267141 4.353657 3.427513 4.275800 14 H 4.473516 3.307630 3.423320 2.742736 3.658270 15 H 0.998444 1.994740 2.636494 3.197251 3.673967 16 C 4.186506 3.794759 5.250349 2.547175 1.518026 17 H 3.328570 3.854918 5.532290 3.362763 2.096652 18 H 5.029610 3.999876 4.671258 2.873056 3.203663 19 H 5.159206 4.060049 4.531914 3.124102 3.751492 20 H 4.732829 4.061151 5.302618 2.699110 2.168362 21 H 4.644386 4.456578 6.000630 3.299824 2.090307 22 C 4.868877 4.587897 5.974683 3.491645 2.530222 23 H 5.923106 5.577906 6.915529 4.394387 3.464067 24 H 4.823128 4.840600 6.329040 3.944681 2.799817 25 H 4.790954 4.376676 5.565713 3.388447 2.802920 11 12 13 14 15 11 C 0.000000 12 H 4.360198 0.000000 13 H 5.569951 2.407692 0.000000 14 H 4.772468 2.441828 1.753495 0.000000 15 H 3.260023 4.285662 6.233152 5.094302 0.000000 16 C 2.443895 4.015204 4.192098 3.934533 5.181898 17 H 1.071615 5.324551 6.332526 5.599784 4.156275 18 H 4.474119 3.029326 1.750335 1.769237 5.866694 19 H 4.933457 2.182589 2.636610 3.684867 5.920756 20 H 3.331872 3.618808 3.444614 3.612722 5.714652 21 H 2.578098 4.775964 5.108240 4.986406 5.630417 22 C 3.126355 5.008858 4.718326 4.154717 5.804691 23 H 4.096246 5.704372 5.052797 4.759853 6.871475 24 H 2.905486 5.701817 5.682039 4.925937 5.705053 25 H 3.514474 4.746480 4.245045 3.426737 5.660917 16 17 18 19 20 16 C 0.000000 17 H 2.623639 0.000000 18 H 2.787706 5.064328 0.000000 19 H 3.764543 5.631404 3.156155 0.000000 20 H 1.077896 3.636384 2.207904 2.956785 0.000000 21 H 1.081692 2.402541 3.788291 4.232083 1.732289 22 C 1.537673 3.076602 3.013836 5.010573 2.184036 23 H 2.161252 3.911631 3.345569 5.370685 2.474551 24 H 2.173809 2.582270 4.005165 5.861332 3.073293 25 H 2.193239 3.701158 2.537721 5.081738 2.608583 21 22 23 24 25 21 H 0.000000 22 C 2.134947 0.000000 23 H 2.493840 1.084806 0.000000 24 H 2.441485 1.083977 1.755248 0.000000 25 H 3.054404 1.082345 1.752834 1.747249 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.417501 1.188948 -0.366003 2 6 0 2.374079 1.302693 0.807776 3 8 0 2.030108 0.743692 -1.542198 4 8 0 -3.153749 -1.798506 -0.192279 5 6 0 -2.103260 -1.230630 -0.157182 6 7 0 -2.048341 0.141109 0.061577 7 6 0 -0.963568 0.938248 0.080897 8 16 0 -1.192030 2.573901 0.408376 9 7 0 0.244680 0.327206 -0.116070 10 6 0 0.318690 -1.069104 -0.245825 11 6 0 -0.789193 -1.814259 -0.298376 12 1 0 0.994306 2.157110 -0.540644 13 1 0 3.126882 2.049865 0.571832 14 1 0 1.840816 1.636359 1.689774 15 1 0 -2.923775 0.595038 0.217957 16 6 0 1.653706 -1.791568 -0.232427 17 1 0 -0.727941 -2.879258 -0.400267 18 1 0 2.883912 0.374941 1.018227 19 1 0 2.527798 1.454931 -1.925940 20 1 0 2.467551 -1.148201 -0.524992 21 1 0 1.579732 -2.561637 -0.988455 22 6 0 1.917753 -2.478094 1.117907 23 1 0 2.884555 -2.969694 1.097250 24 1 0 1.163279 -3.228943 1.322848 25 1 0 1.915869 -1.780032 1.945057 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7824657 0.7030261 0.4249551 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.0228214599 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.04D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999886 -0.000043 0.002779 0.014844 Ang= -1.73 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.077829631 A.U. after 13 cycles NFock= 13 Conv=0.51D-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 0.006457513 0.003201248 -0.003222999 2 6 -0.000738285 -0.000545608 0.000343533 3 8 -0.001376200 -0.001589597 0.001345237 4 8 0.001452438 -0.000566314 0.001603181 5 6 0.000149048 -0.001128531 -0.002364023 6 7 -0.000835163 -0.000376693 -0.000393621 7 6 -0.000661365 0.001619544 0.003738836 8 16 0.000382292 -0.001596017 -0.000745577 9 7 -0.001948375 -0.001480659 -0.002099332 10 6 -0.000335155 0.001446341 0.001639555 11 6 -0.000735070 0.000482742 -0.000188480 12 1 0.001612744 0.000525405 0.000394409 13 1 -0.000602439 0.000137549 -0.000327057 14 1 -0.000583888 -0.000385902 -0.000151594 15 1 0.000398225 0.000206047 -0.000058894 16 6 -0.000379984 -0.001162539 -0.000896917 17 1 0.000167230 0.000542860 -0.000084870 18 1 -0.001287777 0.000024429 0.001575092 19 1 -0.001440906 0.001797830 -0.000417587 20 1 -0.003704106 0.001654418 0.000811299 21 1 0.000935137 -0.002589706 -0.000890308 22 6 0.000607121 -0.000473545 -0.000480405 23 1 0.000105560 -0.000199239 -0.000106426 24 1 0.000429144 -0.000385220 0.000272291 25 1 0.001932261 0.000841158 0.000704656 ------------------------------------------------------------------- Cartesian Forces: Max 0.006457513 RMS 0.001492212 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003870142 RMS 0.001089257 Search for a local minimum. Step number 9 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 8 9 DE= -1.80D-04 DEPred=-1.13D-03 R= 1.59D-01 Trust test= 1.59D-01 RLast= 4.92D-01 DXMaxT set to 1.41D+00 ITU= 0 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00219 0.00273 0.00532 0.01062 0.01229 Eigenvalues --- 0.01570 0.01673 0.01876 0.01930 0.02068 Eigenvalues --- 0.02124 0.02328 0.03203 0.03944 0.04216 Eigenvalues --- 0.05305 0.05374 0.05480 0.05600 0.05841 Eigenvalues --- 0.06210 0.06608 0.08689 0.09188 0.13260 Eigenvalues --- 0.15157 0.15972 0.15982 0.15988 0.16002 Eigenvalues --- 0.16007 0.16090 0.16284 0.16422 0.19006 Eigenvalues --- 0.21915 0.23115 0.23510 0.24693 0.24813 Eigenvalues --- 0.25081 0.26715 0.27509 0.28364 0.28910 Eigenvalues --- 0.30084 0.31732 0.33967 0.34763 0.34819 Eigenvalues --- 0.34831 0.34840 0.34862 0.34880 0.35146 Eigenvalues --- 0.36219 0.36669 0.39114 0.42230 0.42500 Eigenvalues --- 0.42853 0.43094 0.46543 0.48090 0.49551 Eigenvalues --- 0.56322 0.61385 0.88142 1.40199 RFO step: Lambda=-4.04465082D-04 EMin= 2.19486453D-03 Quartic linear search produced a step of -0.46377. Iteration 1 RMS(Cart)= 0.04389604 RMS(Int)= 0.00078653 Iteration 2 RMS(Cart)= 0.00111884 RMS(Int)= 0.00006468 Iteration 3 RMS(Cart)= 0.00000052 RMS(Int)= 0.00006468 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86948 0.00109 0.00426 -0.00037 0.00389 2.87337 R2 2.64357 -0.00057 -0.00110 0.00018 -0.00092 2.64265 R3 2.79051 -0.00012 -0.00065 0.00385 0.00320 2.79371 R4 2.02380 0.00138 -0.00007 0.00189 0.00183 2.02563 R5 2.05333 -0.00064 -0.00062 -0.00060 -0.00122 2.05211 R6 2.04721 -0.00042 0.00008 -0.00093 -0.00085 2.04636 R7 2.03963 0.00152 0.00178 -0.00088 0.00090 2.04053 R8 1.79356 -0.00194 -0.00263 0.00246 -0.00016 1.79340 R9 2.25760 -0.00206 -0.00110 -0.00065 -0.00175 2.25585 R10 2.62702 -0.00026 -0.00113 0.00065 -0.00043 2.62659 R11 2.73020 -0.00028 -0.00097 0.00019 -0.00073 2.72947 R12 2.54415 -0.00057 -0.00136 0.00146 0.00011 2.54425 R13 1.88678 0.00027 -0.00025 0.00105 0.00080 1.88758 R14 3.18171 -0.00060 -0.00065 -0.00006 -0.00071 3.18100 R15 2.58557 -0.00188 -0.00002 -0.00105 -0.00111 2.58445 R16 2.65370 0.00030 0.00218 0.00047 0.00259 2.65629 R17 2.52505 0.00036 0.00053 -0.00038 0.00014 2.52519 R18 2.86865 0.00179 0.00154 0.00146 0.00300 2.87165 R19 2.02506 -0.00038 -0.00007 -0.00039 -0.00046 2.02460 R20 2.03693 -0.00387 -0.00407 -0.00449 -0.00856 2.02837 R21 2.04410 0.00135 0.00123 0.00144 0.00267 2.04677 R22 2.90578 -0.00126 -0.00163 -0.00143 -0.00306 2.90272 R23 2.04999 0.00012 0.00012 0.00025 0.00037 2.05036 R24 2.04842 -0.00059 -0.00053 -0.00040 -0.00092 2.04750 R25 2.04534 0.00188 0.00186 0.00079 0.00266 2.04799 A1 1.98003 0.00102 -0.00043 -0.00162 -0.00209 1.97794 A2 1.99678 -0.00297 -0.00790 0.00286 -0.00509 1.99169 A3 1.88312 0.00050 0.00269 -0.00069 0.00197 1.88509 A4 1.88007 -0.00056 -0.00228 -0.01003 -0.01230 1.86777 A5 1.90041 0.00030 0.00241 0.00667 0.00912 1.90953 A6 1.81451 0.00192 0.00649 0.00382 0.01032 1.82483 A7 1.89664 -0.00032 0.00015 0.00030 0.00045 1.89709 A8 1.92018 -0.00038 0.00155 -0.00392 -0.00237 1.91781 A9 1.96482 0.00124 0.00195 0.00450 0.00645 1.97127 A10 1.88182 0.00037 -0.00126 0.00191 0.00065 1.88246 A11 1.88194 -0.00007 0.00068 -0.00128 -0.00061 1.88133 A12 1.91613 -0.00085 -0.00319 -0.00149 -0.00468 1.91145 A13 1.90822 -0.00120 -0.00111 -0.00295 -0.00407 1.90416 A14 2.10412 -0.00088 -0.00102 -0.00086 -0.00199 2.10213 A15 2.22041 -0.00008 0.00008 -0.00026 -0.00030 2.22011 A16 1.95849 0.00095 0.00093 0.00076 0.00169 1.96019 A17 2.23742 -0.00042 0.00003 -0.00092 -0.00087 2.23655 A18 2.02486 0.00054 0.00056 0.00119 0.00173 2.02659 A19 2.02088 -0.00012 -0.00058 -0.00033 -0.00091 2.01996 A20 2.05857 0.00196 -0.00121 0.00449 0.00319 2.06177 A21 2.03202 -0.00035 0.00012 -0.00127 -0.00135 2.03067 A22 2.19159 -0.00155 0.00134 -0.00221 -0.00096 2.19063 A23 2.05456 -0.00157 -0.00308 -0.00291 -0.00560 2.04896 A24 2.12088 0.00026 0.00596 0.00052 0.00684 2.12773 A25 2.09891 0.00140 0.00029 0.00061 0.00107 2.09998 A26 2.11115 -0.00088 -0.00127 -0.00071 -0.00214 2.10901 A27 2.11619 -0.00170 0.00325 -0.00136 0.00187 2.11806 A28 2.05343 0.00260 -0.00185 0.00333 0.00147 2.05490 A29 2.12352 -0.00072 0.00024 -0.00115 -0.00088 2.12264 A30 2.05189 -0.00005 -0.00066 -0.00025 -0.00089 2.05100 A31 2.10665 0.00078 0.00076 0.00124 0.00203 2.10867 A32 1.95794 0.00091 -0.00174 -0.00152 -0.00327 1.95467 A33 1.84679 0.00080 0.00579 0.00979 0.01559 1.86238 A34 1.95115 -0.00053 0.00096 -0.00059 0.00036 1.95151 A35 1.86173 -0.00073 -0.00352 -0.00437 -0.00790 1.85383 A36 1.95540 -0.00226 -0.01158 -0.00492 -0.01652 1.93887 A37 1.88354 0.00207 0.01134 0.00252 0.01382 1.89737 A38 1.91627 -0.00017 0.00019 -0.00220 -0.00200 1.91427 A39 1.93453 0.00071 0.00487 -0.00120 0.00367 1.93820 A40 1.96369 -0.00161 -0.00627 0.00140 -0.00487 1.95881 A41 1.88600 -0.00006 0.00002 0.00051 0.00054 1.88654 A42 1.88428 0.00057 -0.00025 0.00040 0.00016 1.88445 A43 1.87659 0.00062 0.00151 0.00118 0.00268 1.87926 D1 1.09970 0.00127 0.05664 -0.02468 0.03197 1.13167 D2 -3.12690 0.00131 0.05609 -0.02444 0.03166 -3.09525 D3 -0.98370 0.00080 0.05447 -0.02607 0.02840 -0.95530 D4 -3.01694 -0.00112 0.04676 -0.03748 0.00927 -3.00766 D5 -0.96036 -0.00108 0.04621 -0.03724 0.00896 -0.95140 D6 1.18284 -0.00159 0.04459 -0.03887 0.00570 1.18855 D7 -1.00720 -0.00010 0.05199 -0.03158 0.02041 -0.98678 D8 1.04938 -0.00007 0.05143 -0.03134 0.02010 1.06948 D9 -3.09060 -0.00058 0.04981 -0.03297 0.01684 -3.07376 D10 -1.33093 -0.00234 0.03164 -0.05755 -0.02588 -1.35681 D11 2.72359 0.00127 0.04405 -0.05214 -0.00813 2.71546 D12 0.76618 -0.00083 0.03648 -0.05481 -0.01831 0.74787 D13 1.84641 0.00025 0.00518 0.01277 0.01797 1.86438 D14 -1.43732 0.00107 0.03953 -0.00149 0.03801 -1.39932 D15 -2.21783 -0.00106 -0.00290 0.00461 0.00176 -2.21607 D16 0.78162 -0.00025 0.03145 -0.00965 0.02180 0.80342 D17 -0.20299 -0.00005 0.00193 0.00969 0.01162 -0.19137 D18 2.79646 0.00076 0.03627 -0.00457 0.03166 2.82812 D19 -3.09407 -0.00048 -0.00521 -0.00455 -0.00974 -3.10382 D20 0.03930 -0.00049 -0.00062 -0.01469 -0.01529 0.02401 D21 0.06525 0.00017 -0.00489 0.01619 0.01128 0.07654 D22 -3.08456 0.00015 -0.00030 0.00606 0.00573 -3.07882 D23 3.13691 0.00008 -0.00744 0.01689 0.00946 -3.13682 D24 -0.05535 0.00045 0.00224 0.01348 0.01575 -0.03960 D25 -0.02386 -0.00063 -0.00779 -0.00555 -0.01332 -0.03718 D26 3.06706 -0.00026 0.00189 -0.00896 -0.00703 3.06003 D27 -3.11747 -0.00071 0.00473 -0.02661 -0.02189 -3.13937 D28 -0.02140 0.00051 0.01129 -0.00372 0.00759 -0.01381 D29 0.03232 -0.00070 0.00015 -0.01650 -0.01637 0.01595 D30 3.12840 0.00052 0.00671 0.00639 0.01311 3.14151 D31 2.93595 -0.00006 0.02888 -0.03377 -0.00476 2.93119 D32 -0.06537 -0.00077 -0.00525 -0.01970 -0.02496 -0.09033 D33 -0.25508 0.00137 0.03595 -0.00871 0.02731 -0.22777 D34 3.02679 0.00066 0.00182 0.00537 0.00710 3.03389 D35 -2.89201 -0.00028 -0.04164 0.04473 0.00316 -2.88885 D36 0.32592 -0.00058 -0.04376 0.02460 -0.01908 0.30684 D37 0.10388 0.00031 -0.00656 0.02983 0.02326 0.12713 D38 -2.96138 0.00001 -0.00868 0.00970 0.00102 -2.96036 D39 -0.05533 0.00050 0.01335 -0.01604 -0.00265 -0.05797 D40 3.13851 0.00013 0.00339 -0.01248 -0.00905 3.12946 D41 3.01260 0.00060 0.01560 0.00319 0.01883 3.03143 D42 -0.07675 0.00024 0.00565 0.00676 0.01242 -0.06433 D43 -0.41495 0.00032 -0.03304 -0.00058 -0.03361 -0.44855 D44 -2.43849 0.00026 -0.03134 -0.00037 -0.03167 -2.47016 D45 1.79857 -0.00242 -0.04911 -0.00891 -0.05802 1.74055 D46 2.80054 0.00018 -0.03511 -0.01990 -0.05502 2.74552 D47 0.77700 0.00011 -0.03341 -0.01969 -0.05309 0.72391 D48 -1.26912 -0.00256 -0.05118 -0.02823 -0.07944 -1.34856 D49 -3.12585 0.00116 -0.00765 0.01286 0.00520 -3.12065 D50 1.07496 0.00089 -0.01088 0.01439 0.00351 1.07847 D51 -1.02691 0.00071 -0.01191 0.01277 0.00085 -1.02606 D52 -0.91096 0.00014 -0.01828 0.00638 -0.01190 -0.92286 D53 -2.99333 -0.00013 -0.02150 0.00791 -0.01359 -3.00692 D54 1.18799 -0.00031 -0.02254 0.00629 -0.01625 1.17174 D55 1.13346 -0.00076 -0.02233 -0.00019 -0.02252 1.11095 D56 -0.94891 -0.00102 -0.02556 0.00134 -0.02420 -0.97311 D57 -3.05078 -0.00121 -0.02659 -0.00028 -0.02687 -3.07764 Item Value Threshold Converged? Maximum Force 0.003870 0.000450 NO RMS Force 0.001089 0.000300 NO Maximum Displacement 0.226913 0.001800 NO RMS Displacement 0.044020 0.001200 NO Predicted change in Energy=-4.745864D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.000500 -4.967520 2.085319 2 6 0 7.165131 -5.196686 3.579431 3 8 0 6.962623 -6.152780 1.344146 4 8 0 2.812572 -2.168753 -0.024625 5 6 0 3.649745 -2.821649 0.521174 6 7 0 4.914905 -2.294289 0.751772 7 6 0 5.978768 -2.899867 1.312273 8 16 0 7.401794 -2.015242 1.473456 9 7 0 5.795571 -4.191636 1.722384 10 6 0 4.523210 -4.784899 1.651774 11 6 0 3.506639 -4.156492 1.054015 12 1 0 7.820562 -4.363980 1.750295 13 1 0 8.135767 -5.650022 3.757175 14 1 0 7.140620 -4.248722 4.102318 15 1 0 5.058809 -1.351224 0.455708 16 6 0 4.237927 -6.124861 2.309303 17 1 0 2.539787 -4.613677 0.990649 18 1 0 6.413585 -5.854560 3.989741 19 1 0 7.845487 -6.487481 1.248349 20 1 0 5.125146 -6.720679 2.409088 21 1 0 3.582951 -6.667548 1.638775 22 6 0 3.529462 -5.957594 3.661913 23 1 0 3.361930 -6.931646 4.109555 24 1 0 2.567884 -5.473306 3.540342 25 1 0 4.110624 -5.364887 4.358668 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520524 0.000000 3 O 1.398432 2.439595 0.000000 4 O 5.461108 6.411113 5.913453 0.000000 5 C 4.275379 5.229882 4.769578 1.193746 0.000000 6 N 3.643380 4.634984 4.408175 2.244628 1.389933 7 C 2.432432 3.438436 3.398592 3.513776 2.460955 8 S 3.041604 3.822659 4.162788 4.829986 3.954112 9 N 1.478368 2.516832 2.313257 4.005294 2.815020 10 C 2.521563 3.296237 2.813623 3.546945 2.428075 11 C 3.732080 4.565555 4.001646 2.365650 1.444371 12 H 1.071915 2.113937 2.025048 5.748854 4.613592 13 H 2.133012 1.085929 2.729787 7.399841 6.212550 14 H 2.145831 1.082888 3.356283 6.331661 5.200705 15 H 4.416265 5.383476 5.241065 2.438166 2.037620 16 C 3.003567 3.323139 2.890722 4.809329 3.801917 17 H 4.606677 5.332495 4.696305 2.661362 2.159579 18 H 2.181315 1.079803 2.718373 6.532045 5.372925 19 H 1.929975 2.750088 0.949026 6.752933 5.618839 20 H 2.587537 2.802462 2.198393 5.656057 4.576403 21 H 3.843064 4.331465 3.431323 4.857936 4.005551 22 C 3.938782 3.715356 4.146895 5.334774 4.439917 23 H 4.603750 4.213722 4.606420 6.330749 5.463642 24 H 4.692654 4.605727 4.959707 4.867128 4.161380 25 H 3.698297 3.156820 4.223982 5.577945 4.626752 6 7 8 9 10 6 N 0.000000 7 C 1.346361 0.000000 8 S 2.604479 1.683313 0.000000 9 N 2.305989 1.367633 2.716359 0.000000 10 C 2.677044 2.405672 3.998630 1.405650 0.000000 11 C 2.354223 2.785180 4.464652 2.384778 1.336274 12 H 3.704525 2.393261 2.401786 2.032503 3.325569 13 H 5.537810 4.265389 4.354964 3.426920 4.269862 14 H 4.472111 3.309632 3.459417 2.734319 3.625395 15 H 0.998867 1.994573 2.639377 3.196127 3.675264 16 C 4.190164 3.798050 5.253347 2.551095 1.519614 17 H 3.328335 3.855798 5.533903 3.363583 2.097706 18 H 5.040438 4.011000 4.695595 2.878918 3.191204 19 H 5.139820 4.044713 4.499828 3.114124 3.754872 20 H 4.731154 4.065744 5.310336 2.705012 2.164046 21 H 4.656852 4.476825 6.021199 3.321569 2.104429 22 C 4.879362 4.568326 5.943604 3.466357 2.530495 23 H 5.932243 5.561283 6.887709 4.373654 3.463781 24 H 4.836401 4.818818 6.292607 3.919900 2.804263 25 H 4.804700 4.341291 5.511476 3.341491 2.798908 11 12 13 14 15 11 C 0.000000 12 H 4.374676 0.000000 13 H 5.564758 2.404335 0.000000 14 H 4.744099 2.451045 1.753021 0.000000 15 H 3.261401 4.287183 6.232738 5.101686 0.000000 16 C 2.446427 4.030938 4.185088 3.893639 5.186257 17 H 1.071371 5.340973 6.327928 5.566268 4.156349 18 H 4.466796 3.035874 1.749809 1.766343 5.882589 19 H 4.929186 2.182161 2.660791 3.695135 5.897032 20 H 3.321271 3.640508 3.468066 3.611057 5.714117 21 H 2.579374 4.824542 5.123583 4.957497 5.642792 22 C 3.169482 4.960587 4.617544 4.019286 5.816983 23 H 4.130223 5.660248 4.955426 4.634288 6.882667 24 H 2.965987 5.659108 5.574905 4.767110 5.719373 25 H 3.570119 4.644251 4.079813 3.239200 5.678173 16 17 18 19 20 16 C 0.000000 17 H 2.627966 0.000000 18 H 2.762322 5.053777 0.000000 19 H 3.777778 5.632761 3.156923 0.000000 20 H 1.073366 3.624294 2.215559 2.966808 0.000000 21 H 1.083103 2.393041 3.768353 4.284164 1.724694 22 C 1.536052 3.149797 2.904523 4.973343 2.167505 23 H 2.158513 3.971960 3.238374 5.337234 2.458664 24 H 2.174632 2.690852 3.890596 5.842506 3.061906 25 H 2.189444 3.791490 2.383174 4.988337 2.582304 21 22 23 24 25 21 H 0.000000 22 C 2.144758 0.000000 23 H 2.494665 1.085001 0.000000 24 H 2.464252 1.083488 1.755354 0.000000 25 H 3.061566 1.083752 1.754233 1.749703 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.395546 1.203018 -0.370010 2 6 0 2.372492 1.291006 0.791809 3 8 0 1.987990 0.768909 -1.560040 4 8 0 -3.142716 -1.828973 -0.183163 5 6 0 -2.097352 -1.253186 -0.156477 6 7 0 -2.053551 0.116677 0.074753 7 6 0 -0.974897 0.922076 0.097752 8 16 0 -1.213269 2.559166 0.408648 9 7 0 0.235138 0.322363 -0.118074 10 6 0 0.322754 -1.075247 -0.239983 11 6 0 -0.779603 -1.828676 -0.292702 12 1 0 0.968810 2.175055 -0.518481 13 1 0 3.109632 2.056805 0.569509 14 1 0 1.848284 1.586100 1.692238 15 1 0 -2.932383 0.564103 0.233490 16 6 0 1.666005 -1.785785 -0.246213 17 1 0 -0.712626 -2.892878 -0.396741 18 1 0 2.900728 0.365976 0.968617 19 1 0 2.466961 1.489734 -1.949461 20 1 0 2.457364 -1.146482 -0.588497 21 1 0 1.590599 -2.587885 -0.970133 22 6 0 1.998317 -2.390302 1.126224 23 1 0 2.971080 -2.869410 1.088596 24 1 0 1.266299 -3.136936 1.410183 25 1 0 2.024667 -1.641035 1.908798 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7884096 0.7000257 0.4262797 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.5705113019 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999973 0.001491 -0.003727 -0.006189 Ang= 0.85 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.078351858 A.U. after 12 cycles NFock= 12 Conv=0.55D-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 0.001036279 0.000228121 -0.000891477 2 6 -0.000317026 -0.000022485 -0.000170322 3 8 0.001455758 -0.001741461 0.001249538 4 8 0.000303266 -0.000378548 -0.000676780 5 6 -0.000079298 0.000750131 0.001678675 6 7 0.000218039 0.000250406 -0.000002159 7 6 -0.000403713 -0.000465384 -0.000505225 8 16 -0.000216274 0.000052580 0.000185481 9 7 -0.000386724 0.001144294 0.000874075 10 6 0.000047426 -0.001320065 -0.001807485 11 6 -0.000076283 -0.000239959 -0.000152851 12 1 0.000054073 -0.000127752 0.000044678 13 1 -0.000149401 -0.000022037 -0.000245025 14 1 -0.000091824 0.000075375 0.000153001 15 1 0.000005428 -0.000150194 0.000065328 16 6 -0.000132299 0.000415774 0.000292011 17 1 0.000030973 0.000312739 0.000157769 18 1 -0.000676336 0.000093055 0.000312525 19 1 -0.001499197 0.001030341 -0.000750919 20 1 0.000257114 0.000001123 0.000307265 21 1 0.000247376 0.000097303 -0.000318023 22 6 -0.000195290 -0.000231003 -0.000045346 23 1 -0.000018821 0.000021153 0.000085162 24 1 -0.000007756 -0.000013703 0.000139967 25 1 0.000594511 0.000240196 0.000020138 ------------------------------------------------------------------- Cartesian Forces: Max 0.001807485 RMS 0.000598494 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001682259 RMS 0.000427905 Search for a local minimum. Step number 10 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 8 9 10 DE= -5.22D-04 DEPred=-4.75D-04 R= 1.10D+00 TightC=F SS= 1.41D+00 RLast= 1.88D-01 DXNew= 2.3673D+00 5.6314D-01 Trust test= 1.10D+00 RLast= 1.88D-01 DXMaxT set to 1.41D+00 ITU= 1 0 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00217 0.00257 0.00524 0.00958 0.01174 Eigenvalues --- 0.01578 0.01777 0.01929 0.01940 0.02112 Eigenvalues --- 0.02122 0.02330 0.03459 0.04065 0.04223 Eigenvalues --- 0.05324 0.05325 0.05449 0.05581 0.05815 Eigenvalues --- 0.06153 0.06803 0.08574 0.09284 0.13125 Eigenvalues --- 0.15152 0.15971 0.15983 0.16001 0.16003 Eigenvalues --- 0.16053 0.16065 0.16196 0.16410 0.19054 Eigenvalues --- 0.21893 0.23027 0.23497 0.24611 0.24853 Eigenvalues --- 0.25062 0.26804 0.27635 0.28543 0.28796 Eigenvalues --- 0.30148 0.31508 0.33976 0.34770 0.34821 Eigenvalues --- 0.34829 0.34843 0.34873 0.34904 0.35609 Eigenvalues --- 0.35829 0.36437 0.38951 0.42143 0.42473 Eigenvalues --- 0.42806 0.43260 0.46601 0.48036 0.49442 Eigenvalues --- 0.56316 0.62181 0.88041 1.41097 RFO step: Lambda=-3.40144119D-04 EMin= 2.16621013D-03 Quartic linear search produced a step of 0.02546. Iteration 1 RMS(Cart)= 0.02560380 RMS(Int)= 0.00070239 Iteration 2 RMS(Cart)= 0.00072040 RMS(Int)= 0.00001950 Iteration 3 RMS(Cart)= 0.00000082 RMS(Int)= 0.00001949 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87337 -0.00010 0.00010 -0.00243 -0.00234 2.87104 R2 2.64265 0.00034 -0.00002 0.00073 0.00071 2.64336 R3 2.79371 0.00003 0.00008 0.00261 0.00269 2.79640 R4 2.02563 -0.00004 0.00005 0.00095 0.00100 2.02662 R5 2.05211 -0.00016 -0.00003 -0.00058 -0.00061 2.05150 R6 2.04636 0.00014 -0.00002 -0.00002 -0.00005 2.04632 R7 2.04053 0.00053 0.00002 0.00045 0.00047 2.04101 R8 1.79340 -0.00168 -0.00000 -0.00447 -0.00447 1.78893 R9 2.25585 -0.00011 -0.00004 -0.00066 -0.00071 2.25515 R10 2.62659 -0.00017 -0.00001 -0.00030 -0.00032 2.62627 R11 2.72947 0.00019 -0.00002 0.00074 0.00073 2.73020 R12 2.54425 -0.00046 0.00000 -0.00129 -0.00130 2.54295 R13 1.88758 -0.00016 0.00002 -0.00033 -0.00031 1.88727 R14 3.18100 -0.00014 -0.00002 -0.00144 -0.00146 3.17955 R15 2.58445 -0.00043 -0.00003 -0.00200 -0.00204 2.58241 R16 2.65629 -0.00061 0.00007 0.00073 0.00081 2.65710 R17 2.52519 -0.00006 0.00000 0.00003 0.00004 2.52523 R18 2.87165 -0.00040 0.00008 -0.00084 -0.00077 2.87089 R19 2.02460 -0.00017 -0.00001 -0.00013 -0.00015 2.02445 R20 2.02837 0.00024 -0.00022 -0.00069 -0.00091 2.02746 R21 2.04677 -0.00000 0.00007 0.00006 0.00013 2.04690 R22 2.90272 0.00001 -0.00008 0.00046 0.00038 2.90310 R23 2.05036 0.00002 0.00001 0.00004 0.00005 2.05041 R24 2.04750 -0.00001 -0.00002 -0.00010 -0.00012 2.04737 R25 2.04799 0.00046 0.00007 0.00094 0.00101 2.04900 A1 1.97794 -0.00004 -0.00005 -0.00401 -0.00410 1.97385 A2 1.99169 -0.00154 -0.00013 -0.00713 -0.00728 1.98441 A3 1.88509 0.00054 0.00005 0.00411 0.00417 1.88926 A4 1.86777 0.00078 -0.00031 0.00000 -0.00036 1.86742 A5 1.90953 -0.00011 0.00023 0.00484 0.00507 1.91460 A6 1.82483 0.00041 0.00026 0.00321 0.00348 1.82831 A7 1.89709 -0.00025 0.00001 -0.00151 -0.00149 1.89559 A8 1.91781 0.00011 -0.00006 -0.00231 -0.00237 1.91543 A9 1.97127 0.00002 0.00016 0.00175 0.00191 1.97318 A10 1.88246 0.00012 0.00002 0.00297 0.00299 1.88545 A11 1.88133 0.00022 -0.00002 0.00161 0.00159 1.88293 A12 1.91145 -0.00022 -0.00012 -0.00232 -0.00244 1.90901 A13 1.90416 0.00022 -0.00010 -0.00013 -0.00023 1.90393 A14 2.10213 -0.00009 -0.00005 -0.00051 -0.00061 2.10152 A15 2.22011 -0.00014 -0.00001 -0.00050 -0.00056 2.21955 A16 1.96019 0.00025 0.00004 0.00165 0.00167 1.96186 A17 2.23655 -0.00021 -0.00002 -0.00175 -0.00177 2.23479 A18 2.02659 0.00014 0.00004 0.00122 0.00126 2.02786 A19 2.01996 0.00007 -0.00002 0.00050 0.00047 2.02043 A20 2.06177 -0.00011 0.00008 0.00242 0.00250 2.06426 A21 2.03067 0.00003 -0.00003 0.00105 0.00102 2.03169 A22 2.19063 0.00007 -0.00002 -0.00349 -0.00352 2.18711 A23 2.04896 0.00108 -0.00014 -0.00240 -0.00257 2.04639 A24 2.12773 -0.00141 0.00017 0.00002 0.00016 2.12789 A25 2.09998 0.00034 0.00003 0.00123 0.00127 2.10125 A26 2.10901 -0.00002 -0.00005 -0.00135 -0.00144 2.10758 A27 2.11806 -0.00141 0.00005 -0.00313 -0.00318 2.11488 A28 2.05490 0.00141 0.00004 0.00339 0.00332 2.05822 A29 2.12264 -0.00035 -0.00002 -0.00071 -0.00070 2.12194 A30 2.05100 -0.00000 -0.00002 -0.00115 -0.00121 2.04980 A31 2.10867 0.00035 0.00005 0.00143 0.00144 2.11012 A32 1.95467 0.00016 -0.00008 -0.00168 -0.00179 1.95288 A33 1.86238 -0.00017 0.00040 0.00294 0.00333 1.86571 A34 1.95151 -0.00021 0.00001 -0.00285 -0.00285 1.94866 A35 1.85383 -0.00000 -0.00020 0.00145 0.00126 1.85510 A36 1.93887 -0.00039 -0.00042 -0.00393 -0.00436 1.93451 A37 1.89737 0.00067 0.00035 0.00488 0.00524 1.90260 A38 1.91427 0.00019 -0.00005 0.00070 0.00065 1.91491 A39 1.93820 0.00032 0.00009 -0.00018 -0.00009 1.93812 A40 1.95881 -0.00072 -0.00012 -0.00212 -0.00225 1.95657 A41 1.88654 -0.00013 0.00001 0.00074 0.00076 1.88730 A42 1.88445 0.00016 0.00000 0.00040 0.00040 1.88484 A43 1.87926 0.00018 0.00007 0.00058 0.00064 1.87991 D1 1.13167 0.00005 0.00081 -0.04973 -0.04893 1.08275 D2 -3.09525 0.00011 0.00081 -0.04835 -0.04756 3.14038 D3 -0.95530 -0.00007 0.00072 -0.05182 -0.05111 -1.00642 D4 -3.00766 -0.00015 0.00024 -0.05870 -0.05845 -3.06611 D5 -0.95140 -0.00009 0.00023 -0.05732 -0.05708 -1.00848 D6 1.18855 -0.00027 0.00015 -0.06079 -0.06063 1.12791 D7 -0.98678 -0.00018 0.00052 -0.05615 -0.05563 -1.04242 D8 1.06948 -0.00011 0.00051 -0.05477 -0.05426 1.01522 D9 -3.07376 -0.00030 0.00043 -0.05825 -0.05782 -3.13158 D10 -1.35681 -0.00124 -0.00066 -0.08644 -0.08710 -1.44391 D11 2.71546 0.00018 -0.00021 -0.07438 -0.07459 2.64087 D12 0.74787 -0.00065 -0.00047 -0.08044 -0.08091 0.66696 D13 1.86438 -0.00003 0.00046 -0.01354 -0.01309 1.85129 D14 -1.39932 0.00016 0.00097 -0.02423 -0.02326 -1.42258 D15 -2.21607 -0.00055 0.00004 -0.02381 -0.02377 -2.23984 D16 0.80342 -0.00037 0.00056 -0.03450 -0.03394 0.76948 D17 -0.19137 -0.00014 0.00030 -0.01683 -0.01653 -0.20790 D18 2.82812 0.00005 0.00081 -0.02751 -0.02670 2.80142 D19 -3.10382 0.00031 -0.00025 0.01540 0.01516 -3.08866 D20 0.02401 0.00034 -0.00039 0.01243 0.01204 0.03605 D21 0.07654 -0.00017 0.00029 -0.00132 -0.00103 0.07551 D22 -3.07882 -0.00014 0.00015 -0.00429 -0.00415 -3.08297 D23 -3.13682 -0.00038 0.00024 -0.01517 -0.01493 3.13144 D24 -0.03960 -0.00052 0.00040 -0.02607 -0.02566 -0.06527 D25 -0.03718 0.00014 -0.00034 0.00294 0.00260 -0.03458 D26 3.06003 0.00000 -0.00018 -0.00796 -0.00814 3.05190 D27 -3.13937 0.00029 -0.00056 -0.00025 -0.00081 -3.14018 D28 -0.01381 -0.00003 0.00019 -0.00092 -0.00072 -0.01453 D29 0.01595 0.00025 -0.00042 0.00271 0.00229 0.01824 D30 3.14151 -0.00007 0.00033 0.00204 0.00238 -3.13930 D31 2.93119 0.00030 -0.00012 -0.00893 -0.00907 2.92213 D32 -0.09033 0.00025 -0.00064 0.00166 0.00102 -0.08932 D33 -0.22777 -0.00004 0.00070 -0.00959 -0.00890 -0.23668 D34 3.03389 -0.00010 0.00018 0.00100 0.00118 3.03506 D35 -2.88885 -0.00051 0.00008 0.01111 0.01121 -2.87764 D36 0.30684 -0.00008 -0.00049 0.03529 0.03477 0.34161 D37 0.12713 -0.00027 0.00059 -0.00014 0.00046 0.12760 D38 -2.96036 0.00016 0.00003 0.02404 0.02403 -2.93633 D39 -0.05797 0.00007 -0.00007 -0.00231 -0.00238 -0.06035 D40 3.12946 0.00023 -0.00023 0.00901 0.00879 3.13825 D41 3.03143 -0.00042 0.00048 -0.02583 -0.02538 3.00605 D42 -0.06433 -0.00027 0.00032 -0.01451 -0.01421 -0.07854 D43 -0.44855 -0.00021 -0.00086 -0.01429 -0.01515 -0.46371 D44 -2.47016 -0.00019 -0.00081 -0.01689 -0.01770 -2.48786 D45 1.74055 -0.00077 -0.00148 -0.02305 -0.02453 1.71602 D46 2.74552 0.00025 -0.00140 0.00930 0.00790 2.75342 D47 0.72391 0.00027 -0.00135 0.00670 0.00535 0.72926 D48 -1.34856 -0.00032 -0.00202 0.00054 -0.00148 -1.35004 D49 -3.12065 0.00020 0.00013 0.01348 0.01360 -3.10705 D50 1.07847 0.00003 0.00009 0.01222 0.01230 1.09078 D51 -1.02606 0.00007 0.00002 0.01307 0.01308 -1.01297 D52 -0.92286 -0.00005 -0.00030 0.00603 0.00573 -0.91712 D53 -3.00692 -0.00022 -0.00035 0.00477 0.00443 -3.00248 D54 1.17174 -0.00018 -0.00041 0.00562 0.00521 1.17695 D55 1.11095 0.00012 -0.00057 0.00848 0.00790 1.11885 D56 -0.97311 -0.00005 -0.00062 0.00722 0.00660 -0.96651 D57 -3.07764 -0.00001 -0.00068 0.00807 0.00738 -3.07026 Item Value Threshold Converged? Maximum Force 0.001682 0.000450 NO RMS Force 0.000428 0.000300 NO Maximum Displacement 0.109371 0.001800 NO RMS Displacement 0.025612 0.001200 NO Predicted change in Energy=-1.797749D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.001790 -4.970293 2.084672 2 6 0 7.167022 -5.193049 3.578430 3 8 0 6.954166 -6.162247 1.354168 4 8 0 2.821514 -2.180422 -0.041332 5 6 0 3.651848 -2.828202 0.519974 6 7 0 4.910986 -2.294955 0.768298 7 6 0 5.971438 -2.900772 1.333328 8 16 0 7.389802 -2.014968 1.519191 9 7 0 5.791691 -4.196381 1.729006 10 6 0 4.524005 -4.798090 1.639737 11 6 0 3.510484 -4.170111 1.036326 12 1 0 7.821055 -4.368918 1.742199 13 1 0 8.112511 -5.697862 3.750919 14 1 0 7.198496 -4.238815 4.089353 15 1 0 5.053580 -1.349174 0.480945 16 6 0 4.237331 -6.131165 2.309603 17 1 0 2.544492 -4.627652 0.964308 18 1 0 6.383341 -5.802004 4.004497 19 1 0 7.837487 -6.462709 1.194082 20 1 0 5.125623 -6.722649 2.419902 21 1 0 3.584955 -6.683829 1.644599 22 6 0 3.532654 -5.945927 3.662078 23 1 0 3.374701 -6.913002 4.128025 24 1 0 2.567231 -5.470692 3.535920 25 1 0 4.113796 -5.336114 4.344773 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519288 0.000000 3 O 1.398806 2.435569 0.000000 4 O 5.456921 6.407966 5.906027 0.000000 5 C 4.273049 5.225237 4.766239 1.193373 0.000000 6 N 3.641667 4.624444 4.412910 2.243772 1.389764 7 C 2.430856 3.424096 3.406377 3.511498 2.459128 8 S 3.033853 3.793454 4.173360 4.830307 3.953743 9 N 1.479790 2.511026 2.314407 4.002517 2.812935 10 C 2.523300 3.301524 2.801456 3.546358 2.427959 11 C 3.732096 4.569351 3.991062 2.365352 1.444757 12 H 1.072443 2.116293 2.029309 5.741594 4.609764 13 H 2.130595 1.085606 2.702191 7.399203 6.210593 14 H 2.143011 1.082864 3.352689 6.360622 5.225802 15 H 4.413612 5.369956 5.247896 2.438414 2.038112 16 C 3.006734 3.327622 2.880106 4.810385 3.801990 17 H 4.608701 5.340514 4.685317 2.660261 2.159095 18 H 2.181731 1.080054 2.734934 6.493936 5.333521 19 H 1.928431 2.783285 0.946658 6.710009 5.584231 20 H 2.589041 2.801638 2.189386 5.656715 4.576949 21 H 3.847679 4.335128 3.421692 4.868869 4.016854 22 C 3.933825 3.712473 4.132795 5.329165 4.428006 23 H 4.594039 4.200237 4.590260 6.331419 5.457145 24 H 4.692743 4.608358 4.948079 4.866957 4.153923 25 H 3.685430 3.151180 4.206414 5.555745 4.596967 6 7 8 9 10 6 N 0.000000 7 C 1.345672 0.000000 8 S 2.605142 1.682543 0.000000 9 N 2.305217 1.366555 2.712295 0.000000 10 C 2.678590 2.405985 3.996635 1.406077 0.000000 11 C 2.355728 2.784911 4.463957 2.384199 1.336297 12 H 3.703823 2.396604 2.403495 2.036727 3.326443 13 H 5.543065 4.272312 4.366534 3.424731 4.259584 14 H 4.476684 3.300258 3.404089 2.748115 3.669647 15 H 0.998703 1.994111 2.641812 3.195161 3.676721 16 C 4.188787 3.794164 5.244607 2.548827 1.519207 17 H 3.328692 3.855159 5.532725 3.363787 2.098506 18 H 4.994017 3.965092 4.640189 2.847092 3.171287 19 H 5.110370 4.023546 4.482021 3.099624 3.734800 20 H 4.730575 4.062363 5.300948 2.702409 2.162066 21 H 4.667813 4.483716 6.024189 3.326290 2.106621 22 C 4.858329 4.543536 5.909484 3.449773 2.527879 23 H 5.913907 5.536368 6.849656 4.356279 3.461984 24 H 4.820604 4.800471 6.266292 3.909725 2.806576 25 H 4.761862 4.295407 5.454002 3.310070 2.788362 11 12 13 14 15 11 C 0.000000 12 H 4.372506 0.000000 13 H 5.557131 2.426107 0.000000 14 H 4.788228 2.431797 1.754645 0.000000 15 H 3.263017 4.285853 6.241865 5.096205 0.000000 16 C 2.448525 4.033675 4.157182 3.939162 5.184370 17 H 1.071294 5.339866 6.317705 5.619329 4.156631 18 H 4.441444 3.039531 1.750765 1.765004 5.831928 19 H 4.899373 2.164408 2.682917 3.706293 5.865744 20 H 3.322410 3.642072 3.426850 3.640508 5.713054 21 H 2.587338 4.828341 5.089939 5.001259 5.654158 22 C 3.169951 4.956135 4.587431 4.066350 5.793356 23 H 4.135274 5.651070 4.905673 4.666282 6.861197 24 H 2.971398 5.659859 5.554094 4.824150 5.701028 25 H 3.559406 4.631698 4.058725 3.284004 5.630991 16 17 18 19 20 16 C 0.000000 17 H 2.633643 0.000000 18 H 2.754336 5.035734 0.000000 19 H 3.783574 5.606784 3.232569 0.000000 20 H 1.072885 3.629050 2.222697 2.987375 0.000000 21 H 1.083173 2.402754 3.765328 4.282043 1.725184 22 C 1.536253 3.161056 2.874784 4.988954 2.164220 23 H 2.159180 3.990135 3.209593 5.359781 2.453497 24 H 2.174698 2.706368 3.859018 5.851829 3.059128 25 H 2.188443 3.793703 2.341725 5.006191 2.579031 21 22 23 24 25 21 H 0.000000 22 C 2.148827 0.000000 23 H 2.502825 1.085030 0.000000 24 H 2.466691 1.083423 1.755806 0.000000 25 H 3.063813 1.084284 1.754941 1.750490 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.418386 1.172092 -0.387511 2 6 0 2.390029 1.254773 0.777526 3 8 0 2.011026 0.701231 -1.563830 4 8 0 -3.181801 -1.756951 -0.195238 5 6 0 -2.123074 -1.207690 -0.155898 6 7 0 -2.048433 0.159905 0.079805 7 6 0 -0.951585 0.939221 0.100413 8 16 0 -1.145817 2.580444 0.416026 9 7 0 0.242812 0.313500 -0.121761 10 6 0 0.300012 -1.085606 -0.249372 11 6 0 -0.819512 -1.813367 -0.301519 12 1 0 1.010406 2.149737 -0.554531 13 1 0 3.175130 1.960536 0.524436 14 1 0 1.876943 1.625150 1.656251 15 1 0 -2.916112 0.627323 0.241237 16 6 0 1.627991 -1.823265 -0.231458 17 1 0 -0.778691 -2.879177 -0.401783 18 1 0 2.856468 0.308111 1.007269 19 1 0 2.446213 1.419750 -2.000298 20 1 0 2.435253 -1.202025 -0.568310 21 1 0 1.548325 -2.632462 -0.947082 22 6 0 1.931828 -2.409875 1.155497 23 1 0 2.900595 -2.898344 1.142130 24 1 0 1.187629 -3.144542 1.438758 25 1 0 1.952003 -1.646922 1.925670 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7898871 0.7007207 0.4280926 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.2959816782 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999936 0.002314 0.000507 0.011100 Ang= 1.30 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.078564012 A.U. after 13 cycles NFock= 13 Conv=0.37D-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 -0.001383663 -0.001407114 -0.000196233 2 6 0.000458522 0.000188940 0.000207025 3 8 0.000231082 -0.000253983 0.001465703 4 8 -0.000751822 0.000486935 0.000203038 5 6 0.001101617 -0.000699339 -0.001356360 6 7 -0.000219074 0.000458080 0.000566586 7 6 -0.000381145 -0.000763021 -0.000083920 8 16 0.000214965 0.000842689 -0.000021202 9 7 0.000249249 0.001548037 -0.000258748 10 6 -0.000250215 -0.000118077 0.000095989 11 6 -0.000032368 0.000074210 0.000587372 12 1 -0.000191042 -0.000691554 -0.000059178 13 1 0.000020572 0.000051719 0.000096535 14 1 -0.000152419 0.000076743 0.000251472 15 1 -0.000094224 0.000008989 -0.000006090 16 6 0.000460767 0.000297486 -0.000069553 17 1 0.000038829 0.000088561 0.000109735 18 1 -0.000186877 -0.000001174 -0.000145864 19 1 0.000690387 0.000022469 -0.001238384 20 1 0.000441129 -0.000501619 0.000063379 21 1 0.000016769 0.000211158 -0.000099541 22 6 -0.000337092 -0.000002056 -0.000245336 23 1 -0.000029767 0.000049720 0.000039083 24 1 -0.000062539 0.000037806 0.000251460 25 1 0.000148355 -0.000005603 -0.000156967 ------------------------------------------------------------------- Cartesian Forces: Max 0.001548037 RMS 0.000512924 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001774352 RMS 0.000364812 Search for a local minimum. Step number 11 out of a maximum of 135 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 DE= -2.12D-04 DEPred=-1.80D-04 R= 1.18D+00 TightC=F SS= 1.41D+00 RLast= 2.38D-01 DXNew= 2.3673D+00 7.1501D-01 Trust test= 1.18D+00 RLast= 2.38D-01 DXMaxT set to 1.41D+00 ITU= 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00163 0.00234 0.00499 0.00669 0.01172 Eigenvalues --- 0.01580 0.01816 0.01930 0.01972 0.02092 Eigenvalues --- 0.02304 0.02417 0.03816 0.04098 0.04654 Eigenvalues --- 0.05337 0.05343 0.05434 0.05564 0.05809 Eigenvalues --- 0.06199 0.07472 0.08897 0.09262 0.12946 Eigenvalues --- 0.15164 0.15810 0.15985 0.15999 0.16001 Eigenvalues --- 0.16044 0.16065 0.16251 0.16624 0.19347 Eigenvalues --- 0.21896 0.22925 0.23588 0.24570 0.24816 Eigenvalues --- 0.25170 0.26571 0.27294 0.28426 0.28815 Eigenvalues --- 0.30229 0.31719 0.34071 0.34774 0.34809 Eigenvalues --- 0.34828 0.34842 0.34870 0.34911 0.35607 Eigenvalues --- 0.35824 0.37602 0.40255 0.42400 0.42747 Eigenvalues --- 0.42982 0.43870 0.46458 0.48391 0.50763 Eigenvalues --- 0.56314 0.63483 0.88173 1.40211 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 RFO step: Lambda=-3.30590572D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.36981 -1.36981 Iteration 1 RMS(Cart)= 0.03868735 RMS(Int)= 0.00200082 Iteration 2 RMS(Cart)= 0.00204171 RMS(Int)= 0.00005247 Iteration 3 RMS(Cart)= 0.00000972 RMS(Int)= 0.00005206 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005206 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87104 0.00037 -0.00320 0.00172 -0.00148 2.86955 R2 2.64336 0.00005 0.00097 -0.00036 0.00060 2.64397 R3 2.79640 0.00073 0.00368 0.00297 0.00665 2.80305 R4 2.02662 -0.00051 0.00137 -0.00095 0.00042 2.02704 R5 2.05150 0.00001 -0.00084 0.00002 -0.00082 2.05068 R6 2.04632 0.00018 -0.00006 0.00035 0.00029 2.04660 R7 2.04101 0.00008 0.00065 0.00009 0.00074 2.04175 R8 1.78893 0.00085 -0.00613 0.00501 -0.00112 1.78781 R9 2.25515 0.00069 -0.00097 0.00118 0.00021 2.25536 R10 2.62627 -0.00009 -0.00044 0.00037 -0.00007 2.62620 R11 2.73020 0.00003 0.00100 0.00018 0.00121 2.73140 R12 2.54295 0.00029 -0.00179 0.00199 0.00018 2.54313 R13 1.88727 -0.00000 -0.00042 0.00057 0.00015 1.88743 R14 3.17955 0.00062 -0.00199 0.00298 0.00099 3.18053 R15 2.58241 0.00051 -0.00279 0.00078 -0.00203 2.58038 R16 2.65710 -0.00044 0.00110 -0.00125 -0.00015 2.65695 R17 2.52523 -0.00018 0.00006 -0.00049 -0.00041 2.52483 R18 2.87089 -0.00029 -0.00105 -0.00036 -0.00142 2.86947 R19 2.02445 -0.00008 -0.00020 -0.00046 -0.00066 2.02379 R20 2.02746 0.00065 -0.00125 0.00097 -0.00028 2.02718 R21 2.04690 -0.00006 0.00018 0.00039 0.00057 2.04747 R22 2.90310 0.00004 0.00052 -0.00060 -0.00008 2.90302 R23 2.05041 -0.00002 0.00007 0.00001 0.00009 2.05050 R24 2.04737 0.00004 -0.00017 0.00012 -0.00005 2.04733 R25 2.04900 -0.00002 0.00138 0.00000 0.00138 2.05038 A1 1.97385 -0.00008 -0.00561 0.00274 -0.00289 1.97095 A2 1.98441 -0.00041 -0.00997 0.00227 -0.00772 1.97670 A3 1.88926 0.00024 0.00571 -0.00226 0.00347 1.89273 A4 1.86742 0.00074 -0.00049 0.00726 0.00669 1.87410 A5 1.91460 -0.00038 0.00695 -0.00692 0.00003 1.91463 A6 1.82831 -0.00014 0.00477 -0.00401 0.00078 1.82909 A7 1.89559 0.00019 -0.00205 0.00239 0.00034 1.89593 A8 1.91543 0.00027 -0.00325 0.00088 -0.00238 1.91305 A9 1.97318 -0.00041 0.00262 -0.00253 0.00009 1.97327 A10 1.88545 -0.00010 0.00409 0.00054 0.00463 1.89008 A11 1.88293 0.00010 0.00218 0.00014 0.00232 1.88524 A12 1.90901 -0.00004 -0.00334 -0.00127 -0.00462 1.90439 A13 1.90393 0.00062 -0.00032 0.00383 0.00352 1.90744 A14 2.10152 0.00021 -0.00084 0.00065 -0.00045 2.10107 A15 2.21955 -0.00009 -0.00077 -0.00038 -0.00141 2.21814 A16 1.96186 -0.00014 0.00229 -0.00151 0.00058 1.96244 A17 2.23479 0.00004 -0.00242 -0.00008 -0.00253 2.23225 A18 2.02786 -0.00010 0.00173 -0.00054 0.00118 2.02904 A19 2.02043 0.00007 0.00064 0.00053 0.00116 2.02159 A20 2.06426 -0.00089 0.00342 -0.00164 0.00179 2.06606 A21 2.03169 -0.00007 0.00140 -0.00116 0.00018 2.03187 A22 2.18711 0.00096 -0.00482 0.00293 -0.00188 2.18523 A23 2.04639 0.00177 -0.00353 0.00630 0.00275 2.04914 A24 2.12789 -0.00157 0.00022 -0.00431 -0.00410 2.12379 A25 2.10125 -0.00019 0.00173 -0.00091 0.00079 2.10203 A26 2.10758 0.00025 -0.00197 0.00038 -0.00171 2.10587 A27 2.11488 -0.00047 -0.00436 -0.00034 -0.00487 2.11002 A28 2.05822 0.00022 0.00455 0.00078 0.00514 2.06336 A29 2.12194 0.00010 -0.00096 0.00017 -0.00078 2.12116 A30 2.04980 -0.00005 -0.00166 0.00036 -0.00136 2.04843 A31 2.11012 -0.00004 0.00197 -0.00025 0.00167 2.11178 A32 1.95288 0.00025 -0.00246 0.00453 0.00200 1.95488 A33 1.86571 -0.00015 0.00457 -0.00095 0.00362 1.86933 A34 1.94866 -0.00024 -0.00391 -0.00143 -0.00537 1.94329 A35 1.85510 -0.00003 0.00173 -0.00187 -0.00012 1.85497 A36 1.93451 0.00001 -0.00598 0.00001 -0.00600 1.92851 A37 1.90260 0.00018 0.00717 -0.00047 0.00673 1.90933 A38 1.91491 0.00009 0.00088 -0.00013 0.00075 1.91566 A39 1.93812 0.00043 -0.00012 0.00344 0.00332 1.94144 A40 1.95657 -0.00041 -0.00308 -0.00261 -0.00569 1.95088 A41 1.88730 -0.00017 0.00104 -0.00017 0.00086 1.88815 A42 1.88484 0.00008 0.00055 -0.00042 0.00013 1.88497 A43 1.87991 -0.00003 0.00088 -0.00014 0.00074 1.88065 D1 1.08275 -0.00034 -0.06702 0.00764 -0.05940 1.02335 D2 3.14038 -0.00019 -0.06514 0.01018 -0.05498 3.08540 D3 -1.00642 -0.00033 -0.07001 0.00743 -0.06260 -1.06902 D4 -3.06611 0.00028 -0.08006 0.02133 -0.05871 -3.12482 D5 -1.00848 0.00042 -0.07819 0.02387 -0.05429 -1.06277 D6 1.12791 0.00028 -0.08306 0.02112 -0.06191 1.06600 D7 -1.04242 0.00002 -0.07621 0.01622 -0.05999 -1.10241 D8 1.01522 0.00016 -0.07433 0.01876 -0.05557 0.95964 D9 -3.13158 0.00002 -0.07920 0.01601 -0.06320 3.08841 D10 -1.44391 -0.00062 -0.11931 -0.04418 -0.16350 -1.60741 D11 2.64087 -0.00059 -0.10217 -0.05442 -0.15658 2.48429 D12 0.66696 -0.00062 -0.11083 -0.05016 -0.16099 0.50597 D13 1.85129 -0.00024 -0.01794 -0.01215 -0.03009 1.82120 D14 -1.42258 -0.00014 -0.03187 -0.00294 -0.03480 -1.45738 D15 -2.23984 -0.00006 -0.03256 -0.00154 -0.03410 -2.27394 D16 0.76948 0.00004 -0.04649 0.00768 -0.03881 0.73067 D17 -0.20790 -0.00023 -0.02264 -0.00806 -0.03070 -0.23860 D18 2.80142 -0.00013 -0.03657 0.00116 -0.03541 2.76601 D19 -3.08866 -0.00022 0.02076 -0.02565 -0.00490 -3.09356 D20 0.03605 -0.00029 0.01649 -0.03218 -0.01570 0.02035 D21 0.07551 0.00032 -0.00141 0.02941 0.02800 0.10351 D22 -3.08297 0.00026 -0.00568 0.02288 0.01720 -3.06577 D23 3.13144 0.00028 -0.02045 0.03261 0.01214 -3.13960 D24 -0.06527 0.00031 -0.03515 0.03834 0.00318 -0.06209 D25 -0.03458 -0.00031 0.00356 -0.02697 -0.02343 -0.05801 D26 3.05190 -0.00028 -0.01115 -0.02124 -0.03239 3.01950 D27 -3.14018 -0.00001 -0.00111 -0.01585 -0.01698 3.12603 D28 -0.01453 -0.00018 -0.00099 -0.00824 -0.00923 -0.02376 D29 0.01824 0.00005 0.00314 -0.00934 -0.00622 0.01202 D30 -3.13930 -0.00012 0.00326 -0.00173 0.00153 -3.13777 D31 2.92213 -0.00002 -0.01242 -0.00825 -0.02070 2.90142 D32 -0.08932 -0.00000 0.00139 -0.01703 -0.01566 -0.10498 D33 -0.23668 -0.00022 -0.01219 -0.00009 -0.01231 -0.24899 D34 3.03506 -0.00020 0.00162 -0.00887 -0.00727 3.02779 D35 -2.87764 -0.00023 0.01536 0.00811 0.02350 -2.85414 D36 0.34161 -0.00027 0.04763 -0.00464 0.04290 0.38451 D37 0.12760 0.00002 0.00064 0.01813 0.01878 0.14638 D38 -2.93633 -0.00003 0.03291 0.00538 0.03818 -2.89815 D39 -0.06035 0.00014 -0.00326 0.00569 0.00243 -0.05791 D40 3.13825 0.00011 0.01205 -0.00026 0.01182 -3.13312 D41 3.00605 0.00015 -0.03477 0.01799 -0.01688 2.98917 D42 -0.07854 0.00012 -0.01947 0.01204 -0.00749 -0.08604 D43 -0.46371 -0.00002 -0.02076 -0.01035 -0.03112 -0.49483 D44 -2.48786 -0.00002 -0.02425 -0.00995 -0.03421 -2.52208 D45 1.71602 -0.00000 -0.03360 -0.00798 -0.04159 1.67443 D46 2.75342 -0.00006 0.01082 -0.02274 -0.01191 2.74151 D47 0.72926 -0.00007 0.00733 -0.02234 -0.01500 0.71426 D48 -1.35004 -0.00005 -0.00203 -0.02036 -0.02238 -1.37241 D49 -3.10705 -0.00006 0.01863 -0.00775 0.01087 -3.09618 D50 1.09078 -0.00019 0.01685 -0.00962 0.00721 1.09799 D51 -1.01297 -0.00017 0.01792 -0.01005 0.00786 -1.00512 D52 -0.91712 0.00009 0.00785 -0.00287 0.00500 -0.91212 D53 -3.00248 -0.00003 0.00607 -0.00474 0.00135 -3.00113 D54 1.17695 -0.00001 0.00714 -0.00517 0.00199 1.17895 D55 1.11885 0.00016 0.01083 -0.00543 0.00540 1.12425 D56 -0.96651 0.00004 0.00904 -0.00729 0.00174 -0.96477 D57 -3.07026 0.00006 0.01012 -0.00773 0.00239 -3.06787 Item Value Threshold Converged? Maximum Force 0.001774 0.000450 NO RMS Force 0.000365 0.000300 NO Maximum Displacement 0.203185 0.001800 NO RMS Displacement 0.038747 0.001200 NO Predicted change in Energy=-1.840476D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.998669 -4.981106 2.088229 2 6 0 7.166688 -5.191266 3.582704 3 8 0 6.946208 -6.181567 1.371504 4 8 0 2.836550 -2.199328 -0.075049 5 6 0 3.663880 -2.847187 0.490824 6 7 0 4.905033 -2.297260 0.788249 7 6 0 5.958228 -2.899932 1.370193 8 16 0 7.365785 -2.005862 1.598524 9 7 0 5.784960 -4.203201 1.738978 10 6 0 4.523729 -4.814052 1.625006 11 6 0 3.518493 -4.190690 1.003689 12 1 0 7.817369 -4.384685 1.735206 13 1 0 8.080927 -5.750361 3.753514 14 1 0 7.257647 -4.231790 4.076722 15 1 0 5.042500 -1.345326 0.519008 16 6 0 4.233826 -6.137869 2.309971 17 1 0 2.553513 -4.647651 0.920495 18 1 0 6.350223 -5.741993 4.027057 19 1 0 7.817952 -6.413764 1.086561 20 1 0 5.118841 -6.732999 2.425446 21 1 0 3.574799 -6.697119 1.656643 22 6 0 3.547013 -5.926239 3.667705 23 1 0 3.393554 -6.883829 4.154391 24 1 0 2.581767 -5.448781 3.549022 25 1 0 4.143844 -5.306144 4.328408 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518503 0.000000 3 O 1.399126 2.432840 0.000000 4 O 5.453558 6.409441 5.902544 0.000000 5 C 4.269208 5.227245 4.761026 1.193485 0.000000 6 N 3.643664 4.615119 4.426558 2.243546 1.389728 7 C 2.435031 3.406727 3.427132 3.510618 2.457663 8 S 3.037542 3.758112 4.202867 4.832415 3.954608 9 N 1.483308 2.506944 2.323245 3.999915 2.809919 10 C 2.523452 3.310604 2.793343 3.545919 2.427811 11 C 3.729961 4.578405 3.980968 2.365215 1.445396 12 H 1.072666 2.118302 2.029774 5.732483 4.600420 13 H 2.129837 1.085171 2.673481 7.400758 6.211592 14 H 2.140712 1.083015 3.349153 6.396421 5.262220 15 H 4.416780 5.356273 5.266885 2.438942 2.038866 16 C 3.005267 3.334303 2.870478 4.811736 3.802989 17 H 4.608059 5.353900 4.674620 2.658101 2.158518 18 H 2.181395 1.080446 2.756879 6.459384 5.301064 19 H 1.930563 2.854711 0.946068 6.627607 5.507422 20 H 2.591640 2.812448 2.180399 5.658224 4.578123 21 H 3.854070 4.344993 3.422499 4.875848 4.023562 22 C 3.911771 3.694517 4.110019 5.329430 4.425697 23 H 4.570146 4.174702 4.567164 6.335847 5.457956 24 H 4.675646 4.592270 4.932231 4.874192 4.158346 25 H 3.643361 3.115582 4.166880 5.545426 4.583000 6 7 8 9 10 6 N 0.000000 7 C 1.345768 0.000000 8 S 2.607058 1.683066 0.000000 9 N 2.304510 1.365479 2.710541 0.000000 10 C 2.679514 2.405529 3.995486 1.405998 0.000000 11 C 2.356689 2.784364 4.464185 2.382788 1.336082 12 H 3.706180 2.407100 2.425162 2.040499 3.323336 13 H 5.550045 4.279137 4.379119 3.423963 4.249809 14 H 4.482327 3.284454 3.332854 2.763091 3.718097 15 H 0.998783 1.994962 2.645622 3.194843 3.677555 16 C 4.185263 3.786948 5.233431 2.544600 1.518457 17 H 3.327382 3.853418 5.531431 3.362989 2.098994 18 H 4.944151 3.910229 4.570318 2.814730 3.157056 19 H 5.051702 3.985729 4.460512 3.073320 3.701473 20 H 4.733065 4.063315 5.298903 2.704595 2.162688 21 H 4.677862 4.492373 6.031819 3.333350 2.108890 22 C 4.827522 4.500117 5.850973 3.420125 2.522609 23 H 5.886603 5.495520 6.790113 4.328835 3.458188 24 H 4.790774 4.758615 6.208458 3.884350 2.806410 25 H 4.708027 4.222899 5.359573 3.258050 2.773959 11 12 13 14 15 11 C 0.000000 12 H 4.364984 0.000000 13 H 5.550668 2.451142 0.000000 14 H 4.840092 2.412335 1.757358 0.000000 15 H 3.263987 4.291473 6.252871 5.088800 0.000000 16 C 2.451444 4.030606 4.127246 3.987234 5.179765 17 H 1.070944 5.333018 6.308270 5.680104 4.154708 18 H 4.423346 3.040950 1.752208 1.762554 5.774706 19 H 4.840895 2.130235 2.760778 3.743797 5.806403 20 H 3.323528 3.643221 3.391651 3.682017 5.715536 21 H 2.590696 4.832486 5.059487 5.049555 5.664808 22 C 3.179611 4.934255 4.538135 4.099665 5.756348 23 H 4.146750 5.627461 4.839103 4.687276 6.827155 24 H 2.989811 5.642141 5.511218 4.860390 5.663439 25 H 3.562171 4.590050 4.003555 3.303536 5.568410 16 17 18 19 20 16 C 0.000000 17 H 2.640993 0.000000 18 H 2.753949 5.026262 0.000000 19 H 3.797210 5.555272 3.354403 0.000000 20 H 1.072738 3.632418 2.250234 3.029805 0.000000 21 H 1.083474 2.405257 3.772811 4.290644 1.725228 22 C 1.536209 3.188886 2.832148 5.014070 2.159794 23 H 2.159722 4.020478 3.172049 5.404428 2.447165 24 H 2.177013 2.748047 3.809954 5.866220 3.057513 25 H 2.184936 3.817936 2.269115 5.023490 2.570564 21 22 23 24 25 21 H 0.000000 22 C 2.153926 0.000000 23 H 2.511266 1.085077 0.000000 24 H 2.474987 1.083398 1.756368 0.000000 25 H 3.065445 1.085013 1.755650 1.751534 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.455310 1.117081 -0.420276 2 6 0 2.420596 1.201408 0.748897 3 8 0 2.044896 0.596486 -1.577394 4 8 0 -3.238317 -1.651748 -0.208772 5 6 0 -2.161923 -1.137256 -0.175903 6 7 0 -2.040386 0.222265 0.085389 7 6 0 -0.916733 0.962529 0.107836 8 16 0 -1.049677 2.608666 0.432294 9 7 0 0.252837 0.298846 -0.129153 10 6 0 0.264343 -1.101481 -0.254782 11 6 0 -0.879374 -1.789814 -0.311565 12 1 0 1.075979 2.100593 -0.618830 13 1 0 3.259106 1.827506 0.461669 14 1 0 1.926693 1.662071 1.595520 15 1 0 -2.890954 0.717083 0.256432 16 6 0 1.568083 -1.878221 -0.203305 17 1 0 -0.876928 -2.857141 -0.399479 18 1 0 2.809308 0.238414 1.047075 19 1 0 2.381282 1.307128 -2.103585 20 1 0 2.398285 -1.293477 -0.549145 21 1 0 1.472271 -2.707769 -0.893656 22 6 0 1.841674 -2.418403 1.208534 23 1 0 2.799191 -2.928514 1.226960 24 1 0 1.077387 -3.122847 1.514109 25 1 0 1.871571 -1.622435 1.945280 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7926592 0.6989949 0.4306634 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.8477600206 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999860 0.004445 0.000265 0.016105 Ang= 1.91 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.078759730 A.U. after 13 cycles NFock= 13 Conv=0.72D-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 -0.002120585 -0.001487866 -0.000123572 2 6 0.000627027 0.000061622 0.000506842 3 8 -0.000070681 0.000373424 0.002307548 4 8 -0.000006590 -0.000308039 -0.001482291 5 6 -0.000936996 0.001339873 0.002971141 6 7 0.000257605 -0.000052355 -0.000358378 7 6 0.000507055 -0.001053331 -0.001120455 8 16 -0.000091185 0.000394514 0.000182957 9 7 0.000981607 0.001376751 -0.000934051 10 6 -0.000379420 0.000501759 0.000854211 11 6 0.000640890 -0.000624548 -0.000743121 12 1 -0.000136407 -0.000452759 0.000120130 13 1 0.000118278 0.000193528 0.000185542 14 1 -0.000192700 -0.000027686 0.000126959 15 1 -0.000132338 -0.000069433 0.000006756 16 6 0.000233363 0.000237647 -0.000143560 17 1 -0.000119014 -0.000252743 -0.000120502 18 1 0.000525309 -0.000322753 -0.000638456 19 1 0.000702006 0.000284260 -0.001571020 20 1 0.000874130 -0.000567709 -0.000255558 21 1 -0.000195645 0.000529987 0.000277338 22 6 -0.000207111 0.000109304 0.000097533 23 1 -0.000074254 0.000101722 0.000036174 24 1 -0.000049634 0.000064138 0.000053228 25 1 -0.000754708 -0.000349308 -0.000235393 ------------------------------------------------------------------- Cartesian Forces: Max 0.002971141 RMS 0.000754616 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001639718 RMS 0.000449642 Search for a local minimum. Step number 12 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 10 11 12 DE= -1.96D-04 DEPred=-1.84D-04 R= 1.06D+00 TightC=F SS= 1.41D+00 RLast= 3.61D-01 DXNew= 2.3673D+00 1.0824D+00 Trust test= 1.06D+00 RLast= 3.61D-01 DXMaxT set to 1.41D+00 ITU= 1 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00079 0.00231 0.00467 0.00574 0.01381 Eigenvalues --- 0.01606 0.01833 0.01930 0.02044 0.02182 Eigenvalues --- 0.02311 0.02935 0.03941 0.04479 0.04702 Eigenvalues --- 0.05345 0.05361 0.05461 0.05619 0.05802 Eigenvalues --- 0.06203 0.07586 0.09050 0.09244 0.13200 Eigenvalues --- 0.15159 0.15947 0.15983 0.15998 0.16013 Eigenvalues --- 0.16042 0.16081 0.16342 0.16692 0.19457 Eigenvalues --- 0.21901 0.23121 0.23559 0.24716 0.24783 Eigenvalues --- 0.25211 0.26960 0.28231 0.28706 0.29089 Eigenvalues --- 0.30849 0.31728 0.34062 0.34774 0.34823 Eigenvalues --- 0.34830 0.34842 0.34888 0.34932 0.35686 Eigenvalues --- 0.36314 0.38093 0.40460 0.42511 0.42843 Eigenvalues --- 0.43002 0.44839 0.46647 0.48474 0.52407 Eigenvalues --- 0.56328 0.63278 0.88539 1.41332 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 RFO step: Lambda=-4.43867581D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.18021 0.89082 -1.07103 Iteration 1 RMS(Cart)= 0.03151659 RMS(Int)= 0.00189890 Iteration 2 RMS(Cart)= 0.00190350 RMS(Int)= 0.00006181 Iteration 3 RMS(Cart)= 0.00000841 RMS(Int)= 0.00006155 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006155 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86955 0.00031 -0.00277 0.00158 -0.00119 2.86837 R2 2.64397 -0.00097 0.00087 -0.00137 -0.00050 2.64347 R3 2.80305 0.00049 0.00408 0.00123 0.00530 2.80835 R4 2.02704 -0.00040 0.00114 -0.00055 0.00059 2.02764 R5 2.05068 0.00003 -0.00080 -0.00006 -0.00086 2.04982 R6 2.04660 0.00002 0.00000 0.00001 0.00001 2.04661 R7 2.04175 -0.00050 0.00064 -0.00011 0.00053 2.04228 R8 1.78781 0.00105 -0.00499 0.00359 -0.00141 1.78640 R9 2.25536 0.00054 -0.00072 0.00077 0.00005 2.25541 R10 2.62620 0.00003 -0.00035 0.00038 -0.00001 2.62619 R11 2.73140 0.00006 0.00100 0.00011 0.00110 2.73250 R12 2.54313 0.00034 -0.00136 0.00145 0.00005 2.54318 R13 1.88743 -0.00009 -0.00030 0.00031 0.00001 1.88743 R14 3.18053 0.00016 -0.00138 0.00160 0.00022 3.18075 R15 2.58038 0.00000 -0.00255 0.00012 -0.00242 2.57796 R16 2.65695 0.00033 0.00084 -0.00101 -0.00012 2.65683 R17 2.52483 -0.00022 -0.00003 -0.00042 -0.00042 2.52441 R18 2.86947 -0.00015 -0.00108 0.00042 -0.00066 2.86881 R19 2.02379 0.00022 -0.00028 -0.00008 -0.00036 2.02343 R20 2.02718 0.00101 -0.00102 0.00111 0.00009 2.02727 R21 2.04747 -0.00032 0.00024 0.00009 0.00033 2.04780 R22 2.90302 0.00043 0.00039 -0.00002 0.00037 2.90338 R23 2.05050 -0.00006 0.00007 -0.00006 0.00002 2.05051 R24 2.04733 0.00007 -0.00014 -0.00003 -0.00017 2.04716 R25 2.05038 -0.00076 0.00133 -0.00060 0.00073 2.05111 A1 1.97095 -0.00065 -0.00491 0.00082 -0.00412 1.96683 A2 1.97670 0.00159 -0.00918 0.00398 -0.00522 1.97148 A3 1.89273 -0.00017 0.00509 -0.00098 0.00415 1.89689 A4 1.87410 0.00001 0.00082 0.00280 0.00349 1.87759 A5 1.91463 0.00008 0.00544 -0.00368 0.00175 1.91637 A6 1.82909 -0.00089 0.00387 -0.00349 0.00039 1.82948 A7 1.89593 0.00026 -0.00154 0.00190 0.00036 1.89629 A8 1.91305 0.00028 -0.00297 0.00135 -0.00163 1.91143 A9 1.97327 -0.00061 0.00206 -0.00296 -0.00090 1.97237 A10 1.89008 -0.00016 0.00403 0.00024 0.00427 1.89435 A11 1.88524 -0.00001 0.00212 -0.00036 0.00176 1.88700 A12 1.90439 0.00024 -0.00345 -0.00007 -0.00353 1.90086 A13 1.90744 0.00036 0.00039 0.00176 0.00215 1.90959 A14 2.10107 0.00033 -0.00074 0.00075 0.00012 2.10118 A15 2.21814 -0.00003 -0.00086 -0.00009 -0.00085 2.21730 A16 1.96244 -0.00024 0.00190 -0.00065 0.00130 1.96374 A17 2.23225 0.00012 -0.00235 0.00034 -0.00208 2.23017 A18 2.02904 -0.00017 0.00157 -0.00058 0.00098 2.03002 A19 2.02159 0.00005 0.00071 0.00016 0.00087 2.02246 A20 2.06606 -0.00049 0.00300 -0.00083 0.00216 2.06822 A21 2.03187 0.00010 0.00113 -0.00088 0.00024 2.03211 A22 2.18523 0.00039 -0.00411 0.00175 -0.00237 2.18286 A23 2.04914 0.00013 -0.00226 0.00389 0.00152 2.05066 A24 2.12379 0.00013 -0.00057 -0.00344 -0.00409 2.11970 A25 2.10203 -0.00030 0.00150 -0.00033 0.00120 2.10323 A26 2.10587 0.00015 -0.00185 0.00064 -0.00132 2.10454 A27 2.11002 0.00101 -0.00428 0.00033 -0.00425 2.10577 A28 2.06336 -0.00113 0.00448 0.00065 0.00481 2.06816 A29 2.12116 0.00020 -0.00089 -0.00022 -0.00112 2.12004 A30 2.04843 -0.00000 -0.00154 0.00050 -0.00113 2.04730 A31 2.11178 -0.00020 0.00184 -0.00011 0.00164 2.11342 A32 1.95488 -0.00028 -0.00156 0.00243 0.00076 1.95564 A33 1.86933 -0.00022 0.00422 -0.00123 0.00300 1.87233 A34 1.94329 0.00047 -0.00402 0.00073 -0.00334 1.93995 A35 1.85497 0.00016 0.00133 -0.00133 0.00003 1.85500 A36 1.92851 0.00058 -0.00576 0.00155 -0.00425 1.92426 A37 1.90933 -0.00078 0.00682 -0.00249 0.00437 1.91370 A38 1.91566 0.00007 0.00083 -0.00009 0.00073 1.91640 A39 1.94144 -0.00007 0.00051 0.00146 0.00197 1.94341 A40 1.95088 0.00054 -0.00343 -0.00007 -0.00350 1.94737 A41 1.88815 -0.00007 0.00097 -0.00049 0.00046 1.88862 A42 1.88497 -0.00021 0.00045 -0.00035 0.00010 1.88507 A43 1.88065 -0.00028 0.00082 -0.00053 0.00029 1.88094 D1 1.02335 -0.00028 -0.06311 0.02434 -0.03881 0.98454 D2 3.08540 -0.00015 -0.06084 0.02651 -0.03438 3.05102 D3 -1.06902 -0.00005 -0.06602 0.02537 -0.04069 -1.10971 D4 -3.12482 0.00045 -0.07318 0.03179 -0.04134 3.11702 D5 -1.06277 0.00058 -0.07092 0.03396 -0.03691 -1.09968 D6 1.06600 0.00068 -0.07610 0.03282 -0.04323 1.02277 D7 -1.10241 0.00016 -0.07040 0.02916 -0.04124 -1.14365 D8 0.95964 0.00029 -0.06813 0.03133 -0.03681 0.92283 D9 3.08841 0.00039 -0.07332 0.03019 -0.04313 3.04528 D10 -1.60741 -0.00004 -0.12275 -0.03840 -0.16117 -1.76857 D11 2.48429 -0.00164 -0.10810 -0.04617 -0.15423 2.33007 D12 0.50597 -0.00064 -0.11567 -0.04172 -0.15740 0.34857 D13 1.82120 0.00009 -0.01945 0.00572 -0.01373 1.80747 D14 -1.45738 -0.00021 -0.03119 0.00670 -0.02446 -1.48184 D15 -2.27394 0.00035 -0.03160 0.01162 -0.02002 -2.29396 D16 0.73067 0.00005 -0.04334 0.01260 -0.03074 0.69992 D17 -0.23860 0.00002 -0.02324 0.00700 -0.01624 -0.25484 D18 2.76601 -0.00028 -0.03498 0.00798 -0.02697 2.73904 D19 -3.09356 0.00074 0.01535 0.00414 0.01950 -3.07406 D20 0.02035 0.00069 0.01007 0.00025 0.01030 0.03065 D21 0.10351 -0.00034 0.00394 0.00399 0.00796 0.11146 D22 -3.06577 -0.00040 -0.00134 0.00011 -0.00124 -3.06701 D23 -3.13960 -0.00056 -0.01380 0.00049 -0.01331 3.13028 D24 -0.06209 -0.00064 -0.02691 0.00361 -0.02330 -0.08539 D25 -0.05801 0.00062 -0.00144 0.00068 -0.00079 -0.05880 D26 3.01950 0.00055 -0.01455 0.00380 -0.01078 3.00872 D27 3.12603 0.00022 -0.00393 -0.00604 -0.01003 3.11600 D28 -0.02376 -0.00010 -0.00243 -0.00197 -0.00439 -0.02815 D29 0.01202 0.00028 0.00133 -0.00216 -0.00087 0.01115 D30 -3.13777 -0.00004 0.00283 0.00191 0.00477 -3.13300 D31 2.90142 0.00004 -0.01344 -0.00402 -0.01755 2.88387 D32 -0.10498 0.00031 -0.00173 -0.00472 -0.00649 -0.11147 D33 -0.24899 -0.00031 -0.01175 0.00036 -0.01147 -0.26046 D34 3.02779 -0.00004 -0.00005 -0.00035 -0.00041 3.02738 D35 -2.85414 0.00026 0.01624 0.00795 0.02423 -2.82991 D36 0.38451 -0.00006 0.04498 -0.01193 0.03287 0.41739 D37 0.14638 -0.00002 0.00388 0.00927 0.01319 0.15957 D38 -2.89815 -0.00034 0.03261 -0.01061 0.02183 -2.87632 D39 -0.05791 -0.00049 -0.00211 -0.00698 -0.00908 -0.06700 D40 -3.13312 -0.00041 0.01155 -0.01023 0.00139 -3.13172 D41 2.98917 -0.00006 -0.03023 0.01236 -0.01803 2.97113 D42 -0.08604 0.00001 -0.01657 0.00911 -0.00756 -0.09359 D43 -0.49483 0.00015 -0.02184 0.01142 -0.01044 -0.50527 D44 -2.52208 0.00024 -0.02512 0.01245 -0.01270 -2.53478 D45 1.67443 0.00106 -0.03377 0.01583 -0.01796 1.65647 D46 2.74151 -0.00023 0.00631 -0.00799 -0.00165 2.73986 D47 0.71426 -0.00014 0.00303 -0.00695 -0.00391 0.71035 D48 -1.37241 0.00068 -0.00562 -0.00358 -0.00917 -1.38158 D49 -3.09618 -0.00036 0.01653 -0.00808 0.00842 -3.08776 D50 1.09799 -0.00027 0.01447 -0.00834 0.00611 1.10409 D51 -1.00512 -0.00023 0.01543 -0.00862 0.00678 -0.99834 D52 -0.91212 0.00005 0.00704 -0.00323 0.00385 -0.90827 D53 -3.00113 0.00014 0.00499 -0.00349 0.00154 -2.99960 D54 1.17895 0.00018 0.00594 -0.00377 0.00221 1.18116 D55 1.12425 0.00012 0.00944 -0.00543 0.00400 1.12825 D56 -0.96477 0.00021 0.00738 -0.00569 0.00169 -0.96308 D57 -3.06787 0.00025 0.00834 -0.00597 0.00236 -3.06551 Item Value Threshold Converged? Maximum Force 0.001640 0.000450 NO RMS Force 0.000450 0.000300 NO Maximum Displacement 0.204636 0.001800 NO RMS Displacement 0.031631 0.001200 NO Predicted change in Energy=-1.955214D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.998850 -4.986942 2.092733 2 6 0 7.171763 -5.192566 3.586641 3 8 0 6.938533 -6.192354 1.385515 4 8 0 2.855075 -2.220172 -0.110596 5 6 0 3.672447 -2.858954 0.479602 6 7 0 4.902218 -2.298949 0.804231 7 6 0 5.950599 -2.899070 1.397449 8 16 0 7.352466 -2.002174 1.649344 9 7 0 5.781541 -4.205426 1.752248 10 6 0 4.525645 -4.823712 1.621496 11 6 0 3.527396 -4.206524 0.983448 12 1 0 7.816182 -4.393569 1.730570 13 1 0 8.062356 -5.788779 3.753930 14 1 0 7.303795 -4.232964 4.071061 15 1 0 5.037587 -1.345011 0.541070 16 6 0 4.235486 -6.141396 2.317316 17 1 0 2.565082 -4.666029 0.886905 18 1 0 6.335206 -5.702867 4.042424 19 1 0 7.775029 -6.359879 0.978273 20 1 0 5.121337 -6.732743 2.445548 21 1 0 3.581252 -6.711054 1.667882 22 6 0 3.547635 -5.913227 3.672063 23 1 0 3.399805 -6.863823 4.173982 24 1 0 2.580261 -5.441495 3.548706 25 1 0 4.144454 -5.280321 4.321160 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517874 0.000000 3 O 1.398862 2.428771 0.000000 4 O 5.447985 6.413928 5.889924 0.000000 5 C 4.265616 5.229211 4.753899 1.193512 0.000000 6 N 3.644367 4.611470 4.432051 2.243637 1.389722 7 C 2.437511 3.397635 3.438296 3.509611 2.456426 8 S 3.038170 3.736893 4.218833 4.834401 3.955364 9 N 1.486115 2.504427 2.328306 3.996952 2.807293 10 C 2.522984 3.316592 2.784044 3.545330 2.427374 11 C 3.727004 4.585880 3.967497 2.365279 1.445976 12 H 1.072979 2.121006 2.030999 5.720675 4.592440 13 H 2.129216 1.084717 2.652403 7.401708 6.210990 14 H 2.138985 1.083019 3.344366 6.428739 5.288967 15 H 4.417903 5.351064 5.274791 2.440069 2.039463 16 C 3.003228 3.336642 2.859600 4.814176 3.803766 17 H 4.606007 5.365382 4.658901 2.657315 2.158165 18 H 2.180428 1.080728 2.768170 6.441121 5.279377 19 H 1.931174 2.920640 0.945324 6.521408 5.416303 20 H 2.587924 2.806863 2.172071 5.659780 4.579352 21 H 3.851368 4.345021 3.408829 4.884500 4.032246 22 C 3.906811 3.696073 4.099318 5.331679 4.419951 23 H 4.561514 4.167222 4.555109 6.341753 5.455433 24 H 4.674441 4.598401 4.923182 4.882922 4.157137 25 H 3.633116 3.116379 4.154118 5.537822 4.565455 6 7 8 9 10 6 N 0.000000 7 C 1.345792 0.000000 8 S 2.608832 1.683182 0.000000 9 N 2.303607 1.364196 2.707898 0.000000 10 C 2.680328 2.405190 3.994091 1.405934 0.000000 11 C 2.358199 2.784376 4.464721 2.381644 1.335862 12 H 3.706309 2.413482 2.437294 2.043436 3.320324 13 H 5.555728 4.285200 4.389943 3.422842 4.241103 14 H 4.492234 3.280032 3.292948 2.773969 3.750662 15 H 0.998787 1.995514 2.649301 3.194119 3.678419 16 C 4.183104 3.781593 5.224453 2.541174 1.518107 17 H 3.327478 3.852860 5.531408 3.362527 2.099594 18 H 4.911823 3.873641 4.522917 2.791734 3.147747 19 H 4.977398 3.934649 4.429277 3.035573 3.651308 20 H 4.732913 4.059955 5.290572 2.702566 2.162940 21 H 4.685886 4.496461 6.032905 3.335650 2.110946 22 C 4.808572 4.475852 5.819319 3.404793 2.519598 23 H 5.869459 5.471285 6.755217 4.313298 3.456118 24 H 4.774854 4.738250 6.181460 3.873412 2.807189 25 H 4.672428 4.180981 5.308125 3.230288 2.764414 11 12 13 14 15 11 C 0.000000 12 H 4.357391 0.000000 13 H 5.544814 2.470060 0.000000 14 H 4.878037 2.401297 1.759700 0.000000 15 H 3.265676 4.292925 6.262489 5.092819 0.000000 16 C 2.454450 4.027474 4.102819 4.016497 5.177232 17 H 1.070754 5.325416 6.300827 5.725539 4.154762 18 H 4.413634 3.041746 1.753185 1.760568 5.738833 19 H 4.762285 2.105712 2.848330 3.783011 5.730065 20 H 3.325682 3.639383 3.354478 3.695173 5.715042 21 H 2.596925 4.827970 5.028168 5.076763 5.673186 22 C 3.184634 4.929427 4.517178 4.134154 5.735127 23 H 4.154157 5.619324 4.803285 4.708838 6.807178 24 H 3.000460 5.640801 5.496916 4.903588 5.644954 25 H 3.560073 4.580291 3.991269 3.337805 5.529325 16 17 18 19 20 16 C 0.000000 17 H 2.648213 0.000000 18 H 2.752658 5.024556 0.000000 19 H 3.790664 5.479145 3.448736 0.000000 20 H 1.072784 3.638010 2.254802 3.055161 0.000000 21 H 1.083650 2.413432 3.773479 4.264581 1.725426 22 C 1.536405 3.205935 2.819924 5.032581 2.156962 23 H 2.160434 4.041279 3.159384 5.441425 2.443019 24 H 2.178521 2.772501 3.796272 5.868234 3.056361 25 H 2.182917 3.829606 2.248473 5.051873 2.565492 21 22 23 24 25 21 H 0.000000 22 C 2.157406 0.000000 23 H 2.517300 1.085085 0.000000 24 H 2.480174 1.083310 1.756599 0.000000 25 H 3.066607 1.085399 1.756031 1.751960 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.469489 1.091425 -0.443083 2 6 0 2.436605 1.184864 0.723063 3 8 0 2.055061 0.538381 -1.586788 4 8 0 -3.261798 -1.601046 -0.228454 5 6 0 -2.177102 -1.105727 -0.177795 6 7 0 -2.035162 0.249470 0.095377 7 6 0 -0.899751 0.971637 0.117105 8 16 0 -1.002354 2.619868 0.442541 9 7 0 0.257191 0.291643 -0.128093 10 6 0 0.249078 -1.108630 -0.253867 11 6 0 -0.904872 -1.778622 -0.317407 12 1 0 1.100220 2.074563 -0.663003 13 1 0 3.302244 1.759042 0.410651 14 1 0 1.960401 1.700925 1.547588 15 1 0 -2.877898 0.756862 0.268365 16 6 0 1.542895 -1.899600 -0.182776 17 1 0 -0.920605 -2.845736 -0.404200 18 1 0 2.779772 0.219036 1.065678 19 1 0 2.275048 1.229787 -2.192759 20 1 0 2.383577 -1.328274 -0.525859 21 1 0 1.446123 -2.736805 -0.863967 22 6 0 1.797857 -2.418614 1.240656 23 1 0 2.752491 -2.933030 1.278857 24 1 0 1.026503 -3.112909 1.551344 25 1 0 1.824294 -1.608228 1.962228 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7937946 0.6985401 0.4324025 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 946.2964042798 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999969 0.002857 -0.000399 0.007328 Ang= 0.90 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.078987795 A.U. after 13 cycles NFock= 13 Conv=0.75D-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 -0.003235639 -0.001900524 -0.000205992 2 6 0.000743528 0.000019583 0.000664200 3 8 0.000588078 0.000645190 0.003256187 4 8 -0.000320256 0.000060991 -0.000508731 5 6 -0.000337196 0.000504785 0.000560889 6 7 -0.000034752 0.000113287 0.000216289 7 6 0.000896913 -0.001110021 -0.001449850 8 16 -0.000178857 0.000435578 0.000151828 9 7 0.001325765 0.001639604 -0.001175725 10 6 -0.000229221 0.000664807 0.001201952 11 6 0.000371563 -0.000125957 0.000132382 12 1 -0.000128792 -0.000532941 0.000472364 13 1 0.000234330 0.000318591 0.000231941 14 1 -0.000190709 -0.000071199 0.000078712 15 1 -0.000165912 -0.000072066 0.000002850 16 6 0.000215737 0.000075092 -0.000213573 17 1 -0.000242358 -0.000444879 -0.000093742 18 1 0.000902802 -0.000521518 -0.000852163 19 1 0.000759445 0.000299016 -0.002247435 20 1 0.000796902 -0.000623130 -0.000494222 21 1 -0.000354072 0.000710485 0.000462748 22 6 -0.000098148 0.000233112 0.000097203 23 1 -0.000078958 0.000110919 -0.000004534 24 1 -0.000097368 0.000102041 -0.000056977 25 1 -0.001142824 -0.000530847 -0.000226601 ------------------------------------------------------------------- Cartesian Forces: Max 0.003256187 RMS 0.000836568 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002415606 RMS 0.000674897 Search for a local minimum. Step number 13 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 12 13 DE= -2.28D-04 DEPred=-1.96D-04 R= 1.17D+00 TightC=F SS= 1.41D+00 RLast= 3.13D-01 DXNew= 2.3673D+00 9.3856D-01 Trust test= 1.17D+00 RLast= 3.13D-01 DXMaxT set to 1.41D+00 ITU= 1 1 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00012 0.00230 0.00456 0.00554 0.01421 Eigenvalues --- 0.01622 0.01847 0.01931 0.02053 0.02187 Eigenvalues --- 0.02324 0.03529 0.03957 0.04474 0.05319 Eigenvalues --- 0.05362 0.05469 0.05586 0.05789 0.06176 Eigenvalues --- 0.06535 0.08278 0.08963 0.09188 0.13295 Eigenvalues --- 0.15206 0.15969 0.15980 0.16008 0.16031 Eigenvalues --- 0.16060 0.16186 0.16339 0.16665 0.19956 Eigenvalues --- 0.21895 0.23355 0.23546 0.24740 0.24856 Eigenvalues --- 0.25251 0.26964 0.28442 0.28762 0.29516 Eigenvalues --- 0.31197 0.31776 0.34070 0.34781 0.34824 Eigenvalues --- 0.34834 0.34842 0.34889 0.34935 0.35699 Eigenvalues --- 0.36370 0.38052 0.40873 0.42504 0.42800 Eigenvalues --- 0.43043 0.45042 0.47164 0.48669 0.56180 Eigenvalues --- 0.57216 0.63397 0.88987 1.56844 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 RFO step: Lambda=-8.76371565D-04. DidBck=T Rises=F RFO-DIIS coefs: -0.55431 1.01171 2.54260 -2.00000 Iteration 1 RMS(Cart)= 0.01116540 RMS(Int)= 0.00038579 Iteration 2 RMS(Cart)= 0.00037811 RMS(Int)= 0.00011872 Iteration 3 RMS(Cart)= 0.00000035 RMS(Int)= 0.00011872 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86837 0.00035 -0.00202 0.00247 0.00045 2.86881 R2 2.64347 -0.00138 0.00186 -0.00056 0.00131 2.64477 R3 2.80835 0.00097 -0.00648 0.00482 -0.00165 2.80670 R4 2.02764 -0.00055 0.00085 -0.00101 -0.00017 2.02747 R5 2.04982 0.00005 0.00056 -0.00009 0.00047 2.05029 R6 2.04661 -0.00005 -0.00026 0.00061 0.00035 2.04696 R7 2.04228 -0.00081 -0.00028 0.00060 0.00032 2.04260 R8 1.78640 0.00159 -0.00616 0.00722 0.00107 1.78747 R9 2.25541 0.00050 -0.00161 0.00201 0.00040 2.25581 R10 2.62619 -0.00001 -0.00058 0.00061 -0.00005 2.62615 R11 2.73250 -0.00006 -0.00090 0.00071 -0.00019 2.73231 R12 2.54318 0.00052 -0.00278 0.00264 -0.00022 2.54296 R13 1.88743 -0.00009 -0.00071 0.00074 0.00003 1.88746 R14 3.18075 0.00011 -0.00379 0.00479 0.00101 3.18176 R15 2.57796 0.00025 0.00080 0.00003 0.00083 2.57879 R16 2.65683 0.00098 0.00188 -0.00212 -0.00015 2.65668 R17 2.52441 -0.00010 0.00095 -0.00116 -0.00013 2.52428 R18 2.86881 -0.00012 0.00026 -0.00009 0.00017 2.86897 R19 2.02343 0.00042 0.00062 -0.00088 -0.00025 2.02318 R20 2.02727 0.00094 -0.00180 0.00207 0.00027 2.02753 R21 2.04780 -0.00044 -0.00056 0.00070 0.00014 2.04794 R22 2.90338 0.00045 0.00023 -0.00013 0.00009 2.90348 R23 2.05051 -0.00009 0.00004 -0.00002 0.00002 2.05053 R24 2.04716 0.00014 0.00004 -0.00011 -0.00007 2.04709 R25 2.05111 -0.00107 0.00013 0.00017 0.00030 2.05140 A1 1.96683 -0.00114 -0.00021 0.00479 0.00448 1.97131 A2 1.97148 0.00240 -0.00225 0.00017 -0.00214 1.96933 A3 1.89689 -0.00042 0.00000 0.00221 0.00230 1.89919 A4 1.87759 0.00030 -0.00977 0.00875 -0.00129 1.87630 A5 1.91637 0.00018 0.00741 -0.01197 -0.00457 1.91180 A6 1.82948 -0.00134 0.00593 -0.00522 0.00076 1.83024 A7 1.89629 0.00028 -0.00373 0.00517 0.00144 1.89773 A8 1.91143 0.00028 -0.00093 0.00152 0.00060 1.91202 A9 1.97237 -0.00062 0.00517 -0.00635 -0.00117 1.97119 A10 1.89435 -0.00022 -0.00317 0.00269 -0.00048 1.89387 A11 1.88700 -0.00007 -0.00081 0.00079 -0.00002 1.88698 A12 1.90086 0.00036 0.00312 -0.00347 -0.00036 1.90051 A13 1.90959 0.00060 -0.00571 0.00385 -0.00186 1.90773 A14 2.10118 0.00039 -0.00116 0.00161 0.00047 2.10165 A15 2.21730 0.00007 0.00095 -0.00088 0.00010 2.21740 A16 1.96374 -0.00044 0.00101 -0.00087 0.00029 1.96403 A17 2.23017 0.00029 0.00108 -0.00093 0.00018 2.23035 A18 2.03002 -0.00029 0.00036 -0.00050 -0.00015 2.02988 A19 2.02246 -0.00001 -0.00104 0.00109 0.00003 2.02249 A20 2.06822 -0.00071 0.00067 -0.00155 -0.00092 2.06730 A21 2.03211 0.00027 0.00158 -0.00156 0.00012 2.03223 A22 2.18286 0.00044 -0.00234 0.00316 0.00079 2.18365 A23 2.05066 -0.00060 -0.00901 0.00912 -0.00012 2.05054 A24 2.11970 0.00132 0.00891 -0.00841 0.00029 2.11999 A25 2.10323 -0.00076 0.00024 -0.00074 -0.00033 2.10290 A26 2.10454 0.00019 0.00011 -0.00035 -0.00035 2.10419 A27 2.10577 0.00227 0.00288 -0.00162 0.00065 2.10641 A28 2.06816 -0.00242 -0.00362 0.00454 0.00024 2.06841 A29 2.12004 0.00046 0.00076 -0.00043 0.00046 2.12050 A30 2.04730 0.00001 0.00008 -0.00032 -0.00047 2.04683 A31 2.11342 -0.00047 -0.00057 0.00073 -0.00008 2.11335 A32 1.95564 -0.00038 -0.00585 0.00692 0.00090 1.95654 A33 1.87233 -0.00026 0.00004 0.00035 0.00040 1.87273 A34 1.93995 0.00067 0.00240 -0.00368 -0.00138 1.93857 A35 1.85500 0.00020 0.00255 -0.00202 0.00059 1.85559 A36 1.92426 0.00089 0.00113 -0.00320 -0.00216 1.92210 A37 1.91370 -0.00121 0.00004 0.00180 0.00188 1.91557 A38 1.91640 -0.00001 -0.00026 0.00052 0.00026 1.91666 A39 1.94341 -0.00031 -0.00503 0.00708 0.00204 1.94545 A40 1.94737 0.00100 0.00404 -0.00626 -0.00223 1.94515 A41 1.88862 -0.00000 0.00033 -0.00030 0.00003 1.88864 A42 1.88507 -0.00033 0.00058 -0.00062 -0.00004 1.88503 A43 1.88094 -0.00039 0.00043 -0.00049 -0.00007 1.88088 D1 0.98454 -0.00050 -0.00530 -0.00920 -0.01457 0.96997 D2 3.05102 -0.00045 -0.01184 -0.00204 -0.01396 3.03706 D3 -1.10971 -0.00021 -0.00500 -0.00970 -0.01478 -1.12450 D4 3.11702 0.00085 -0.02078 0.00619 -0.01450 3.10252 D5 -1.09968 0.00091 -0.02732 0.01335 -0.01389 -1.11357 D6 1.02277 0.00115 -0.02049 0.00569 -0.01471 1.00806 D7 -1.14365 0.00032 -0.01462 0.00127 -0.01336 -1.15701 D8 0.92283 0.00038 -0.02116 0.00842 -0.01275 0.91009 D9 3.04528 0.00062 -0.01432 0.00077 -0.01357 3.03171 D10 -1.76857 0.00025 0.16502 -0.09085 0.07415 -1.69442 D11 2.33007 -0.00227 0.17550 -0.10077 0.07480 2.40486 D12 0.34857 -0.00094 0.17019 -0.09327 0.07687 0.42544 D13 1.80747 0.00014 0.01148 -0.01474 -0.00330 1.80416 D14 -1.48184 -0.00022 0.01037 -0.01496 -0.00456 -1.48640 D15 -2.29396 0.00054 0.00208 -0.00201 0.00002 -2.29394 D16 0.69992 0.00018 0.00097 -0.00223 -0.00124 0.69868 D17 -0.25484 0.00022 0.00884 -0.01426 -0.00542 -0.26026 D18 2.73904 -0.00013 0.00773 -0.01447 -0.00668 2.73236 D19 -3.07406 0.00028 0.00267 0.01260 0.01531 -3.05875 D20 0.03065 0.00022 0.01658 0.00101 0.01759 0.04825 D21 0.11146 -0.00002 -0.02962 0.01590 -0.01368 0.09779 D22 -3.06701 -0.00009 -0.01570 0.00430 -0.01140 -3.07840 D23 3.13028 -0.00004 -0.01576 -0.00316 -0.01890 3.11138 D24 -0.08539 -0.00004 -0.01683 -0.00343 -0.02024 -0.10563 D25 -0.05880 0.00030 0.01913 -0.00664 0.01244 -0.04636 D26 3.00872 0.00030 0.01806 -0.00691 0.01109 3.01982 D27 3.11600 0.00017 0.02319 -0.02038 0.00273 3.11873 D28 -0.02815 -0.00025 0.01039 -0.00005 0.01037 -0.01778 D29 0.01115 0.00024 0.00931 -0.00880 0.00046 0.01161 D30 -3.13300 -0.00018 -0.00348 0.01153 0.00810 -3.12490 D31 2.88387 0.00015 0.02038 -0.02643 -0.00618 2.87769 D32 -0.11147 0.00032 0.02062 -0.02552 -0.00499 -0.11646 D33 -0.26046 -0.00031 0.00671 -0.00460 0.00203 -0.25844 D34 3.02738 -0.00014 0.00695 -0.00369 0.00322 3.03060 D35 -2.82991 0.00028 -0.02799 0.03408 0.00621 -2.82369 D36 0.41739 0.00000 -0.00483 0.00512 0.00004 0.41743 D37 0.15957 -0.00007 -0.02976 0.03465 0.00493 0.16451 D38 -2.87632 -0.00035 -0.00660 0.00569 -0.00124 -2.87756 D39 -0.06700 -0.00029 0.00805 -0.01714 -0.00908 -0.07608 D40 -3.13172 -0.00032 0.00901 -0.01681 -0.00767 -3.13940 D41 2.97113 0.00026 -0.01358 0.01085 -0.00302 2.96812 D42 -0.09359 0.00023 -0.01261 0.01118 -0.00161 -0.09520 D43 -0.50527 0.00010 0.00281 0.00259 0.00535 -0.49992 D44 -2.53478 0.00023 0.00290 0.00103 0.00391 -2.53087 D45 1.65647 0.00148 0.00142 0.00076 0.00217 1.65864 D46 2.73986 -0.00032 0.02483 -0.02550 -0.00066 2.73920 D47 0.71035 -0.00019 0.02492 -0.02705 -0.00211 0.70824 D48 -1.38158 0.00106 0.02344 -0.02733 -0.00385 -1.38543 D49 -3.08776 -0.00057 0.00822 -0.00435 0.00383 -3.08394 D50 1.10409 -0.00037 0.01120 -0.00884 0.00232 1.10641 D51 -0.99834 -0.00034 0.01137 -0.00879 0.00253 -0.99581 D52 -0.90827 0.00007 0.00277 -0.00040 0.00243 -0.90584 D53 -2.99960 0.00027 0.00574 -0.00488 0.00092 -2.99868 D54 1.18116 0.00029 0.00591 -0.00484 0.00113 1.18229 D55 1.12825 0.00011 0.00666 -0.00365 0.00299 1.13124 D56 -0.96308 0.00032 0.00964 -0.00814 0.00148 -0.96160 D57 -3.06551 0.00034 0.00980 -0.00809 0.00169 -3.06382 Item Value Threshold Converged? Maximum Force 0.002416 0.000450 NO RMS Force 0.000675 0.000300 NO Maximum Displacement 0.079819 0.001800 NO RMS Displacement 0.011183 0.001200 NO Predicted change in Energy=-6.032208D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.997366 -4.984903 2.087980 2 6 0 7.175006 -5.189521 3.581712 3 8 0 6.933346 -6.188228 1.376182 4 8 0 2.856497 -2.220883 -0.116962 5 6 0 3.667557 -2.853305 0.489011 6 7 0 4.899682 -2.295371 0.808131 7 6 0 5.947334 -2.895182 1.402685 8 16 0 7.350757 -1.998379 1.649756 9 7 0 5.779499 -4.203060 1.754127 10 6 0 4.523463 -4.821031 1.624092 11 6 0 3.525855 -4.204033 0.985007 12 1 0 7.813513 -4.393480 1.720258 13 1 0 8.057426 -5.798631 3.747445 14 1 0 7.323330 -4.230912 4.063792 15 1 0 5.036673 -1.342737 0.541059 16 6 0 4.234447 -6.141701 2.314902 17 1 0 2.565447 -4.665985 0.882802 18 1 0 6.332512 -5.686122 4.042070 19 1 0 7.786991 -6.386951 1.020511 20 1 0 5.120846 -6.732350 2.443735 21 1 0 3.581729 -6.710352 1.662939 22 6 0 3.547014 -5.917203 3.670531 23 1 0 3.402780 -6.868661 4.171881 24 1 0 2.578315 -5.447349 3.550796 25 1 0 4.144617 -5.283673 4.318559 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518111 0.000000 3 O 1.399552 2.433142 0.000000 4 O 5.445032 6.414244 5.881327 0.000000 5 C 4.264744 5.227323 4.751227 1.193725 0.000000 6 N 3.643058 4.609334 4.428635 2.244092 1.389697 7 C 2.437033 3.394014 3.437597 3.509598 2.456407 8 S 3.039120 3.734533 4.219468 4.834167 3.955273 9 N 1.485239 2.502121 2.327036 3.996742 2.807607 10 C 2.522349 3.316435 2.781766 3.545535 2.427536 11 C 3.725278 4.585888 3.962454 2.365430 1.445876 12 H 1.072891 2.122825 2.028350 5.715555 4.590976 13 H 2.130658 1.084965 2.652966 7.401594 6.209935 14 H 2.139763 1.083204 3.347599 6.439838 5.295426 15 H 4.416181 5.349373 5.270065 2.440758 2.039363 16 C 3.003897 3.340410 2.857869 4.815135 3.803787 17 H 4.603918 5.367144 4.651794 2.657586 2.157667 18 H 2.179955 1.080896 2.778501 6.433359 5.267928 19 H 1.930994 2.892769 0.945887 6.554368 5.453337 20 H 2.588717 2.809783 2.172761 5.660193 4.580392 21 H 3.850249 4.348133 3.404141 4.883579 4.032653 22 C 3.908782 3.701315 4.099358 5.337106 4.418605 23 H 4.562043 4.171030 4.554537 6.347790 5.454972 24 H 4.677788 4.604020 4.923834 4.892844 4.158130 25 H 3.633583 3.120107 4.153650 5.542001 4.560670 6 7 8 9 10 6 N 0.000000 7 C 1.345676 0.000000 8 S 2.608507 1.683715 0.000000 9 N 2.303967 1.364634 2.709311 0.000000 10 C 2.680726 2.405271 3.995200 1.405854 0.000000 11 C 2.358320 2.784081 4.465051 2.381272 1.335791 12 H 3.704652 2.414202 2.440415 2.043189 3.319108 13 H 5.557315 4.287238 4.397908 3.421712 4.237125 14 H 4.496634 3.280096 3.288241 2.778262 3.760270 15 H 0.998802 1.995442 2.648407 3.194492 3.678978 16 C 4.184155 3.782329 5.226942 2.541649 1.518195 17 H 3.327767 3.852685 5.532046 3.362088 2.099375 18 H 4.899853 3.860578 4.512143 2.782081 3.141283 19 H 5.012254 3.965205 4.454864 3.055748 3.669745 20 H 4.734015 4.060877 5.292767 2.703088 2.163751 21 H 4.686124 4.496593 6.033941 3.335419 2.111375 22 C 4.810479 4.476301 5.823159 3.405125 2.518523 23 H 5.871159 5.470991 6.757757 4.312743 3.455422 24 H 4.779741 4.741122 6.187533 3.876062 2.808570 25 H 4.671528 4.178158 5.309897 3.227518 2.760020 11 12 13 14 15 11 C 0.000000 12 H 4.354365 0.000000 13 H 5.541565 2.478594 0.000000 14 H 4.888809 2.399763 1.759749 0.000000 15 H 3.265988 4.290499 6.265848 5.097059 0.000000 16 C 2.454645 4.027355 4.096956 4.031244 5.178817 17 H 1.070620 5.321445 6.296896 5.739811 4.155445 18 H 4.406761 3.042219 1.753508 1.760632 5.727239 19 H 4.787867 2.112883 2.802753 3.758330 5.765260 20 H 3.326300 3.639256 3.345892 3.705766 5.716222 21 H 2.596989 4.824850 5.020784 5.090314 5.673339 22 C 3.185504 4.932373 4.512626 4.154370 5.739200 23 H 4.155906 5.620635 4.794876 4.726532 6.810897 24 H 3.004487 5.645247 5.493881 4.925246 5.652423 25 H 3.558238 4.583057 3.987660 3.358188 5.531387 16 17 18 19 20 16 C 0.000000 17 H 2.648435 0.000000 18 H 2.755456 5.021198 0.000000 19 H 3.788953 5.499564 3.425855 0.000000 20 H 1.072925 3.638192 2.262167 3.041906 0.000000 21 H 1.083726 2.412650 3.778376 4.266325 1.725981 22 C 1.536455 3.209431 2.819653 5.022019 2.155560 23 H 2.160674 4.046103 3.162053 5.420745 2.440660 24 H 2.179985 2.780088 3.793726 5.866473 3.056350 25 H 2.181495 3.831414 2.241718 5.035994 2.562548 21 22 23 24 25 21 H 0.000000 22 C 2.158869 0.000000 23 H 2.520292 1.085094 0.000000 24 H 2.483148 1.083271 1.756592 0.000000 25 H 3.066688 1.085555 1.756139 1.752013 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.463670 1.096249 -0.445828 2 6 0 2.429751 1.198876 0.720711 3 8 0 2.047429 0.541787 -1.590618 4 8 0 -3.255681 -1.611685 -0.237999 5 6 0 -2.172252 -1.115362 -0.168541 6 7 0 -2.035845 0.241797 0.097483 7 6 0 -0.902924 0.967579 0.121454 8 16 0 -1.013695 2.617005 0.440859 9 7 0 0.256743 0.292046 -0.125638 10 6 0 0.253924 -1.108339 -0.249484 11 6 0 -0.897653 -1.782073 -0.314998 12 1 0 1.089488 2.075905 -0.672450 13 1 0 3.300384 1.763238 0.403471 14 1 0 1.955890 1.728345 1.538298 15 1 0 -2.880975 0.747166 0.264709 16 6 0 1.550800 -1.894780 -0.182105 17 1 0 -0.909613 -2.848636 -0.407354 18 1 0 2.765319 0.234740 1.075919 19 1 0 2.322014 1.237388 -2.169795 20 1 0 2.389750 -1.319892 -0.523915 21 1 0 1.456359 -2.731130 -0.864792 22 6 0 1.809418 -2.412790 1.241087 23 1 0 2.767505 -2.920770 1.279225 24 1 0 1.043055 -3.111545 1.553986 25 1 0 1.831275 -1.600775 1.961214 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7933006 0.6987177 0.4323606 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 946.2282285516 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999998 0.000326 0.000092 -0.001954 Ang= 0.23 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.078656867 A.U. after 12 cycles NFock= 12 Conv=0.84D-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 -0.002871463 -0.001587855 -0.000310795 2 6 0.000891567 -0.000338417 0.000695188 3 8 0.000251391 0.000752280 0.003109168 4 8 -0.000740603 0.000589591 0.001465516 5 6 0.001354066 -0.001150203 -0.004063396 6 7 -0.000891915 0.000618967 0.001600652 7 6 0.001692910 -0.001290081 -0.002374157 8 16 -0.000560803 0.000115213 0.000409792 9 7 0.001199670 0.001892537 -0.000801490 10 6 0.000022610 0.000213329 0.000463766 11 6 -0.000435028 0.000591965 0.001633212 12 1 -0.000067432 -0.000169977 0.000745069 13 1 0.000223806 0.000393121 0.000269554 14 1 -0.000249721 -0.000170900 -0.000083328 15 1 -0.000153825 -0.000059099 0.000110781 16 6 0.000267770 0.000091513 -0.000033577 17 1 -0.000392756 -0.000458026 0.000106363 18 1 0.001037674 -0.000531984 -0.000836810 19 1 0.000499537 0.000347756 -0.001805266 20 1 0.000753126 -0.000495123 -0.000692767 21 1 -0.000363020 0.000751340 0.000563728 22 6 0.000031252 0.000263982 0.000191567 23 1 -0.000087808 0.000113649 -0.000015886 24 1 -0.000093160 0.000118693 -0.000198920 25 1 -0.001317844 -0.000602270 -0.000147966 ------------------------------------------------------------------- Cartesian Forces: Max 0.004063396 RMS 0.001036444 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003111004 RMS 0.000747999 Search for a local minimum. Step number 14 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 11 12 13 14 DE= 3.31D-04 DEPred=-6.03D-04 R=-5.49D-01 Trust test=-5.49D-01 RLast= 1.47D-01 DXMaxT set to 7.04D-01 ITU= -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00020 0.00226 0.00256 0.00554 0.01027 Eigenvalues --- 0.01667 0.01817 0.01931 0.02049 0.02182 Eigenvalues --- 0.02334 0.03941 0.04176 0.04398 0.05246 Eigenvalues --- 0.05362 0.05439 0.05530 0.05780 0.06046 Eigenvalues --- 0.06575 0.07740 0.09032 0.09147 0.12901 Eigenvalues --- 0.15158 0.15743 0.15972 0.15987 0.16015 Eigenvalues --- 0.16060 0.16135 0.16326 0.16610 0.18389 Eigenvalues --- 0.21884 0.22895 0.23593 0.24650 0.24739 Eigenvalues --- 0.25144 0.27172 0.27401 0.28689 0.28972 Eigenvalues --- 0.30463 0.31953 0.34091 0.34779 0.34824 Eigenvalues --- 0.34833 0.34842 0.34903 0.34915 0.35743 Eigenvalues --- 0.36141 0.37276 0.39988 0.42341 0.42721 Eigenvalues --- 0.43064 0.43870 0.46276 0.48261 0.50363 Eigenvalues --- 0.56311 0.64107 0.88058 1.34178 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 12 11 10 RFO step: Lambda=-1.87475592D-03. EnCoef did 100 forward-backward iterations EnCoef did 2 forward-backward iterations DidBck=T Rises=T En-DIIS coefs: 0.37502 0.00000 0.44405 0.18093 0.00000 Iteration 1 RMS(Cart)= 0.04339495 RMS(Int)= 0.01063390 Iteration 2 RMS(Cart)= 0.00984927 RMS(Int)= 0.00034712 Iteration 3 RMS(Cart)= 0.00034271 RMS(Int)= 0.00005515 Iteration 4 RMS(Cart)= 0.00000027 RMS(Int)= 0.00005515 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86881 0.00035 0.00073 -0.00104 -0.00031 2.86850 R2 2.64477 -0.00164 -0.00061 -0.00632 -0.00693 2.63784 R3 2.80670 0.00085 -0.00348 0.00917 0.00568 2.81238 R4 2.02747 -0.00040 -0.00034 0.00012 -0.00023 2.02724 R5 2.05029 0.00000 0.00039 -0.00215 -0.00175 2.04853 R6 2.04696 -0.00022 -0.00028 -0.00107 -0.00134 2.04562 R7 2.04260 -0.00092 -0.00067 -0.00071 -0.00138 2.04122 R8 1.78747 0.00106 0.00042 -0.00239 -0.00197 1.78549 R9 2.25581 0.00007 -0.00032 -0.00067 -0.00099 2.25483 R10 2.62615 -0.00001 0.00005 0.00009 0.00017 2.62632 R11 2.73231 -0.00007 -0.00079 0.00115 0.00041 2.73272 R12 2.54296 0.00063 0.00008 0.00127 0.00135 2.54430 R13 1.88746 -0.00011 -0.00005 -0.00013 -0.00018 1.88729 R14 3.18176 -0.00035 -0.00094 -0.00185 -0.00280 3.17896 R15 2.57879 -0.00011 0.00137 -0.00398 -0.00266 2.57613 R16 2.65668 0.00113 0.00020 -0.00013 0.00002 2.65670 R17 2.52428 -0.00000 0.00042 0.00001 0.00042 2.52470 R18 2.86897 -0.00021 0.00057 -0.00016 0.00040 2.86938 R19 2.02318 0.00054 0.00050 0.00070 0.00120 2.02438 R20 2.02753 0.00081 -0.00017 0.00083 0.00066 2.02820 R21 2.04794 -0.00051 -0.00040 -0.00057 -0.00097 2.04698 R22 2.90348 0.00049 -0.00027 0.00043 0.00016 2.90363 R23 2.05053 -0.00010 -0.00004 -0.00017 -0.00021 2.05032 R24 2.04709 0.00016 0.00016 0.00011 0.00027 2.04735 R25 2.05140 -0.00117 -0.00089 -0.00145 -0.00234 2.04906 A1 1.97131 -0.00139 0.00030 -0.01836 -0.01809 1.95321 A2 1.96933 0.00311 0.00600 0.00702 0.01308 1.98241 A3 1.89919 -0.00070 -0.00466 -0.00477 -0.00942 1.88977 A4 1.87630 -0.00020 -0.00258 0.01026 0.00775 1.88404 A5 1.91180 0.00062 0.00176 0.01272 0.01440 1.92620 A6 1.83024 -0.00146 -0.00086 -0.00540 -0.00627 1.82397 A7 1.89773 0.00034 -0.00118 -0.00396 -0.00515 1.89258 A8 1.91202 0.00009 0.00107 -0.00018 0.00090 1.91292 A9 1.97119 -0.00047 0.00128 -0.00038 0.00090 1.97210 A10 1.89387 -0.00020 -0.00321 0.00383 0.00062 1.89449 A11 1.88698 -0.00014 -0.00150 0.00092 -0.00059 1.88639 A12 1.90051 0.00038 0.00327 -0.00001 0.00326 1.90377 A13 1.90773 0.00047 -0.00081 0.00910 0.00828 1.91601 A14 2.10165 0.00029 -0.00028 -0.00022 -0.00083 2.10082 A15 2.21740 0.00012 0.00072 -0.00048 -0.00009 2.21731 A16 1.96403 -0.00044 -0.00110 0.00026 -0.00104 1.96299 A17 2.23035 0.00032 0.00165 -0.00088 0.00081 2.23116 A18 2.02988 -0.00026 -0.00074 0.00024 -0.00051 2.02936 A19 2.02249 -0.00007 -0.00077 0.00034 -0.00044 2.02205 A20 2.06730 -0.00039 -0.00110 0.00239 0.00124 2.06854 A21 2.03223 0.00026 -0.00026 0.00002 -0.00035 2.03187 A22 2.18365 0.00013 0.00133 -0.00233 -0.00106 2.18260 A23 2.05054 -0.00082 -0.00138 0.00340 0.00209 2.05263 A24 2.11999 0.00154 0.00312 -0.00562 -0.00245 2.11754 A25 2.10290 -0.00074 -0.00069 0.00154 0.00079 2.10369 A26 2.10419 0.00028 0.00136 0.00121 0.00254 2.10673 A27 2.10641 0.00221 0.00313 -0.00314 0.00002 2.10643 A28 2.06841 -0.00248 -0.00409 0.00146 -0.00259 2.06582 A29 2.12050 0.00030 0.00055 -0.00201 -0.00140 2.11909 A30 2.04683 0.00017 0.00125 0.00097 0.00221 2.04903 A31 2.11335 -0.00047 -0.00128 0.00106 -0.00023 2.11312 A32 1.95654 -0.00057 -0.00140 -0.00168 -0.00315 1.95338 A33 1.87273 -0.00027 -0.00278 -0.00208 -0.00486 1.86788 A34 1.93857 0.00085 0.00392 0.00440 0.00830 1.94687 A35 1.85559 0.00021 -0.00037 -0.00162 -0.00197 1.85363 A36 1.92210 0.00107 0.00509 0.00691 0.01199 1.93409 A37 1.91557 -0.00141 -0.00512 -0.00671 -0.01180 1.90377 A38 1.91666 -0.00002 -0.00076 -0.00023 -0.00100 1.91566 A39 1.94545 -0.00057 -0.00310 -0.00503 -0.00814 1.93731 A40 1.94515 0.00132 0.00461 0.00600 0.01061 1.95576 A41 1.88864 0.00008 -0.00046 -0.00040 -0.00088 1.88776 A42 1.88503 -0.00042 -0.00006 -0.00004 -0.00011 1.88492 A43 1.88088 -0.00042 -0.00027 -0.00031 -0.00057 1.88030 D1 0.96997 -0.00028 0.04411 0.04005 0.08422 1.05419 D2 3.03706 -0.00026 0.04016 0.04224 0.08247 3.11953 D3 -1.12450 -0.00003 0.04600 0.04184 0.08790 -1.03659 D4 3.10252 0.00077 0.04552 0.04502 0.09053 -3.09013 D5 -1.11357 0.00078 0.04157 0.04722 0.08877 -1.02480 D6 1.00806 0.00102 0.04741 0.04682 0.09421 1.10227 D7 -1.15701 0.00035 0.04498 0.03944 0.08437 -1.07263 D8 0.91009 0.00037 0.04103 0.04163 0.08262 0.99270 D9 3.03171 0.00060 0.04687 0.04124 0.08805 3.11977 D10 -1.69442 0.00055 0.08396 -0.34097 -0.25696 -1.95138 D11 2.40486 -0.00234 0.07797 -0.34503 -0.26699 2.13787 D12 0.42544 -0.00084 0.07946 -0.35039 -0.27104 0.15440 D13 1.80416 0.00020 0.01609 0.01402 0.03009 1.83425 D14 -1.48640 -0.00008 0.02443 0.00907 0.03346 -1.45294 D15 -2.29394 0.00039 0.01867 0.00285 0.02158 -2.27236 D16 0.69868 0.00012 0.02701 -0.00209 0.02496 0.72364 D17 -0.26026 0.00030 0.01909 0.01943 0.03852 -0.22174 D18 2.73236 0.00003 0.02744 0.01448 0.04189 2.77425 D19 -3.05875 -0.00057 -0.02087 -0.00732 -0.02817 -3.08692 D20 0.04825 -0.00069 -0.01459 -0.01838 -0.03296 0.01529 D21 0.09779 0.00074 -0.00149 0.02273 0.02125 0.11904 D22 -3.07840 0.00063 0.00478 0.01167 0.01646 -3.06195 D23 3.11138 0.00098 0.01793 0.01831 0.03625 -3.13556 D24 -0.10563 0.00099 0.02664 0.01872 0.04536 -0.06027 D25 -0.04636 -0.00045 -0.00304 -0.01416 -0.01719 -0.06355 D26 3.01982 -0.00043 0.00566 -0.01374 -0.00807 3.01174 D27 3.11873 0.00017 0.00764 -0.00995 -0.00229 3.11644 D28 -0.01778 -0.00070 -0.00206 -0.02478 -0.02684 -0.04463 D29 0.01161 0.00028 0.00138 0.00108 0.00249 0.01410 D30 -3.12490 -0.00058 -0.00832 -0.01375 -0.02207 3.13621 D31 2.87769 0.00033 0.01858 0.01160 0.03018 2.90787 D32 -0.11646 0.00040 0.01001 0.01714 0.02712 -0.08933 D33 -0.25844 -0.00059 0.00813 -0.00436 0.00381 -0.25462 D34 3.03060 -0.00053 -0.00044 0.00118 0.00076 3.03136 D35 -2.82369 0.00010 -0.02328 -0.00605 -0.02933 -2.85302 D36 0.41743 0.00007 -0.02833 -0.00052 -0.02883 0.38860 D37 0.16451 -0.00019 -0.01473 -0.01101 -0.02576 0.13875 D38 -2.87756 -0.00021 -0.01978 -0.00549 -0.02526 -2.90282 D39 -0.07608 0.00019 0.01091 0.00988 0.02079 -0.05529 D40 -3.13940 0.00015 0.00179 0.00946 0.01124 -3.12816 D41 2.96812 0.00048 0.01621 0.00422 0.02044 2.98856 D42 -0.09520 0.00043 0.00708 0.00380 0.01089 -0.08431 D43 -0.49992 -0.00009 0.00881 0.00170 0.01053 -0.48939 D44 -2.53087 0.00013 0.01169 0.00585 0.01754 -2.51334 D45 1.65864 0.00152 0.01739 0.01277 0.03016 1.68880 D46 2.73920 -0.00026 0.00360 0.00712 0.01073 2.74993 D47 0.70824 -0.00004 0.00648 0.01127 0.01774 0.72598 D48 -1.38543 0.00135 0.01218 0.01819 0.03037 -1.35507 D49 -3.08394 -0.00063 -0.00962 -0.00906 -0.01870 -3.10264 D50 1.10641 -0.00035 -0.00657 -0.00517 -0.01177 1.09464 D51 -0.99581 -0.00034 -0.00724 -0.00543 -0.01269 -1.00850 D52 -0.90584 0.00001 -0.00483 -0.00307 -0.00787 -0.91371 D53 -2.99868 0.00029 -0.00178 0.00081 -0.00094 -2.99962 D54 1.18229 0.00031 -0.00245 0.00055 -0.00186 1.18043 D55 1.13124 0.00007 -0.00535 -0.00495 -0.01031 1.12094 D56 -0.96160 0.00035 -0.00230 -0.00107 -0.00338 -0.96498 D57 -3.06382 0.00037 -0.00297 -0.00133 -0.00429 -3.06811 Item Value Threshold Converged? Maximum Force 0.003111 0.000450 NO RMS Force 0.000748 0.000300 NO Maximum Displacement 0.265335 0.001800 NO RMS Displacement 0.048591 0.001200 NO Predicted change in Energy=-1.127429D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.003847 -4.988663 2.108254 2 6 0 7.167165 -5.202805 3.602118 3 8 0 6.956804 -6.196961 1.410901 4 8 0 2.850737 -2.215008 -0.090841 5 6 0 3.676885 -2.859791 0.479655 6 7 0 4.914742 -2.305541 0.783024 7 6 0 5.969044 -2.907766 1.364859 8 16 0 7.378434 -2.017583 1.590938 9 7 0 5.791660 -4.203891 1.748241 10 6 0 4.531798 -4.816916 1.632458 11 6 0 3.528024 -4.199669 1.002871 12 1 0 7.824077 -4.389854 1.762583 13 1 0 8.096560 -5.734082 3.772717 14 1 0 7.221521 -4.244479 4.102569 15 1 0 5.052356 -1.354823 0.509868 16 6 0 4.244184 -6.134783 2.329645 17 1 0 2.562260 -4.656099 0.921852 18 1 0 6.365255 -5.782405 4.035434 19 1 0 7.732875 -6.290204 0.880102 20 1 0 5.133175 -6.722075 2.458885 21 1 0 3.597396 -6.705562 1.674489 22 6 0 3.532475 -5.918392 3.674112 23 1 0 3.376635 -6.873576 4.164551 24 1 0 2.565785 -5.450674 3.530824 25 1 0 4.108307 -5.288397 4.342892 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517946 0.000000 3 O 1.395886 2.415374 0.000000 4 O 5.456877 6.418444 5.913625 0.000000 5 C 4.272366 5.236558 4.770931 1.193203 0.000000 6 N 3.649622 4.627616 4.439301 2.243202 1.389790 7 C 2.439997 3.421699 3.434617 3.510387 2.457617 8 S 3.038955 3.772945 4.204448 4.833983 3.955468 9 N 1.488246 2.515294 2.333171 3.998363 2.808592 10 C 2.523273 3.312647 2.798976 3.544806 2.426967 11 C 3.731720 4.583199 3.989010 2.365122 1.446093 12 H 1.072771 2.115730 2.035062 5.735787 4.602847 13 H 2.126054 1.084036 2.662982 7.404702 6.216054 14 H 2.139740 1.082494 3.335767 6.388051 5.254266 15 H 4.423568 5.370418 5.280633 2.438832 2.039060 16 C 2.996389 3.321383 2.864658 4.813012 3.803927 17 H 4.609322 5.356105 4.682461 2.658513 2.159780 18 H 2.179874 1.080166 2.722125 6.488783 5.330344 19 H 1.932316 2.985270 0.944842 6.433135 5.327208 20 H 2.574310 2.784291 2.167865 5.659000 4.577703 21 H 3.839246 4.326348 3.407900 4.882516 4.027890 22 C 3.920042 3.705161 4.114092 5.324913 4.424980 23 H 4.575797 4.180421 4.567056 6.331444 5.457020 24 H 4.683327 4.608602 4.932755 4.864893 4.154136 25 H 3.669823 3.148441 4.187600 5.539421 4.583541 6 7 8 9 10 6 N 0.000000 7 C 1.346388 0.000000 8 S 2.608720 1.682235 0.000000 9 N 2.303120 1.363227 2.706019 0.000000 10 C 2.678654 2.404608 3.992659 1.405866 0.000000 11 C 2.357761 2.785431 4.464636 2.383200 1.336015 12 H 3.710542 2.407471 2.419862 2.040958 3.322412 13 H 5.551317 4.279271 4.369008 3.428199 4.257867 14 H 4.483312 3.294018 3.360354 2.754816 3.696451 15 H 0.998708 1.995735 2.649264 3.193326 3.676586 16 C 4.183871 3.784124 5.226906 2.541861 1.518409 17 H 3.328448 3.854751 5.532176 3.363991 2.099977 18 H 4.977021 3.943666 4.601736 2.837599 3.173016 19 H 4.881479 3.845384 4.345827 2.979041 3.603264 20 H 4.728846 4.055184 5.284577 2.698122 2.162005 21 H 4.678706 4.488189 6.023320 3.328452 2.107571 22 C 4.829259 4.509256 5.860659 3.428178 2.525915 23 H 5.887905 5.503317 6.798421 4.335678 3.460599 24 H 4.791645 4.768643 6.221805 3.890801 2.805468 25 H 4.713854 4.242455 5.381933 3.277505 2.783539 11 12 13 14 15 11 C 0.000000 12 H 4.366853 0.000000 13 H 5.558596 2.433482 0.000000 14 H 4.822039 2.420691 1.758810 0.000000 15 H 3.264934 4.296876 6.252301 5.095380 0.000000 16 C 2.453138 4.022682 4.133257 3.947283 5.178104 17 H 1.071258 5.335207 6.318066 5.656422 4.155567 18 H 4.444252 3.038620 1.751791 1.761509 5.810061 19 H 4.697466 2.097241 2.967955 3.851074 5.628521 20 H 3.325511 3.628366 3.388795 3.633369 5.710744 21 H 2.595262 4.820280 5.058539 5.008672 5.666010 22 C 3.176407 4.940468 4.568869 4.073649 5.757486 23 H 4.143539 5.631879 4.871310 4.658233 6.827985 24 H 2.980179 5.648155 5.543312 4.843313 5.664381 25 H 3.560589 4.612193 4.053381 3.292358 5.572818 16 17 18 19 20 16 C 0.000000 17 H 2.645233 0.000000 18 H 2.744600 5.042394 0.000000 19 H 3.781044 5.422850 3.476257 0.000000 20 H 1.073275 3.638727 2.210545 3.072053 0.000000 21 H 1.083215 2.416251 3.753309 4.231520 1.724578 22 C 1.536537 3.179566 2.858966 5.058468 2.164468 23 H 2.159938 4.011921 3.184207 5.486779 2.453096 24 H 2.174364 2.727288 3.847162 5.867705 3.058922 25 H 2.188148 3.807043 2.330749 5.111949 2.579781 21 22 23 24 25 21 H 0.000000 22 C 2.149964 0.000000 23 H 2.505468 1.084984 0.000000 24 H 2.466768 1.083412 1.756057 0.000000 25 H 3.064272 1.084316 1.754976 1.750760 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.453493 1.126284 -0.415361 2 6 0 2.429182 1.208171 0.744589 3 8 0 2.054703 0.614747 -1.566611 4 8 0 -3.228341 -1.669300 -0.208838 5 6 0 -2.155666 -1.147627 -0.177864 6 7 0 -2.042530 0.210660 0.093747 7 6 0 -0.923710 0.959510 0.108737 8 16 0 -1.062290 2.604081 0.434462 9 7 0 0.248507 0.303275 -0.122890 10 6 0 0.269526 -1.096203 -0.255099 11 6 0 -0.868822 -1.793033 -0.314494 12 1 0 1.068308 2.110146 -0.601062 13 1 0 3.243699 1.865198 0.461723 14 1 0 1.931458 1.629177 1.608777 15 1 0 -2.895861 0.699014 0.269120 16 6 0 1.580894 -1.859893 -0.203553 17 1 0 -0.859620 -2.860595 -0.402924 18 1 0 2.849033 0.249337 1.011272 19 1 0 2.115956 1.291569 -2.223031 20 1 0 2.406258 -1.261975 -0.539984 21 1 0 1.497178 -2.681413 -0.904588 22 6 0 1.851116 -2.423140 1.200256 23 1 0 2.811294 -2.928168 1.214276 24 1 0 1.089020 -3.138695 1.484815 25 1 0 1.871109 -1.644419 1.954534 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7925257 0.6986599 0.4301951 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.8032389746 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999959 -0.004298 -0.000826 -0.007952 Ang= -1.04 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.079880936 A.U. after 13 cycles NFock= 13 Conv=0.83D-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 -0.002510614 -0.001519199 -0.000168583 2 6 -0.000563953 0.001090739 0.000124750 3 8 0.001927452 -0.000571507 0.003033395 4 8 -0.000268867 -0.000138473 -0.002262058 5 6 -0.001399811 0.001452762 0.004671351 6 7 0.001112753 -0.000522811 -0.001320028 7 6 -0.001056694 -0.000219262 0.000848164 8 16 0.000701461 0.001099115 -0.000405718 9 7 0.000951722 0.000154306 -0.000995024 10 6 -0.000315753 0.000942500 0.002065695 11 6 0.000979325 -0.000480430 -0.001316360 12 1 -0.000016940 -0.001295452 -0.000045375 13 1 0.000219431 0.000012213 0.000024941 14 1 0.000015147 0.000292988 0.000409350 15 1 -0.000095808 -0.000047956 -0.000184443 16 6 0.000037752 -0.000203322 -0.000650556 17 1 0.000141562 -0.000215586 -0.000274710 18 1 0.000264969 -0.000329131 -0.000367756 19 1 0.000485924 0.000657078 -0.002993399 20 1 -0.000086206 -0.000508154 0.000180672 21 1 -0.000173119 0.000223636 -0.000060829 22 6 -0.000289712 0.000078723 -0.000416032 23 1 -0.000010828 0.000023426 -0.000013483 24 1 -0.000103954 0.000056628 0.000296790 25 1 0.000054760 -0.000032833 -0.000180755 ------------------------------------------------------------------- Cartesian Forces: Max 0.004671351 RMS 0.001064392 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002066101 RMS 0.000637832 Search for a local minimum. Step number 15 out of a maximum of 135 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 DE= -1.22D-03 DEPred=-1.13D-03 R= 1.09D+00 TightC=F SS= 1.41D+00 RLast= 5.51D-01 DXNew= 1.1836D+00 1.6540D+00 Trust test= 1.09D+00 RLast= 5.51D-01 DXMaxT set to 1.18D+00 ITU= 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00011 0.00223 0.00248 0.00549 0.01005 Eigenvalues --- 0.01677 0.01827 0.01932 0.02048 0.02188 Eigenvalues --- 0.02333 0.03955 0.04165 0.04347 0.05279 Eigenvalues --- 0.05345 0.05444 0.05541 0.05816 0.06085 Eigenvalues --- 0.06767 0.07817 0.08794 0.09225 0.13189 Eigenvalues --- 0.15177 0.15848 0.15981 0.15986 0.16030 Eigenvalues --- 0.16058 0.16204 0.16359 0.16572 0.18818 Eigenvalues --- 0.21892 0.22916 0.23617 0.24751 0.24802 Eigenvalues --- 0.25119 0.26995 0.27625 0.28734 0.29275 Eigenvalues --- 0.30514 0.32739 0.34089 0.34782 0.34824 Eigenvalues --- 0.34840 0.34842 0.34912 0.34971 0.35711 Eigenvalues --- 0.36750 0.37230 0.40210 0.42229 0.42701 Eigenvalues --- 0.43146 0.44132 0.46531 0.48225 0.50231 Eigenvalues --- 0.56328 0.64828 0.87996 1.33635 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 15 14 13 12 11 10 RFO step: Lambda=-2.02298238D-03. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 6 DidBck=T Rises=F RFO-DIIS coefs: -1.13129 -1.43140 3.00000 -0.70330 1.26599 RFO-DIIS coefs: 0.00000 Iteration 1 RMS(Cart)= 0.03212162 RMS(Int)= 0.01698033 Iteration 2 RMS(Cart)= 0.01544341 RMS(Int)= 0.00084418 Iteration 3 RMS(Cart)= 0.00084957 RMS(Int)= 0.00004180 Iteration 4 RMS(Cart)= 0.00000153 RMS(Int)= 0.00004179 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004179 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86850 0.00003 0.00161 0.00081 0.00242 2.87092 R2 2.63784 -0.00018 0.00963 -0.00726 0.00237 2.64021 R3 2.81238 0.00074 -0.01762 0.00931 -0.00831 2.80407 R4 2.02724 -0.00072 0.00021 -0.00099 -0.00078 2.02646 R5 2.04853 0.00019 0.00360 -0.00200 0.00159 2.05012 R6 2.04562 0.00045 0.00125 -0.00109 0.00016 2.04577 R7 2.04122 -0.00017 0.00057 -0.00088 -0.00031 2.04091 R8 1.78549 0.00202 0.00262 -0.00023 0.00239 1.78788 R9 2.25483 0.00119 0.00037 -0.00020 0.00017 2.25500 R10 2.62632 -0.00016 -0.00011 0.00010 0.00003 2.62635 R11 2.73272 -0.00026 -0.00234 0.00096 -0.00137 2.73135 R12 2.54430 -0.00003 -0.00234 0.00198 -0.00033 2.54397 R13 1.88729 -0.00001 0.00008 -0.00019 -0.00011 1.88718 R14 3.17896 0.00111 0.00100 -0.00104 -0.00004 3.17892 R15 2.57613 0.00122 0.00665 -0.00297 0.00367 2.57980 R16 2.65670 0.00062 0.00075 -0.00058 0.00012 2.65682 R17 2.52470 -0.00001 0.00032 -0.00009 0.00020 2.52491 R18 2.86938 0.00003 0.00071 0.00012 0.00083 2.87021 R19 2.02438 -0.00001 -0.00063 0.00095 0.00032 2.02470 R20 2.02820 0.00023 -0.00205 0.00253 0.00048 2.02868 R21 2.04698 0.00002 0.00064 -0.00103 -0.00039 2.04659 R22 2.90363 -0.00009 -0.00077 0.00079 0.00001 2.90365 R23 2.05032 -0.00003 0.00026 -0.00030 -0.00004 2.05028 R24 2.04735 0.00008 -0.00016 0.00023 0.00007 2.04742 R25 2.04906 -0.00010 0.00178 -0.00252 -0.00074 2.04832 A1 1.95321 0.00021 0.02860 -0.01815 0.01046 1.96367 A2 1.98241 -0.00100 -0.00753 0.01252 0.00493 1.98734 A3 1.88977 0.00040 0.00513 -0.00760 -0.00247 1.88730 A4 1.88404 0.00173 -0.02233 0.01509 -0.00724 1.87680 A5 1.92620 -0.00109 -0.01542 0.00835 -0.00702 1.91918 A6 1.82397 -0.00034 0.00946 -0.00928 0.00022 1.82419 A7 1.89258 -0.00007 0.00523 -0.00293 0.00230 1.89488 A8 1.91292 0.00046 -0.00011 0.00200 0.00189 1.91482 A9 1.97210 -0.00041 0.00265 -0.00298 -0.00031 1.97178 A10 1.89449 -0.00014 -0.00788 0.00226 -0.00562 1.88887 A11 1.88639 0.00004 -0.00260 0.00083 -0.00176 1.88463 A12 1.90377 0.00011 0.00215 0.00098 0.00314 1.90691 A13 1.91601 0.00043 -0.01668 0.01227 -0.00441 1.91160 A14 2.10082 0.00039 0.00062 0.00005 0.00056 2.10138 A15 2.21731 0.00009 0.00209 -0.00075 0.00123 2.21854 A16 1.96299 -0.00038 -0.00028 -0.00087 -0.00105 1.96194 A17 2.23116 0.00020 0.00201 0.00017 0.00238 2.23354 A18 2.02936 -0.00024 -0.00044 -0.00080 -0.00126 2.02811 A19 2.02205 0.00004 -0.00113 0.00035 -0.00081 2.02124 A20 2.06854 -0.00137 -0.00284 -0.00014 -0.00305 2.06549 A21 2.03187 0.00038 -0.00004 -0.00029 -0.00024 2.03164 A22 2.18260 0.00100 0.00314 0.00017 0.00325 2.18585 A23 2.05263 -0.00050 -0.00836 0.00675 -0.00160 2.05103 A24 2.11754 0.00132 0.01168 -0.00744 0.00424 2.12178 A25 2.10369 -0.00083 -0.00217 0.00039 -0.00173 2.10196 A26 2.10673 -0.00014 -0.00125 0.00227 0.00111 2.10784 A27 2.10643 0.00207 0.00622 -0.00115 0.00513 2.11156 A28 2.06582 -0.00189 -0.00456 -0.00058 -0.00507 2.06075 A29 2.11909 0.00080 0.00297 -0.00155 0.00152 2.12061 A30 2.04903 -0.00032 -0.00066 0.00153 0.00086 2.04989 A31 2.11312 -0.00048 -0.00227 0.00035 -0.00194 2.11118 A32 1.95338 0.00059 0.00056 -0.00059 0.00002 1.95340 A33 1.86788 -0.00012 0.00265 -0.00599 -0.00334 1.86454 A34 1.94687 -0.00044 -0.00410 0.00668 0.00260 1.94947 A35 1.85363 -0.00003 0.00223 -0.00163 0.00059 1.85421 A36 1.93409 -0.00006 -0.00787 0.01110 0.00324 1.93733 A37 1.90377 0.00008 0.00749 -0.01110 -0.00364 1.90014 A38 1.91566 -0.00002 -0.00016 -0.00011 -0.00026 1.91539 A39 1.93731 0.00050 0.00477 -0.00494 -0.00017 1.93714 A40 1.95576 -0.00033 -0.00550 0.00745 0.00195 1.95771 A41 1.88776 -0.00016 0.00044 -0.00105 -0.00061 1.88715 A42 1.88492 0.00010 0.00017 -0.00045 -0.00028 1.88464 A43 1.88030 -0.00009 0.00035 -0.00107 -0.00072 1.87958 D1 1.05419 -0.00086 -0.03055 0.04623 0.01566 1.06985 D2 3.11953 -0.00080 -0.03707 0.04839 0.01131 3.13083 D3 -1.03659 -0.00061 -0.03253 0.04905 0.01650 -1.02009 D4 -3.09013 0.00084 -0.04369 0.06166 0.01796 -3.07218 D5 -1.02480 0.00090 -0.05021 0.06381 0.01361 -1.01119 D6 1.10227 0.00110 -0.04567 0.06448 0.01880 1.12107 D7 -1.07263 0.00010 -0.03308 0.05253 0.01947 -1.05317 D8 0.99270 0.00016 -0.03960 0.05469 0.01512 1.00782 D9 3.11977 0.00035 -0.03506 0.05535 0.02031 3.14008 D10 -1.95138 -0.00124 0.58115 -0.27330 0.30789 -1.64350 D11 2.13787 -0.00136 0.58757 -0.28780 0.29967 2.43754 D12 0.15440 -0.00134 0.59617 -0.28937 0.30688 0.46128 D13 1.83425 -0.00034 -0.00654 0.01753 0.01099 1.84525 D14 -1.45294 -0.00043 0.00275 0.01532 0.01809 -1.43485 D15 -2.27236 0.00054 0.00837 0.01414 0.02249 -2.24987 D16 0.72364 0.00045 0.01766 0.01194 0.02958 0.75322 D17 -0.22174 -0.00009 -0.01477 0.02603 0.01127 -0.21048 D18 2.77425 -0.00018 -0.00547 0.02383 0.01836 2.79261 D19 -3.08692 0.00082 0.00072 -0.00718 -0.00641 -3.09333 D20 0.01529 0.00090 0.02164 -0.01602 0.00567 0.02095 D21 0.11904 -0.00080 -0.03649 0.01727 -0.01923 0.09981 D22 -3.06195 -0.00072 -0.01556 0.00843 -0.00715 -3.06909 D23 -3.13556 -0.00100 -0.01781 0.01569 -0.00208 -3.13764 D24 -0.06027 -0.00089 -0.01547 0.02135 0.00591 -0.05436 D25 -0.06355 0.00076 0.02243 -0.01071 0.01175 -0.05180 D26 3.01174 0.00087 0.02476 -0.00505 0.01973 3.03148 D27 3.11644 0.00007 0.02228 -0.00779 0.01452 3.13096 D28 -0.04463 0.00049 0.03443 -0.02155 0.01287 -0.03175 D29 0.01410 -0.00000 0.00142 0.00104 0.00249 0.01658 D30 3.13621 0.00042 0.01356 -0.01272 0.00084 3.13705 D31 2.90787 0.00000 -0.00622 0.01554 0.00939 2.91726 D32 -0.08933 -0.00010 -0.01657 0.01842 0.00185 -0.08748 D33 -0.25462 0.00043 0.00670 0.00077 0.00753 -0.24709 D34 3.03136 0.00033 -0.00364 0.00365 -0.00000 3.03135 D35 -2.85302 0.00016 -0.00302 -0.01219 -0.01520 -2.86822 D36 0.38860 -0.00024 -0.01151 -0.01852 -0.02991 0.35869 D37 0.13875 0.00010 0.00612 -0.01396 -0.00787 0.13088 D38 -2.90282 -0.00030 -0.00237 -0.02029 -0.02258 -2.92540 D39 -0.05529 -0.00053 -0.00992 0.01016 0.00026 -0.05503 D40 -3.12816 -0.00064 -0.01237 0.00426 -0.00812 -3.13627 D41 2.98856 0.00008 -0.00130 0.01631 0.01511 3.00367 D42 -0.08431 -0.00003 -0.00375 0.01041 0.00674 -0.07757 D43 -0.48939 0.00028 0.00377 0.01395 0.01772 -0.47167 D44 -2.51334 0.00008 -0.00083 0.01981 0.01899 -2.49434 D45 1.68880 0.00031 -0.00924 0.03325 0.02402 1.71282 D46 2.74993 -0.00020 -0.00452 0.00760 0.00307 2.75300 D47 0.72598 -0.00041 -0.00911 0.01346 0.00434 0.73033 D48 -1.35507 -0.00018 -0.01752 0.02690 0.00937 -1.34570 D49 -3.10264 -0.00019 0.00773 -0.01318 -0.00543 -3.10807 D50 1.09464 -0.00029 0.00428 -0.00869 -0.00439 1.09024 D51 -1.00850 -0.00029 0.00428 -0.00898 -0.00469 -1.01319 D52 -0.91371 0.00020 -0.00038 -0.00059 -0.00099 -0.91470 D53 -2.99962 0.00010 -0.00383 0.00390 0.00005 -2.99957 D54 1.18043 0.00010 -0.00383 0.00361 -0.00025 1.18018 D55 1.12094 0.00017 0.00222 -0.00281 -0.00058 1.12035 D56 -0.96498 0.00007 -0.00123 0.00168 0.00045 -0.96453 D57 -3.06811 0.00007 -0.00123 0.00139 0.00015 -3.06796 Item Value Threshold Converged? Maximum Force 0.002066 0.000450 NO RMS Force 0.000638 0.000300 NO Maximum Displacement 0.348243 0.001800 NO RMS Displacement 0.044590 0.001200 NO Predicted change in Energy=-1.241390D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.001452 -4.979265 2.094268 2 6 0 7.171298 -5.199621 3.587803 3 8 0 6.955064 -6.178265 1.378554 4 8 0 2.829835 -2.193357 -0.057876 5 6 0 3.661318 -2.841797 0.500795 6 7 0 4.911764 -2.299120 0.771793 7 6 0 5.970947 -2.903279 1.342238 8 16 0 7.384930 -2.014355 1.543012 9 7 0 5.791776 -4.197969 1.736406 10 6 0 4.526651 -4.803457 1.639038 11 6 0 3.516119 -4.180605 1.025765 12 1 0 7.820716 -4.378977 1.750159 13 1 0 8.111390 -5.714178 3.756386 14 1 0 7.212425 -4.244346 4.095473 15 1 0 5.051374 -1.351111 0.490557 16 6 0 4.240254 -6.130196 2.320688 17 1 0 2.549470 -4.637110 0.954035 18 1 0 6.381864 -5.797988 4.018099 19 1 0 7.821330 -6.392737 1.064384 20 1 0 5.129361 -6.720018 2.439282 21 1 0 3.591805 -6.689735 1.657864 22 6 0 3.525557 -5.934621 3.666767 23 1 0 3.367126 -6.897539 4.140935 24 1 0 2.559513 -5.463982 3.528480 25 1 0 4.098663 -5.316374 4.348097 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519228 0.000000 3 O 1.397139 2.425960 0.000000 4 O 5.458516 6.416923 5.912727 0.000000 5 C 4.273690 5.235353 4.769827 1.193294 0.000000 6 N 3.646768 4.631233 4.426173 2.243649 1.389803 7 C 2.436639 3.428789 3.419845 3.511537 2.458901 8 S 3.040005 3.791138 4.189269 4.831540 3.954259 9 N 1.483849 2.516756 2.324408 4.001376 2.811546 10 C 2.522456 3.308895 2.802702 3.545607 2.427450 11 C 3.731903 4.578511 3.992674 2.365252 1.445366 12 H 1.072357 2.114743 2.030981 5.740628 4.606997 13 H 2.129482 1.084878 2.684502 7.405376 6.217121 14 H 2.142298 1.082577 3.344836 6.376830 5.243970 15 H 4.420204 5.375690 5.264408 2.438318 2.038260 16 C 3.000021 3.326044 2.874042 4.810982 3.802729 17 H 4.608400 5.349247 4.686645 2.659793 2.159811 18 H 2.180671 1.080002 2.727703 6.497988 5.339651 19 H 1.931518 2.865957 0.946107 6.618858 5.498410 20 H 2.579531 2.792887 2.179870 5.658116 4.577497 21 H 3.839512 4.331036 3.413375 4.872554 4.018740 22 C 3.932850 3.719931 4.129988 5.324852 4.428021 23 H 4.590964 4.202452 4.584910 6.328350 5.457675 24 H 4.692839 4.619737 4.945022 4.861277 4.154119 25 H 3.690471 3.167454 4.209521 5.547590 4.595274 6 7 8 9 10 6 N 0.000000 7 C 1.346212 0.000000 8 S 2.606228 1.682214 0.000000 9 N 2.304458 1.365171 2.709928 0.000000 10 C 2.678084 2.405153 3.994756 1.405929 0.000000 11 C 2.356334 2.785300 4.464065 2.384098 1.336123 12 H 3.707426 2.401193 2.413349 2.037045 3.323160 13 H 5.550498 4.279107 4.372123 3.429259 4.261798 14 H 4.485956 3.304547 3.393770 2.754195 3.682399 15 H 0.998652 1.995044 2.644436 3.194516 3.676009 16 C 4.186544 3.790206 5.237740 2.545999 1.518850 17 H 3.328640 3.855305 5.532397 3.364149 2.099082 18 H 4.994175 3.963386 4.631207 2.848577 3.176608 19 H 5.030794 3.959474 4.426031 3.063938 3.702830 20 H 4.729927 4.059466 5.294729 2.700659 2.162603 21 H 4.669573 4.482989 6.021642 3.324897 2.105311 22 C 4.849671 4.535681 5.896913 3.446447 2.528518 23 H 5.906139 5.528716 6.836478 4.352972 3.462537 24 H 4.811316 4.793197 6.255131 3.906640 2.806406 25 H 4.749201 4.285285 5.437958 3.307324 2.790207 11 12 13 14 15 11 C 0.000000 12 H 4.369628 0.000000 13 H 5.560993 2.427386 0.000000 14 H 4.805189 2.426652 1.755997 0.000000 15 H 3.263356 4.292298 6.250255 5.102585 0.000000 16 C 2.449919 4.026410 4.149698 3.942093 5.181405 17 H 1.071426 5.337273 6.320459 5.636137 4.155975 18 H 4.447751 3.037670 1.751221 1.763413 5.829964 19 H 4.840440 2.127326 2.791317 3.764818 5.780997 20 H 3.324033 3.633009 3.411594 3.634705 5.712160 21 H 2.588631 4.819939 5.077613 5.003075 5.656311 22 C 3.170418 4.953968 4.592003 4.078457 5.781435 23 H 4.136207 5.647427 4.904718 4.672026 6.850169 24 H 2.970813 5.658614 5.562182 4.843406 5.688062 25 H 3.559103 4.634833 4.075579 3.302814 5.613518 16 17 18 19 20 16 C 0.000000 17 H 2.637384 0.000000 18 H 2.752828 5.042159 0.000000 19 H 3.804121 5.557600 3.339194 0.000000 20 H 1.073529 3.633221 2.216206 3.040421 0.000000 21 H 1.083008 2.407303 3.761696 4.281275 1.724995 22 C 1.536545 3.161517 2.881075 5.043405 2.166969 23 H 2.159737 3.991795 3.211347 5.436904 2.456137 24 H 2.174280 2.703994 3.868030 5.883967 3.060734 25 H 2.189233 3.792236 2.356663 5.079329 2.583821 21 22 23 24 25 21 H 0.000000 22 C 2.147156 0.000000 23 H 2.501860 1.084964 0.000000 24 H 2.463189 1.083451 1.755683 0.000000 25 H 3.062741 1.083923 1.754464 1.750012 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.435706 1.151836 -0.396334 2 6 0 2.411172 1.235411 0.765360 3 8 0 2.033085 0.667066 -1.562582 4 8 0 -3.202078 -1.720109 -0.200673 5 6 0 -2.137828 -1.181225 -0.170262 6 7 0 -2.046873 0.182171 0.083572 7 6 0 -0.940721 0.949215 0.102413 8 16 0 -1.112855 2.591198 0.425067 9 7 0 0.244899 0.310412 -0.121035 10 6 0 0.286535 -1.088913 -0.250623 11 6 0 -0.840707 -1.804016 -0.306986 12 1 0 1.037775 2.132502 -0.569236 13 1 0 3.207230 1.922755 0.499256 14 1 0 1.905379 1.625263 1.639523 15 1 0 -2.908685 0.657783 0.252030 16 6 0 1.607420 -1.838054 -0.219711 17 1 0 -0.812520 -2.870950 -0.400854 18 1 0 2.859886 0.283563 1.008349 19 1 0 2.323014 1.393513 -2.094874 20 1 0 2.423296 -1.225901 -0.554493 21 1 0 1.524759 -2.648971 -0.932794 22 6 0 1.894534 -2.426122 1.170509 23 1 0 2.858551 -2.923914 1.165946 24 1 0 1.140857 -3.153563 1.447397 25 1 0 1.915232 -1.663770 1.940756 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7902376 0.6994061 0.4284021 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.1998357475 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999967 -0.002604 0.000769 -0.007622 Ang= -0.93 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.078985578 A.U. after 14 cycles NFock= 14 Conv=0.38D-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 -0.000670989 -0.000485235 0.000150527 2 6 -0.000711235 0.001159100 0.000060648 3 8 0.000086662 -0.000919193 0.001162973 4 8 -0.000275331 -0.000026692 -0.001545229 5 6 -0.000576578 0.000802354 0.003092434 6 7 0.000592411 -0.000354110 -0.000732996 7 6 -0.000806213 -0.000282888 0.000632591 8 16 0.000633412 0.000712114 -0.000209503 9 7 0.000559007 -0.000292521 -0.000319786 10 6 -0.000317458 0.000377979 0.000977976 11 6 0.000514685 -0.000339529 -0.000822053 12 1 0.000040837 -0.000775916 -0.000262916 13 1 0.000085053 -0.000036038 -0.000126547 14 1 -0.000088643 0.000287628 0.000458600 15 1 -0.000019619 0.000011370 -0.000115949 16 6 0.000138942 -0.000057975 -0.000452735 17 1 0.000200680 0.000025844 -0.000141078 18 1 -0.000078705 -0.000214912 -0.000101443 19 1 0.000540217 0.000581539 -0.001608519 20 1 -0.000055703 -0.000293898 0.000332654 21 1 0.000023636 -0.000017388 -0.000230474 22 6 -0.000186429 -0.000021257 -0.000380432 23 1 0.000000856 -0.000013600 -0.000015421 24 1 -0.000054323 0.000023525 0.000243082 25 1 0.000424827 0.000149699 -0.000046402 ------------------------------------------------------------------- Cartesian Forces: Max 0.003092434 RMS 0.000620808 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001538736 RMS 0.000382243 Search for a local minimum. Step number 16 out of a maximum of 135 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= 8.95D-04 DEPred=-1.24D-03 R=-7.21D-01 Trust test=-7.21D-01 RLast= 5.38D-01 DXMaxT set to 5.92D-01 ITU= -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- -0.00196 0.00006 0.00232 0.00553 0.00947 Eigenvalues --- 0.01486 0.01689 0.01927 0.02027 0.02106 Eigenvalues --- 0.02150 0.02309 0.03785 0.04030 0.04326 Eigenvalues --- 0.05302 0.05337 0.05441 0.05556 0.05801 Eigenvalues --- 0.06174 0.06452 0.08545 0.09262 0.12932 Eigenvalues --- 0.14286 0.15109 0.15823 0.15977 0.15995 Eigenvalues --- 0.16018 0.16078 0.16181 0.16270 0.16870 Eigenvalues --- 0.21889 0.22886 0.23551 0.24462 0.24819 Eigenvalues --- 0.24953 0.26999 0.27284 0.28540 0.28897 Eigenvalues --- 0.30279 0.31298 0.33187 0.34767 0.34820 Eigenvalues --- 0.34823 0.34837 0.34878 0.34905 0.35273 Eigenvalues --- 0.35851 0.36277 0.39218 0.42089 0.42642 Eigenvalues --- 0.42947 0.43476 0.45692 0.48050 0.49859 Eigenvalues --- 0.56292 0.62310 0.87509 1.23005 Eigenvalue 2 is 5.78D-05 Eigenvector: D3 D1 D9 D2 D7 1 -0.32083 -0.30463 -0.29075 -0.28829 -0.27454 D6 D8 D4 D5 D11 1 -0.26245 -0.25820 -0.24624 -0.22991 -0.18251 Use linear search instead of GDIIS. RFO step: Lambda=-3.06741275D-03 EMin=-1.95824780D-03 Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.06740800 RMS(Int)= 0.05151482 Iteration 2 RMS(Cart)= 0.02868452 RMS(Int)= 0.02066813 Iteration 3 RMS(Cart)= 0.01921843 RMS(Int)= 0.00136329 Iteration 4 RMS(Cart)= 0.00126976 RMS(Int)= 0.00049030 Iteration 5 RMS(Cart)= 0.00000327 RMS(Int)= 0.00049029 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00049029 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87092 0.00002 0.00000 -0.01462 -0.01462 2.85631 R2 2.64021 0.00050 0.00000 -0.00099 -0.00099 2.63922 R3 2.80407 -0.00050 0.00000 -0.00409 -0.00409 2.79998 R4 2.02646 -0.00032 0.00000 0.00097 0.00097 2.02743 R5 2.05012 0.00007 0.00000 0.00127 0.00127 2.05140 R6 2.04577 0.00047 0.00000 0.00406 0.00406 2.04983 R7 2.04091 0.00014 0.00000 0.00012 0.00012 2.04103 R8 1.78788 0.00090 0.00000 0.00920 0.00920 1.79709 R9 2.25500 0.00090 0.00000 0.00359 0.00359 2.25859 R10 2.62635 -0.00004 0.00000 0.00032 0.00047 2.62682 R11 2.73135 -0.00007 0.00000 -0.00254 -0.00237 2.72898 R12 2.54397 -0.00009 0.00000 -0.00075 -0.00076 2.54321 R13 1.88718 0.00004 0.00000 0.00252 0.00252 1.88970 R14 3.17892 0.00088 0.00000 0.01392 0.01392 3.19284 R15 2.57980 0.00045 0.00000 0.00322 0.00304 2.58284 R16 2.65682 -0.00022 0.00000 -0.00248 -0.00263 2.65419 R17 2.52491 -0.00007 0.00000 0.00193 0.00195 2.52685 R18 2.87021 -0.00010 0.00000 0.00229 0.00229 2.87250 R19 2.02470 -0.00018 0.00000 -0.00333 -0.00333 2.02137 R20 2.02868 0.00015 0.00000 -0.00653 -0.00653 2.02214 R21 2.04659 0.00014 0.00000 0.00351 0.00351 2.05010 R22 2.90365 -0.00024 0.00000 -0.00550 -0.00550 2.89815 R23 2.05028 0.00001 0.00000 0.00088 0.00088 2.05117 R24 2.04742 0.00003 0.00000 0.00044 0.00044 2.04787 R25 2.04832 0.00028 0.00000 0.00501 0.00501 2.05333 A1 1.96367 0.00093 0.00000 0.00357 0.00356 1.96723 A2 1.98734 -0.00154 0.00000 -0.02719 -0.02715 1.96019 A3 1.88730 0.00044 0.00000 0.00799 0.00805 1.89535 A4 1.87680 0.00069 0.00000 0.00947 0.00941 1.88621 A5 1.91918 -0.00080 0.00000 -0.00445 -0.00452 1.91466 A6 1.82419 0.00020 0.00000 0.01122 0.01125 1.83544 A7 1.89488 -0.00023 0.00000 -0.01514 -0.01516 1.87972 A8 1.91482 0.00048 0.00000 0.00190 0.00185 1.91667 A9 1.97178 -0.00027 0.00000 0.00692 0.00687 1.97865 A10 1.88887 -0.00002 0.00000 0.00253 0.00252 1.89138 A11 1.88463 0.00012 0.00000 -0.00738 -0.00739 1.87724 A12 1.90691 -0.00007 0.00000 0.01071 0.01063 1.91754 A13 1.91160 0.00001 0.00000 -0.01721 -0.01721 1.89440 A14 2.10138 0.00018 0.00000 0.00210 -0.00116 2.10022 A15 2.21854 0.00001 0.00000 0.00417 0.00089 2.21943 A16 1.96194 -0.00014 0.00000 0.00066 -0.00183 1.96011 A17 2.23354 0.00003 0.00000 0.00204 0.00230 2.23584 A18 2.02811 -0.00007 0.00000 0.00041 0.00023 2.02833 A19 2.02124 0.00004 0.00000 -0.00210 -0.00228 2.01896 A20 2.06549 -0.00062 0.00000 -0.00228 -0.00292 2.06256 A21 2.03164 0.00003 0.00000 0.00118 0.00047 2.03211 A22 2.18585 0.00059 0.00000 0.00241 0.00176 2.18761 A23 2.05103 0.00017 0.00000 -0.01308 -0.01314 2.03789 A24 2.12178 -0.00007 0.00000 0.01677 0.01677 2.13854 A25 2.10196 -0.00009 0.00000 -0.00029 -0.00057 2.10139 A26 2.10784 -0.00010 0.00000 -0.00155 -0.00173 2.10611 A27 2.11156 0.00021 0.00000 0.00692 0.00669 2.11825 A28 2.06075 -0.00009 0.00000 -0.00257 -0.00281 2.05794 A29 2.12061 0.00029 0.00000 0.00377 0.00408 2.12469 A30 2.04989 -0.00017 0.00000 -0.00122 -0.00144 2.04845 A31 2.11118 -0.00012 0.00000 -0.00169 -0.00190 2.10928 A32 1.95340 0.00055 0.00000 0.00323 0.00301 1.95641 A33 1.86454 -0.00005 0.00000 0.01139 0.01140 1.87593 A34 1.94947 -0.00053 0.00000 -0.01080 -0.01088 1.93858 A35 1.85421 -0.00008 0.00000 0.00059 0.00063 1.85484 A36 1.93733 -0.00032 0.00000 -0.01558 -0.01563 1.92170 A37 1.90014 0.00047 0.00000 0.01343 0.01350 1.91363 A38 1.91539 -0.00000 0.00000 -0.00478 -0.00479 1.91060 A39 1.93714 0.00048 0.00000 0.00164 0.00164 1.93878 A40 1.95771 -0.00059 0.00000 -0.00668 -0.00669 1.95102 A41 1.88715 -0.00013 0.00000 0.00275 0.00276 1.88991 A42 1.88464 0.00019 0.00000 0.00265 0.00262 1.88726 A43 1.87958 0.00006 0.00000 0.00492 0.00493 1.88451 D1 1.06985 -0.00023 0.00000 0.10536 0.10534 1.17519 D2 3.13083 -0.00012 0.00000 0.10064 0.10061 -3.05174 D3 -1.02009 -0.00004 0.00000 0.12057 0.12057 -0.89952 D4 -3.07218 0.00023 0.00000 0.09978 0.09981 -2.97237 D5 -1.01119 0.00035 0.00000 0.09506 0.09507 -0.91612 D6 1.12107 0.00042 0.00000 0.11500 0.11504 1.23611 D7 -1.05317 -0.00012 0.00000 0.10316 0.10315 -0.95002 D8 1.00782 -0.00001 0.00000 0.09844 0.09842 1.10624 D9 3.14008 0.00006 0.00000 0.11837 0.11838 -3.02473 D10 -1.64350 -0.00135 0.00000 -0.53932 -0.53934 -2.18284 D11 2.43754 -0.00053 0.00000 -0.51389 -0.51388 1.92366 D12 0.46128 -0.00073 0.00000 -0.52988 -0.52987 -0.06859 D13 1.84525 -0.00042 0.00000 0.01339 0.01338 1.85863 D14 -1.43485 -0.00034 0.00000 0.04112 0.04110 -1.39375 D15 -2.24987 0.00024 0.00000 0.00622 0.00619 -2.24368 D16 0.75322 0.00031 0.00000 0.03395 0.03390 0.78713 D17 -0.21048 -0.00026 0.00000 0.01085 0.01091 -0.19957 D18 2.79261 -0.00019 0.00000 0.03858 0.03862 2.83124 D19 -3.09333 0.00053 0.00000 0.04361 0.04350 -3.04983 D20 0.02095 0.00057 0.00000 0.05936 0.05924 0.08019 D21 0.09981 -0.00049 0.00000 -0.09082 -0.09065 0.00915 D22 -3.06909 -0.00046 0.00000 -0.07507 -0.07491 3.13918 D23 -3.13764 -0.00068 0.00000 -0.07547 -0.07543 3.07012 D24 -0.05436 -0.00060 0.00000 -0.05878 -0.05879 -0.11315 D25 -0.05180 0.00044 0.00000 0.06986 0.06982 0.01801 D26 3.03148 0.00052 0.00000 0.08655 0.08645 3.11793 D27 3.13096 0.00005 0.00000 -0.00043 -0.00043 3.13053 D28 -0.03175 0.00028 0.00000 0.06410 0.06406 0.03231 D29 0.01658 0.00002 0.00000 -0.01617 -0.01613 0.00045 D30 3.13705 0.00025 0.00000 0.04837 0.04836 -3.09777 D31 2.91726 0.00006 0.00000 0.01701 0.01673 2.93399 D32 -0.08748 -0.00001 0.00000 -0.01183 -0.01184 -0.09932 D33 -0.24709 0.00029 0.00000 0.08649 0.08636 -0.16073 D34 3.03135 0.00022 0.00000 0.05765 0.05779 3.08914 D35 -2.86822 -0.00011 0.00000 -0.02919 -0.02937 -2.89760 D36 0.35869 -0.00035 0.00000 -0.06826 -0.06850 0.29019 D37 0.13088 -0.00001 0.00000 -0.00160 -0.00159 0.12929 D38 -2.92540 -0.00026 0.00000 -0.04067 -0.04071 -2.96611 D39 -0.05503 -0.00024 0.00000 -0.03063 -0.03067 -0.08570 D40 -3.13627 -0.00032 0.00000 -0.04793 -0.04791 3.09901 D41 3.00367 0.00001 0.00000 0.00779 0.00758 3.01126 D42 -0.07757 -0.00006 0.00000 -0.00951 -0.00965 -0.08722 D43 -0.47167 0.00019 0.00000 -0.00060 -0.00055 -0.47222 D44 -2.49434 0.00002 0.00000 -0.00979 -0.00980 -2.50414 D45 1.71282 -0.00022 0.00000 -0.02710 -0.02709 1.68573 D46 2.75300 -0.00005 0.00000 -0.03868 -0.03867 2.71434 D47 0.73033 -0.00021 0.00000 -0.04787 -0.04791 0.68241 D48 -1.34570 -0.00046 0.00000 -0.06518 -0.06520 -1.41090 D49 -3.10807 0.00003 0.00000 0.00497 0.00490 -3.10317 D50 1.09024 -0.00012 0.00000 0.00359 0.00353 1.09377 D51 -1.01319 -0.00012 0.00000 0.00073 0.00067 -1.01252 D52 -0.91470 0.00010 0.00000 -0.01089 -0.01082 -0.92552 D53 -2.99957 -0.00004 0.00000 -0.01227 -0.01219 -3.01177 D54 1.18018 -0.00004 0.00000 -0.01513 -0.01505 1.16513 D55 1.12035 0.00011 0.00000 -0.01106 -0.01108 1.10927 D56 -0.96453 -0.00003 0.00000 -0.01244 -0.01245 -0.97698 D57 -3.06796 -0.00004 0.00000 -0.01530 -0.01531 -3.08326 Item Value Threshold Converged? Maximum Force 0.001539 0.000450 NO RMS Force 0.000382 0.000300 NO Maximum Displacement 0.508469 0.001800 NO RMS Displacement 0.092381 0.001200 NO Predicted change in Energy=-2.915591D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.001803 -4.987481 2.137921 2 6 0 7.099283 -5.178479 3.634125 3 8 0 6.990248 -6.196864 1.439499 4 8 0 2.867655 -2.190728 -0.079456 5 6 0 3.670301 -2.822813 0.540804 6 7 0 4.948206 -2.318851 0.753458 7 6 0 5.995187 -2.929726 1.338148 8 16 0 7.451916 -2.081431 1.452243 9 7 0 5.797042 -4.219010 1.746275 10 6 0 4.523081 -4.804060 1.659861 11 6 0 3.520519 -4.167674 1.045160 12 1 0 7.832689 -4.390855 1.814328 13 1 0 8.079900 -5.590494 3.851058 14 1 0 7.013315 -4.219464 4.133648 15 1 0 5.117151 -1.389880 0.424153 16 6 0 4.222793 -6.145496 2.308673 17 1 0 2.559718 -4.626738 0.943676 18 1 0 6.363422 -5.864392 4.027285 19 1 0 7.689622 -6.180735 0.795314 20 1 0 5.097515 -6.755860 2.394525 21 1 0 3.542610 -6.679423 1.653535 22 6 0 3.572865 -5.959058 3.685217 23 1 0 3.405591 -6.929945 4.140803 24 1 0 2.617689 -5.454296 3.600204 25 1 0 4.201877 -5.376247 4.352542 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.511493 0.000000 3 O 1.396616 2.421855 0.000000 4 O 5.461663 6.373697 5.945765 0.000000 5 C 4.281994 5.184180 4.818083 1.195196 0.000000 6 N 3.640822 4.593784 4.436167 2.244739 1.390051 7 C 2.426369 3.398151 3.416813 3.512432 2.460139 8 S 3.019583 3.804822 4.141266 4.834614 3.959922 9 N 1.481683 2.486040 2.330185 4.003564 2.815236 10 C 2.531057 3.267220 2.841721 3.548966 2.429992 11 C 3.739726 4.531228 4.038829 2.366285 1.444112 12 H 1.072868 2.114214 2.027775 5.751394 4.626672 13 H 2.112050 1.085553 2.714892 7.360356 6.169473 14 H 2.138436 1.084723 3.342018 6.249201 5.102441 15 H 4.408134 5.346611 5.257995 2.440330 2.039676 16 C 3.015469 3.311516 2.901192 4.814535 3.804054 17 H 4.613944 5.305713 4.726599 2.660032 2.156350 18 H 2.178578 1.080066 2.683298 6.525452 5.353471 19 H 1.923420 3.067877 0.950977 6.319553 5.243602 20 H 2.611384 2.834045 2.192485 5.650955 4.576252 21 H 3.881149 4.338836 3.487820 4.858725 4.015958 22 C 3.885319 3.612137 4.096133 5.373118 4.442168 23 H 4.551642 4.119189 4.547991 6.368685 5.467961 24 H 4.645067 4.490202 4.933490 4.924759 4.170446 25 H 3.590999 2.991688 4.115124 5.618744 4.618651 6 7 8 9 10 6 N 0.000000 7 C 1.345809 0.000000 8 S 2.610217 1.689580 0.000000 9 N 2.305821 1.366778 2.719248 0.000000 10 C 2.679283 2.404937 4.004234 1.404537 0.000000 11 C 2.354045 2.782506 4.469230 2.382594 1.337152 12 H 3.706601 2.395425 2.368445 2.044021 3.338877 13 H 5.486919 4.211939 4.296766 3.394484 4.250974 14 H 4.393483 3.242658 3.457382 2.679342 3.558461 15 H 0.999985 1.994357 2.643169 3.195971 3.679200 16 C 4.193820 3.797957 5.260925 2.550666 1.520059 17 H 3.326771 3.852001 5.538125 3.360160 2.097417 18 H 5.029080 3.997414 4.703877 2.868986 3.180543 19 H 4.736166 3.706054 4.158408 2.886963 3.559446 20 H 4.733122 4.069527 5.318025 2.710198 2.163153 21 H 4.669093 4.491640 6.038603 3.338367 2.116212 22 C 4.872153 4.533567 5.921925 3.425525 2.517737 23 H 5.925872 5.528348 6.863614 4.336124 3.453006 24 H 4.833868 4.785169 6.273731 3.882173 2.796115 25 H 4.781012 4.276446 5.461712 3.267472 2.771480 11 12 13 14 15 11 C 0.000000 12 H 4.385914 0.000000 13 H 5.539444 2.376661 0.000000 14 H 4.662732 2.465765 1.759882 0.000000 15 H 3.263590 4.279321 6.177921 5.036103 0.000000 16 C 2.449783 4.044069 4.190972 3.850604 5.192992 17 H 1.069662 5.349570 6.313010 5.493298 4.157838 18 H 4.455786 3.037637 1.747104 1.771854 5.878521 19 H 4.636406 2.064589 3.136602 3.930452 5.450473 20 H 3.317592 3.662110 3.517695 3.623278 5.716336 21 H 2.584471 4.864995 5.157700 4.924242 5.654186 22 C 3.190877 4.909744 4.525119 3.881234 5.822091 23 H 4.150465 5.608802 4.871061 4.512475 6.887325 24 H 2.999791 5.613954 5.469664 4.596836 5.731848 25 H 3.586596 4.538317 3.916178 3.047991 5.671074 16 17 18 19 20 16 C 0.000000 17 H 2.633564 0.000000 18 H 2.759518 5.050604 0.000000 19 H 3.782909 5.362167 3.507779 0.000000 20 H 1.070072 3.616426 2.250142 3.099558 0.000000 21 H 1.084866 2.384007 3.775705 4.264146 1.724135 22 C 1.533635 3.212100 2.813037 5.034716 2.150660 23 H 2.154038 4.030122 3.145958 5.486942 2.437704 24 H 2.173055 2.783047 3.792241 5.841201 3.049142 25 H 2.183937 3.857306 2.239722 5.046329 2.557211 21 22 23 24 25 21 H 0.000000 22 C 2.155823 0.000000 23 H 2.503606 1.085432 0.000000 24 H 2.479100 1.083685 1.758004 0.000000 25 H 3.068801 1.086575 1.758659 1.755493 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.366879 1.234710 -0.357744 2 6 0 2.316369 1.302221 0.816361 3 8 0 1.997366 0.837761 -1.539036 4 8 0 -3.107636 -1.892278 -0.183321 5 6 0 -2.068393 -1.308247 -0.097446 6 7 0 -2.050530 0.066993 0.104141 7 6 0 -0.985372 0.889259 0.126867 8 16 0 -1.255494 2.537961 0.378856 9 7 0 0.231809 0.314849 -0.111055 10 6 0 0.346274 -1.078669 -0.244213 11 6 0 -0.744025 -1.851516 -0.288156 12 1 0 0.920730 2.201001 -0.492947 13 1 0 3.012852 2.114069 0.631325 14 1 0 1.764545 1.525253 1.723208 15 1 0 -2.939044 0.505001 0.240751 16 6 0 1.704076 -1.760913 -0.282936 17 1 0 -0.661718 -2.908753 -0.428343 18 1 0 2.895426 0.400560 0.951431 19 1 0 1.829622 1.493965 -2.206581 20 1 0 2.469265 -1.113508 -0.657645 21 1 0 1.634227 -2.586325 -0.983471 22 6 0 2.094165 -2.291742 1.102015 23 1 0 3.082325 -2.738193 1.053190 24 1 0 1.395753 -3.048040 1.440551 25 1 0 2.117277 -1.499784 1.845598 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7932636 0.7019507 0.4278459 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.9145209716 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.06D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999561 -0.002532 -0.003940 -0.029256 Ang= -3.40 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.079213821 A.U. after 15 cycles NFock= 15 Conv=0.79D-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 -0.006035692 -0.005814609 -0.002840379 2 6 0.006699319 -0.003507336 0.002732700 3 8 0.010233264 0.000608792 0.002441853 4 8 -0.001072820 0.001523085 0.007379177 5 6 0.005585531 -0.005705068 -0.017213239 6 7 -0.001299860 0.004899271 0.005818162 7 6 0.001301858 -0.003752040 -0.006417155 8 16 -0.003306519 0.001145587 0.001112502 9 7 -0.000813994 0.012568228 -0.000286148 10 6 0.000769902 -0.002516056 -0.004098184 11 6 -0.001649392 0.002216714 0.005447800 12 1 -0.002039171 -0.000551588 0.001569029 13 1 -0.000772422 0.000214516 0.001476426 14 1 -0.000189637 -0.001464833 -0.000471242 15 1 -0.000648261 -0.000836958 0.000837950 16 6 0.000957257 0.002439150 0.000101552 17 1 -0.001480192 -0.000119738 0.001176500 18 1 -0.000467875 0.000830647 -0.000740428 19 1 -0.005696508 -0.001546288 0.000791068 20 1 0.003247053 -0.001852626 -0.000899569 21 1 0.000196991 0.001859025 0.000766109 22 6 -0.001281065 -0.000196498 0.001157589 23 1 -0.000245071 0.000643774 0.000582915 24 1 0.000068406 0.000004127 0.000603386 25 1 -0.002061101 -0.001089278 -0.001028373 ------------------------------------------------------------------- Cartesian Forces: Max 0.017213239 RMS 0.003851605 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008543275 RMS 0.002173134 Search for a local minimum. Step number 17 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 16 17 15 DE= 6.67D-04 DEPred=-2.92D-03 R=-2.29D-01 Trust test=-2.29D-01 RLast= 6.35D-01 DXMaxT set to 2.96D-01 ITU= -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- -0.01292 0.00002 0.00231 0.00552 0.00849 Eigenvalues --- 0.01575 0.01773 0.01929 0.02049 0.02092 Eigenvalues --- 0.02285 0.02941 0.03944 0.04176 0.04874 Eigenvalues --- 0.05272 0.05369 0.05456 0.05653 0.05858 Eigenvalues --- 0.06182 0.06452 0.08381 0.09150 0.11855 Eigenvalues --- 0.14724 0.15243 0.15637 0.15979 0.15999 Eigenvalues --- 0.16025 0.16079 0.16183 0.16448 0.17651 Eigenvalues --- 0.21794 0.21945 0.23528 0.23981 0.24850 Eigenvalues --- 0.24914 0.25589 0.27027 0.28345 0.28782 Eigenvalues --- 0.30167 0.31672 0.33827 0.34655 0.34793 Eigenvalues --- 0.34823 0.34835 0.34854 0.34915 0.35245 Eigenvalues --- 0.35456 0.36238 0.39212 0.42031 0.42640 Eigenvalues --- 0.42814 0.43756 0.46095 0.48118 0.50118 Eigenvalues --- 0.56287 0.62373 0.87866 1.21961 RFO step: Lambda=-1.35987966D-02 EMin=-1.29199503D-02 I= 1 Eig= -1.29D-02 Dot1= 1.78D-03 I= 1 Stepn= 6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 1.78D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 5.04D-05. Quartic linear search produced a step of -0.62633. Iteration 1 RMS(Cart)= 0.08377047 RMS(Int)= 0.00303555 Iteration 2 RMS(Cart)= 0.00384010 RMS(Int)= 0.00060309 Iteration 3 RMS(Cart)= 0.00000684 RMS(Int)= 0.00060305 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00060305 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85631 0.00380 0.00764 -0.00342 0.00422 2.86053 R2 2.63922 -0.00084 -0.00086 -0.02246 -0.02333 2.61589 R3 2.79998 0.00854 0.00777 0.00302 0.01079 2.81077 R4 2.02743 -0.00236 -0.00011 0.00097 0.00086 2.02828 R5 2.05140 -0.00048 -0.00179 -0.00198 -0.00378 2.04762 R6 2.04983 -0.00150 -0.00264 -0.00604 -0.00868 2.04115 R7 2.04103 -0.00048 0.00012 -0.00775 -0.00763 2.03340 R8 1.79709 -0.00475 -0.00726 0.00384 -0.00342 1.79366 R9 2.25859 -0.00230 -0.00236 -0.00419 -0.00655 2.25204 R10 2.62682 -0.00062 -0.00031 0.00238 0.00239 2.62921 R11 2.72898 -0.00025 0.00234 0.00080 0.00341 2.73239 R12 2.54321 0.00006 0.00069 0.00650 0.00729 2.55050 R13 1.88970 -0.00116 -0.00151 -0.00018 -0.00169 1.88801 R14 3.19284 -0.00220 -0.00869 -0.01512 -0.02381 3.16903 R15 2.58284 0.00048 -0.00420 -0.00269 -0.00716 2.57568 R16 2.65419 -0.00027 0.00157 0.00313 0.00435 2.65854 R17 2.52685 -0.00030 -0.00135 0.00036 -0.00107 2.52578 R18 2.87250 -0.00122 -0.00195 0.00087 -0.00108 2.87142 R19 2.02137 0.00127 0.00189 0.00579 0.00768 2.02905 R20 2.02214 0.00364 0.00379 0.00320 0.00699 2.02913 R21 2.05010 -0.00150 -0.00195 -0.00475 -0.00670 2.04340 R22 2.89815 0.00259 0.00343 0.00175 0.00519 2.90334 R23 2.05117 -0.00029 -0.00053 -0.00073 -0.00126 2.04991 R24 2.04787 -0.00011 -0.00032 0.00163 0.00131 2.04918 R25 2.05333 -0.00241 -0.00267 -0.01127 -0.01395 2.03938 A1 1.96723 -0.00640 -0.00878 -0.04227 -0.05136 1.91588 A2 1.96019 0.00591 0.01392 0.06599 0.08053 2.04072 A3 1.89535 -0.00035 -0.00350 -0.03600 -0.03923 1.85612 A4 1.88621 0.00259 -0.00135 -0.00707 -0.00757 1.87863 A5 1.91466 0.00170 0.00723 0.03738 0.04353 1.95819 A6 1.83544 -0.00323 -0.00718 -0.01532 -0.02168 1.81376 A7 1.87972 0.00273 0.00805 -0.00970 -0.00166 1.87806 A8 1.91667 0.00009 -0.00235 -0.00843 -0.01075 1.90592 A9 1.97865 -0.00163 -0.00411 0.00935 0.00529 1.98395 A10 1.89138 -0.00086 0.00194 -0.00570 -0.00381 1.88758 A11 1.87724 -0.00029 0.00573 -0.00424 0.00149 1.87874 A12 1.91754 0.00003 -0.00863 0.01754 0.00900 1.92654 A13 1.89440 0.00474 0.01354 0.01232 0.02585 1.92025 A14 2.10022 0.00034 0.00037 0.00253 0.00003 2.10025 A15 2.21943 0.00002 -0.00133 0.00595 0.00166 2.22109 A16 1.96011 0.00014 0.00180 -0.00220 -0.00189 1.95822 A17 2.23584 -0.00010 -0.00293 0.00658 0.00431 2.24015 A18 2.02833 -0.00023 0.00064 -0.00397 -0.00363 2.02470 A19 2.01896 0.00033 0.00193 -0.00262 -0.00099 2.01796 A20 2.06256 -0.00331 0.00374 0.00796 0.01097 2.07353 A21 2.03211 0.00078 -0.00015 -0.00382 -0.00455 2.02755 A22 2.18761 0.00265 -0.00314 -0.00236 -0.00622 2.18139 A23 2.03789 0.00746 0.00923 0.00248 0.01182 2.04971 A24 2.13854 -0.00577 -0.01316 -0.00186 -0.01490 2.12365 A25 2.10139 -0.00169 0.00144 -0.00170 -0.00063 2.10076 A26 2.10611 0.00157 0.00039 0.00969 0.01016 2.11627 A27 2.11825 -0.00103 -0.00740 0.00908 0.00188 2.12014 A28 2.05794 -0.00057 0.00493 -0.01841 -0.01324 2.04470 A29 2.12469 -0.00065 -0.00351 -0.00505 -0.00800 2.11669 A30 2.04845 0.00049 0.00036 0.01029 0.01047 2.05892 A31 2.10928 0.00014 0.00241 -0.00471 -0.00251 2.10677 A32 1.95641 -0.00133 -0.00190 -0.01633 -0.02054 1.93587 A33 1.87593 -0.00114 -0.00505 -0.01493 -0.01987 1.85607 A34 1.93858 0.00229 0.00519 0.02899 0.03320 1.97178 A35 1.85484 0.00051 -0.00076 -0.00262 -0.00265 1.85219 A36 1.92170 0.00127 0.00776 0.05288 0.06039 1.98209 A37 1.91363 -0.00180 -0.00618 -0.05314 -0.05850 1.85514 A38 1.91060 0.00099 0.00317 -0.00398 -0.00127 1.90933 A39 1.93878 0.00042 -0.00092 -0.03534 -0.03616 1.90263 A40 1.95102 0.00075 0.00297 0.04846 0.05143 2.00245 A41 1.88991 -0.00069 -0.00134 -0.00145 -0.00315 1.88675 A42 1.88726 -0.00076 -0.00147 -0.00300 -0.00496 1.88230 A43 1.88451 -0.00081 -0.00263 -0.00527 -0.00741 1.87710 D1 1.17519 -0.00191 -0.07579 0.11052 0.03548 1.21067 D2 -3.05174 -0.00133 -0.07010 0.09347 0.02417 -3.02758 D3 -0.89952 -0.00239 -0.08585 0.11665 0.03153 -0.86798 D4 -2.97237 0.00116 -0.07376 0.11931 0.04547 -2.92690 D5 -0.91612 0.00175 -0.06807 0.10226 0.03416 -0.88196 D6 1.23611 0.00068 -0.08383 0.12544 0.04152 1.27763 D7 -0.95002 0.00037 -0.07680 0.11609 0.03859 -0.91143 D8 1.10624 0.00096 -0.07111 0.09904 0.02728 1.13351 D9 -3.02473 -0.00010 -0.08687 0.12222 0.03464 -2.99008 D10 -2.18284 0.00150 0.14497 -0.18254 -0.03695 -2.21979 D11 1.92366 -0.00359 0.13417 -0.23300 -0.09880 1.82487 D12 -0.06859 -0.00205 0.13967 -0.23045 -0.09145 -0.16004 D13 1.85863 0.00084 -0.01527 0.08648 0.07104 1.92967 D14 -1.39375 0.00071 -0.03707 0.07522 0.03795 -1.35580 D15 -2.24368 -0.00142 -0.01796 0.07244 0.05484 -2.18884 D16 0.78713 -0.00155 -0.03976 0.06118 0.02175 0.80888 D17 -0.19957 0.00013 -0.01389 0.10445 0.09042 -0.10915 D18 2.83124 -0.00000 -0.03569 0.09320 0.05733 2.88857 D19 -3.04983 -0.00286 -0.02323 -0.04889 -0.07159 -3.12143 D20 0.08019 -0.00314 -0.04065 -0.05057 -0.09085 -0.01066 D21 0.00915 0.00321 0.06882 0.02706 0.09601 0.10517 D22 3.13918 0.00293 0.05140 0.02539 0.07675 -3.06725 D23 3.07012 0.00402 0.04854 0.06347 0.11238 -3.10068 D24 -0.11315 0.00349 0.03312 0.07800 0.11135 -0.00180 D25 0.01801 -0.00258 -0.05108 -0.01857 -0.06930 -0.05128 D26 3.11793 -0.00310 -0.06651 -0.00404 -0.07033 3.04760 D27 3.13053 0.00056 -0.00882 0.00431 -0.00443 3.12610 D28 0.03231 -0.00239 -0.04819 -0.03812 -0.08640 -0.05409 D29 0.00045 0.00084 0.00855 0.00598 0.01478 0.01523 D30 -3.09777 -0.00211 -0.03082 -0.03645 -0.06719 3.11823 D31 2.93399 0.00046 -0.01636 0.02829 0.01168 2.94567 D32 -0.09932 0.00088 0.00625 0.03931 0.04529 -0.05403 D33 -0.16073 -0.00256 -0.05881 -0.01785 -0.07647 -0.23720 D34 3.08914 -0.00214 -0.03620 -0.00682 -0.04286 3.04629 D35 -2.89760 -0.00085 0.02792 -0.02234 0.00531 -2.89228 D36 0.29019 0.00007 0.06164 -0.03139 0.03043 0.32062 D37 0.12929 -0.00044 0.00592 -0.03374 -0.02800 0.10129 D38 -2.96611 0.00048 0.03964 -0.04279 -0.00288 -2.96899 D39 -0.08570 0.00132 0.01905 0.02339 0.04250 -0.04321 D40 3.09901 0.00186 0.03509 0.00801 0.04326 -3.14092 D41 3.01126 0.00042 -0.01422 0.03282 0.01879 3.03004 D42 -0.08722 0.00096 0.00182 0.01744 0.01955 -0.06767 D43 -0.47222 -0.00082 -0.01076 -0.00944 -0.01968 -0.49189 D44 -2.50414 -0.00000 -0.00576 0.01188 0.00591 -2.49823 D45 1.68573 0.00157 0.00192 0.06915 0.07076 1.75649 D46 2.71434 0.00002 0.02229 -0.01895 0.00387 2.71820 D47 0.68241 0.00084 0.02729 0.00237 0.02946 0.71187 D48 -1.41090 0.00241 0.03497 0.05964 0.09431 -1.31660 D49 -3.10317 -0.00064 0.00033 -0.04543 -0.04585 3.13416 D50 1.09377 -0.00069 0.00054 -0.01900 -0.01942 1.07435 D51 -1.01252 -0.00046 0.00252 -0.02099 -0.01895 -1.03146 D52 -0.92552 0.00019 0.00740 -0.00754 0.00080 -0.92472 D53 -3.01177 0.00015 0.00760 0.01889 0.02724 -2.98453 D54 1.16513 0.00037 0.00958 0.01691 0.02771 1.19284 D55 1.10927 0.00049 0.00731 -0.01117 -0.00412 1.10514 D56 -0.97698 0.00045 0.00752 0.01526 0.02231 -0.95466 D57 -3.08326 0.00067 0.00949 0.01328 0.02278 -3.06048 Item Value Threshold Converged? Maximum Force 0.008543 0.000450 NO RMS Force 0.002173 0.000300 NO Maximum Displacement 0.395984 0.001800 NO RMS Displacement 0.083138 0.001200 NO Predicted change in Energy=-4.460039D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019134 -4.966190 2.152434 2 6 0 7.188463 -5.250886 3.629472 3 8 0 7.010194 -6.155597 1.444311 4 8 0 2.841348 -2.214343 -0.065847 5 6 0 3.679550 -2.866281 0.475090 6 7 0 4.940144 -2.329428 0.716868 7 6 0 6.006889 -2.923123 1.292351 8 16 0 7.431235 -2.051469 1.446352 9 7 0 5.814317 -4.192676 1.749401 10 6 0 4.544023 -4.792057 1.670069 11 6 0 3.528825 -4.185684 1.047051 12 1 0 7.838688 -4.332856 1.870943 13 1 0 8.197207 -5.617136 3.779094 14 1 0 7.079150 -4.330159 4.183540 15 1 0 5.084409 -1.391756 0.403591 16 6 0 4.243580 -6.109444 2.365099 17 1 0 2.562669 -4.650899 0.992251 18 1 0 6.511215 -5.997501 4.005956 19 1 0 7.650909 -6.122190 0.744824 20 1 0 5.132157 -6.705014 2.458439 21 1 0 3.582894 -6.656921 1.707062 22 6 0 3.482783 -5.929816 3.687742 23 1 0 3.292844 -6.902385 4.129046 24 1 0 2.527044 -5.459578 3.484479 25 1 0 3.992331 -5.326609 4.423381 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513726 0.000000 3 O 1.384272 2.371753 0.000000 4 O 5.472414 6.463233 5.932397 0.000000 5 C 4.286714 5.286675 4.780395 1.191729 0.000000 6 N 3.651788 4.698204 4.410652 2.242952 1.391318 7 C 2.436905 3.503817 3.388009 3.516776 2.467316 8 S 3.027206 3.880879 4.125669 4.835322 3.960102 9 N 1.487394 2.557880 2.318676 4.005929 2.817875 10 C 2.527680 3.323078 2.827049 3.543602 2.425675 11 C 3.743436 4.603966 4.019739 2.365872 1.445919 12 H 1.073320 2.087581 2.047145 5.763042 4.625762 13 H 2.111305 1.083554 2.673977 7.419419 6.236414 14 H 2.129209 1.080129 3.292470 6.363405 5.239544 15 H 4.424724 5.452177 5.242702 2.434819 2.037883 16 C 3.009311 3.317845 2.916184 4.800788 3.795836 17 H 4.615789 5.358441 4.716879 2.670961 2.167888 18 H 2.181084 1.076029 2.614575 6.660314 5.503624 19 H 1.927911 3.048643 0.949165 6.249826 5.142508 20 H 2.584149 2.777444 2.203936 5.637903 4.558465 21 H 3.855473 4.321195 3.473723 4.840412 3.986985 22 C 3.973855 3.767812 4.186477 5.320302 4.443546 23 H 4.641237 4.260618 4.645878 6.307036 5.458119 24 H 4.711332 4.668340 4.974471 4.820285 4.136410 25 H 3.801137 3.294129 4.320831 5.582484 4.662623 6 7 8 9 10 6 N 0.000000 7 C 1.349666 0.000000 8 S 2.610545 1.676980 0.000000 9 N 2.302606 1.362991 2.700191 0.000000 10 C 2.670214 2.403239 3.987087 1.406839 0.000000 11 C 2.355107 2.791958 4.465772 2.390987 1.336588 12 H 3.707717 2.382772 2.356061 2.032855 3.332571 13 H 5.549297 4.270724 4.329246 3.439026 4.298196 14 H 4.538291 3.389464 3.578909 2.746586 3.599687 15 H 0.999091 1.996484 2.651446 3.192041 3.668518 16 C 4.182151 3.796404 5.241412 2.553487 1.519487 17 H 3.334284 3.864960 5.537705 3.369934 2.098840 18 H 5.171182 4.131561 4.792617 2.972389 3.283185 19 H 4.661981 3.638216 4.136564 2.846975 3.504008 20 H 4.713352 4.053099 5.288247 2.698132 2.151007 21 H 4.642177 4.470904 6.007320 3.324687 2.098299 22 C 4.890071 4.598827 5.971238 3.494406 2.547888 23 H 5.938728 5.589937 6.917695 4.400347 3.473543 24 H 4.824994 4.832013 6.310330 3.927047 2.793899 25 H 4.860009 4.431539 5.604936 3.428645 2.858468 11 12 13 14 15 11 C 0.000000 12 H 4.390373 0.000000 13 H 5.595256 2.327863 0.000000 14 H 4.739540 2.434134 1.752124 0.000000 15 H 3.261888 4.288268 6.239981 5.186638 0.000000 16 C 2.439052 4.040452 4.227637 3.809598 5.177942 17 H 1.073725 5.358136 6.359884 5.539476 4.162656 18 H 4.575199 3.015212 1.743190 1.770343 6.018778 19 H 4.564315 2.122527 3.124150 3.919573 5.392621 20 H 3.302985 3.646586 3.510290 3.522312 5.696963 21 H 2.558427 4.851795 5.163947 4.875507 5.628103 22 C 3.165022 4.982464 4.725664 3.967187 5.826220 23 H 4.115196 5.689130 5.082037 4.577709 6.888813 24 H 2.927016 5.664500 5.679997 4.741934 5.707816 25 H 3.593905 4.721964 4.263859 3.252520 5.730132 16 17 18 19 20 16 C 0.000000 17 H 2.614867 0.000000 18 H 2.801270 5.146530 0.000000 19 H 3.772976 5.302462 3.456796 0.000000 20 H 1.073772 3.601578 2.190247 3.101656 0.000000 21 H 1.081318 2.361343 3.780848 4.214331 1.722527 22 C 1.536380 3.122165 3.045856 5.105982 2.198307 23 H 2.155032 3.929609 3.345426 5.572647 2.492580 24 H 2.149845 2.620388 4.054000 5.847971 3.064389 25 H 2.216412 3.777985 2.639908 5.248803 2.657104 21 22 23 24 25 21 H 0.000000 22 C 2.112297 0.000000 23 H 2.451609 1.084765 0.000000 24 H 2.389071 1.084379 1.756020 0.000000 25 H 3.052172 1.079195 1.748995 1.745361 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.414276 1.200883 -0.339017 2 6 0 2.461011 1.256087 0.753075 3 8 0 1.998264 0.797240 -1.527394 4 8 0 -3.160631 -1.797160 -0.167901 5 6 0 -2.112658 -1.229738 -0.169507 6 7 0 -2.052914 0.136485 0.086674 7 6 0 -0.967552 0.938530 0.104347 8 16 0 -1.174988 2.571934 0.422500 9 7 0 0.234300 0.328152 -0.097481 10 6 0 0.306547 -1.069160 -0.244097 11 6 0 -0.798821 -1.818115 -0.304882 12 1 0 0.996369 2.187159 -0.407065 13 1 0 3.125172 2.082379 0.528974 14 1 0 1.978360 1.459032 1.697818 15 1 0 -2.927345 0.589074 0.256135 16 6 0 1.639488 -1.798607 -0.247944 17 1 0 -0.733488 -2.884047 -0.416264 18 1 0 3.060567 0.365254 0.822266 19 1 0 1.792764 1.416076 -2.217123 20 1 0 2.423727 -1.162174 -0.612509 21 1 0 1.545260 -2.600884 -0.966778 22 6 0 1.963574 -2.462683 1.099066 23 1 0 2.919466 -2.970764 1.029502 24 1 0 1.203314 -3.203815 1.319530 25 1 0 2.009683 -1.784509 1.937288 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7855959 0.7007376 0.4240272 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.3349096947 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.06D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999767 -0.009949 -0.004764 -0.018543 Ang= -2.47 deg. B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999821 -0.004579 -0.001850 0.018288 Ang= -2.17 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.078725873 A.U. after 14 cycles NFock= 14 Conv=0.46D-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 -0.000041270 -0.001424337 -0.001087821 2 6 -0.002152282 0.006183663 0.001366229 3 8 0.010457874 -0.007196260 -0.006011271 4 8 -0.001485270 0.000346481 -0.005385804 5 6 -0.000043502 0.001629048 0.011129013 6 7 0.004268860 -0.000032745 -0.003012753 7 6 -0.008107979 0.000045836 0.002956037 8 16 0.002982039 0.004889314 -0.001753976 9 7 -0.002337471 0.000481851 0.003782379 10 6 -0.002371940 0.000417964 0.002395506 11 6 0.001694477 -0.000321756 -0.003637225 12 1 -0.000734026 -0.004078550 -0.003318269 13 1 0.000079615 -0.000365675 -0.000559920 14 1 -0.000827681 0.000818798 0.003816602 15 1 -0.000130113 -0.000386258 -0.000202552 16 6 0.002201425 0.000011598 -0.002180967 17 1 0.001636892 0.001686639 -0.000386404 18 1 -0.003790285 -0.000869940 0.001204430 19 1 -0.003889434 0.000115294 -0.000488713 20 1 -0.001101018 -0.001414077 0.004127871 21 1 0.001387566 -0.001223397 -0.002912880 22 6 -0.002382069 -0.001107961 -0.002563145 23 1 -0.000125280 -0.000096187 0.000042714 24 1 -0.000213812 -0.000405020 0.002443599 25 1 0.005024682 0.002295676 0.000237319 ------------------------------------------------------------------- Cartesian Forces: Max 0.011129013 RMS 0.003189339 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.015304810 RMS 0.003097362 Search for a local minimum. Step number 18 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Iteration 1 RMS(Cart)= 0.08190836 RMS(Int)= 0.00287742 Iteration 2 RMS(Cart)= 0.00396949 RMS(Int)= 0.00000625 Iteration 3 RMS(Cart)= 0.00000864 RMS(Int)= 0.00000000 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Update second derivatives using D2CorX and points 13 14 16 17 15 ITU= 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.62633. Iteration 1 RMS(Cart)= 0.04853564 RMS(Int)= 0.00184102 Iteration 2 RMS(Cart)= 0.00193952 RMS(Int)= 0.00071366 Iteration 3 RMS(Cart)= 0.00000474 RMS(Int)= 0.00071365 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00071365 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85631 0.00380 0.00764 0.00000 0.01186 2.86817 R2 2.63922 -0.00084 -0.00086 0.00000 -0.02419 2.61503 R3 2.79998 0.00854 0.00777 0.00000 0.01856 2.81854 R4 2.02743 -0.00236 -0.00011 0.00000 0.00074 2.02817 R5 2.05140 -0.00048 -0.00179 0.00000 -0.00557 2.04583 R6 2.04983 -0.00150 -0.00264 0.00000 -0.01132 2.03851 R7 2.04103 -0.00048 0.00012 0.00000 -0.00751 2.03352 R8 1.79709 -0.00475 -0.00726 0.00000 -0.01069 1.78640 R9 2.25859 -0.00230 -0.00236 0.00000 -0.00891 2.24968 R10 2.62682 -0.00062 -0.00031 0.00000 0.00235 2.62916 R11 2.72898 -0.00025 0.00234 0.00000 0.00606 2.73504 R12 2.54321 0.00006 0.00069 0.00000 0.00797 2.55118 R13 1.88970 -0.00116 -0.00151 0.00000 -0.00320 1.88650 R14 3.19284 -0.00220 -0.00869 0.00000 -0.03250 3.16034 R15 2.58284 0.00048 -0.00420 0.00000 -0.01167 2.57117 R16 2.65419 -0.00027 0.00157 0.00000 0.00563 2.65983 R17 2.52685 -0.00030 -0.00135 0.00000 -0.00239 2.52446 R18 2.87250 -0.00122 -0.00195 0.00000 -0.00303 2.86946 R19 2.02137 0.00127 0.00189 0.00000 0.00957 2.03093 R20 2.02214 0.00364 0.00379 0.00000 0.01078 2.03292 R21 2.05010 -0.00150 -0.00195 0.00000 -0.00866 2.04144 R22 2.89815 0.00259 0.00343 0.00000 0.00862 2.90677 R23 2.05117 -0.00029 -0.00053 0.00000 -0.00179 2.04938 R24 2.04787 -0.00011 -0.00032 0.00000 0.00099 2.04886 R25 2.05333 -0.00241 -0.00267 0.00000 -0.01662 2.03671 A1 1.96723 -0.00640 -0.00878 0.00000 -0.06021 1.90703 A2 1.96019 0.00591 0.01392 0.00000 0.09464 2.05483 A3 1.89535 -0.00035 -0.00350 0.00000 -0.04257 1.85278 A4 1.88621 0.00259 -0.00135 0.00000 -0.00865 1.87756 A5 1.91466 0.00170 0.00723 0.00000 0.05048 1.96514 A6 1.83544 -0.00323 -0.00718 0.00000 -0.02865 1.80679 A7 1.87972 0.00273 0.00805 0.00000 0.00641 1.88613 A8 1.91667 0.00009 -0.00235 0.00000 -0.01304 1.90363 A9 1.97865 -0.00163 -0.00411 0.00000 0.00118 1.97984 A10 1.89138 -0.00086 0.00194 0.00000 -0.00179 1.88959 A11 1.87724 -0.00029 0.00573 0.00000 0.00719 1.88444 A12 1.91754 0.00003 -0.00863 0.00000 0.00039 1.91794 A13 1.89440 0.00474 0.01354 0.00000 0.03939 1.93379 A14 2.10022 0.00034 0.00037 0.00000 -0.00434 2.09588 A15 2.21943 0.00002 -0.00133 0.00000 -0.00446 2.21497 A16 1.96011 0.00014 0.00180 0.00000 -0.00349 1.95662 A17 2.23584 -0.00010 -0.00293 0.00000 0.00182 2.23766 A18 2.02833 -0.00023 0.00064 0.00000 -0.00330 2.02504 A19 2.01896 0.00033 0.00193 0.00000 0.00062 2.01957 A20 2.06256 -0.00331 0.00374 0.00000 0.01382 2.07638 A21 2.03211 0.00078 -0.00015 0.00000 -0.00563 2.02647 A22 2.18761 0.00265 -0.00314 0.00000 -0.01020 2.17741 A23 2.03789 0.00746 0.00923 0.00000 0.02098 2.05887 A24 2.13854 -0.00577 -0.01316 0.00000 -0.02805 2.11049 A25 2.10139 -0.00169 0.00144 0.00000 0.00035 2.10174 A26 2.10611 0.00157 0.00039 0.00000 0.01045 2.11656 A27 2.11825 -0.00103 -0.00740 0.00000 -0.00568 2.11257 A28 2.05794 -0.00057 0.00493 0.00000 -0.00846 2.04947 A29 2.12469 -0.00065 -0.00351 0.00000 -0.01086 2.11383 A30 2.04845 0.00049 0.00036 0.00000 0.01053 2.05898 A31 2.10928 0.00014 0.00241 0.00000 -0.00040 2.10888 A32 1.95641 -0.00133 -0.00190 0.00000 -0.02309 1.93332 A33 1.87593 -0.00114 -0.00505 0.00000 -0.02488 1.85106 A34 1.93858 0.00229 0.00519 0.00000 0.03811 1.97669 A35 1.85484 0.00051 -0.00076 0.00000 -0.00327 1.85157 A36 1.92170 0.00127 0.00776 0.00000 0.06805 1.98975 A37 1.91363 -0.00180 -0.00618 0.00000 -0.06445 1.84919 A38 1.91060 0.00099 0.00317 0.00000 0.00184 1.91244 A39 1.93878 0.00042 -0.00092 0.00000 -0.03703 1.90176 A40 1.95102 0.00075 0.00297 0.00000 0.05434 2.00536 A41 1.88991 -0.00069 -0.00134 0.00000 -0.00444 1.88547 A42 1.88726 -0.00076 -0.00147 0.00000 -0.00657 1.88069 A43 1.88451 -0.00081 -0.00263 0.00000 -0.00999 1.87451 D1 1.17519 -0.00191 -0.07579 0.00000 -0.04006 1.13513 D2 -3.05174 -0.00133 -0.07010 0.00000 -0.04572 -3.09747 D3 -0.89952 -0.00239 -0.08585 0.00000 -0.05411 -0.95363 D4 -2.97237 0.00116 -0.07376 0.00000 -0.02832 -3.00069 D5 -0.91612 0.00175 -0.06807 0.00000 -0.03399 -0.95011 D6 1.23611 0.00068 -0.08383 0.00000 -0.04238 1.19373 D7 -0.95002 0.00037 -0.07680 0.00000 -0.03834 -0.98836 D8 1.10624 0.00096 -0.07111 0.00000 -0.04401 1.06223 D9 -3.02473 -0.00010 -0.08687 0.00000 -0.05240 -3.07712 D10 -2.18284 0.00150 0.14497 0.00000 0.10819 -2.07465 D11 1.92366 -0.00359 0.13417 0.00000 0.03536 1.95902 D12 -0.06859 -0.00205 0.13967 0.00000 0.04806 -0.02053 D13 1.85863 0.00084 -0.01527 0.00000 0.05567 1.91430 D14 -1.39375 0.00071 -0.03707 0.00000 0.00074 -1.39301 D15 -2.24368 -0.00142 -0.01796 0.00000 0.03700 -2.20668 D16 0.78713 -0.00155 -0.03976 0.00000 -0.01792 0.76921 D17 -0.19957 0.00013 -0.01389 0.00000 0.07656 -0.12301 D18 2.83124 -0.00000 -0.03569 0.00000 0.02163 2.85287 D19 -3.04983 -0.00286 -0.02323 0.00000 -0.09449 3.13887 D20 0.08019 -0.00314 -0.04065 0.00000 -0.13121 -0.05102 D21 0.00915 0.00321 0.06882 0.00000 0.16489 0.17404 D22 -3.14400 0.00293 0.05140 0.00000 0.12816 -3.01584 D23 -3.21306 0.00402 0.04854 0.00000 0.16090 -3.05216 D24 -0.11315 0.00349 0.03312 0.00000 0.14429 0.03114 D25 0.01801 -0.00258 -0.05108 0.00000 -0.12005 -0.10203 D26 3.11793 -0.00310 -0.06651 0.00000 -0.13666 2.98126 D27 3.13053 0.00056 -0.00882 0.00000 -0.01308 3.11745 D28 0.03231 -0.00239 -0.04819 0.00000 -0.13461 -0.10230 D29 0.00045 0.00084 0.00855 0.00000 0.02357 0.02403 D30 3.18542 -0.00211 -0.03082 0.00000 -0.09796 3.08746 D31 2.93399 0.00046 -0.01636 0.00000 -0.00510 2.92889 D32 -0.09932 0.00088 0.00625 0.00000 0.05146 -0.04785 D33 -0.16073 -0.00256 -0.05881 0.00000 -0.13521 -0.29594 D34 3.08914 -0.00214 -0.03620 0.00000 -0.07865 3.01049 D35 -2.89760 -0.00085 0.02792 0.00000 0.03289 -2.86470 D36 0.29019 0.00007 0.06164 0.00000 0.09201 0.38220 D37 0.12929 -0.00044 0.00592 0.00000 -0.02217 0.10712 D38 -2.96611 0.00048 0.03964 0.00000 0.03694 -2.92916 D39 -0.08570 0.00132 0.01905 0.00000 0.06151 -0.02420 D40 -3.18418 0.00186 0.03509 0.00000 0.07835 -3.10583 D41 3.01126 0.00042 -0.01422 0.00000 0.00450 3.01576 D42 -0.08722 0.00096 0.00182 0.00000 0.02134 -0.06588 D43 -0.47222 -0.00082 -0.01076 0.00000 -0.03020 -0.50242 D44 -2.50414 -0.00000 -0.00576 0.00000 0.00016 -2.50398 D45 1.68573 0.00157 0.00192 0.00000 0.07269 1.75842 D46 2.71434 0.00002 0.02229 0.00000 0.02623 2.74057 D47 0.68241 0.00084 0.02729 0.00000 0.05659 0.73900 D48 -1.41090 0.00241 0.03497 0.00000 0.12912 -1.28178 D49 3.18001 -0.00064 0.00033 0.00000 -0.04577 3.13424 D50 1.09377 -0.00069 0.00054 0.00000 -0.01907 1.07470 D51 -1.01252 -0.00046 0.00252 0.00000 -0.01658 -1.02910 D52 -0.92552 0.00019 0.00740 0.00000 0.00840 -0.91713 D53 -3.01177 0.00015 0.00760 0.00000 0.03510 -2.97667 D54 1.16513 0.00037 0.00958 0.00000 0.03759 1.20272 D55 1.10927 0.00049 0.00731 0.00000 0.00308 1.11234 D56 -0.97698 0.00045 0.00752 0.00000 0.02978 -0.94720 D57 -3.08326 0.00067 0.00949 0.00000 0.03227 -3.05099 Item Value Threshold Converged? Maximum Force 0.015305 0.000450 NO RMS Force 0.003097 0.000300 NO Maximum Displacement 0.244987 0.001800 NO RMS Displacement 0.048718 0.001200 NO Predicted change in Energy=-1.554273D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019629 -4.967529 2.135856 2 6 0 7.229086 -5.266368 3.609098 3 8 0 6.987920 -6.156650 1.428798 4 8 0 2.832984 -2.231343 -0.072118 5 6 0 3.684612 -2.889267 0.436910 6 7 0 4.919350 -2.321891 0.735573 7 6 0 5.991044 -2.908755 1.309712 8 16 0 7.384054 -2.010499 1.532228 9 7 0 5.810761 -4.182825 1.751847 10 6 0 4.549222 -4.799331 1.654123 11 6 0 3.534031 -4.204779 1.021284 12 1 0 7.834187 -4.333991 1.840878 13 1 0 8.209713 -5.710027 3.725582 14 1 0 7.208791 -4.340816 4.162820 15 1 0 5.043525 -1.371344 0.456956 16 6 0 4.255369 -6.100635 2.379352 17 1 0 2.564790 -4.667184 0.979025 18 1 0 6.504597 -5.951245 4.014107 19 1 0 7.687548 -6.188383 0.793858 20 1 0 5.152954 -6.681206 2.500090 21 1 0 3.615888 -6.671359 1.721817 22 6 0 3.457371 -5.904464 3.679648 23 1 0 3.275041 -6.867916 4.142922 24 1 0 2.497747 -5.460146 3.440465 25 1 0 3.931786 -5.272046 4.412169 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517768 0.000000 3 O 1.383815 2.367376 0.000000 4 O 5.467162 6.487560 5.909676 0.000000 5 C 4.281113 5.317582 4.750945 1.190480 0.000000 6 N 3.656688 4.718259 4.411906 2.239082 1.391292 7 C 2.445210 3.518275 3.399524 3.513074 2.466129 8 S 3.039934 3.864982 4.166316 4.830625 3.956997 9 N 1.491505 2.575867 2.320786 4.000286 2.814758 10 C 2.522553 3.349884 2.800060 3.538353 2.424356 11 C 3.738109 4.634348 3.988135 2.362508 1.447322 12 H 1.073260 2.088558 2.051356 5.752627 4.612736 13 H 2.120102 1.082604 2.639596 7.445333 6.264870 14 H 2.130055 1.078733 3.289515 6.444553 5.330032 15 H 4.433536 5.466615 5.255882 2.430228 2.037433 16 C 2.997391 3.324344 2.893704 4.796281 3.796279 17 H 4.612381 5.388131 4.688804 2.666486 2.169995 18 H 2.181922 1.076091 2.638108 6.634429 5.488567 19 H 1.933276 2.997645 0.945323 6.322568 5.199526 20 H 2.560045 2.746268 2.188590 5.639130 4.559774 21 H 3.828827 4.311731 3.423650 4.852307 3.994988 22 C 3.993848 3.825960 4.194603 5.287478 4.433780 23 H 4.654216 4.299348 4.653798 6.281703 5.452699 24 H 4.732029 4.738307 4.969263 4.782865 4.127883 25 H 3.848261 3.393691 4.361534 5.528298 4.641274 6 7 8 9 10 6 N 0.000000 7 C 1.350027 0.000000 8 S 2.608905 1.672380 0.000000 9 N 2.300109 1.360603 2.691187 0.000000 10 C 2.668039 2.402446 3.978532 1.407519 0.000000 11 C 2.354996 2.792809 4.460785 2.391172 1.335885 12 H 3.710326 2.389689 2.386735 2.031018 3.323013 13 H 5.589821 4.313472 4.379386 3.461639 4.303430 14 H 4.589512 3.416713 3.518680 2.791458 3.684712 15 H 0.998291 1.997152 2.653828 3.189015 3.664510 16 C 4.173941 3.787453 5.218764 2.547744 1.518454 17 H 3.332210 3.865313 5.530760 3.371674 2.100283 18 H 5.141401 4.102954 4.739477 2.954071 3.274130 19 H 4.755636 3.728296 4.253471 2.909009 3.538165 20 H 4.708685 4.043610 5.265934 2.689699 2.149792 21 H 4.646457 4.468600 5.996552 3.318308 2.092889 22 C 4.862077 4.583707 5.932387 3.495554 2.552687 23 H 5.914400 5.574828 6.877079 4.399640 3.478032 24 H 4.798880 4.822119 6.278330 3.931799 2.799330 25 H 4.816229 4.410321 5.554269 3.434278 2.865573 11 12 13 14 15 11 C 0.000000 12 H 4.379472 0.000000 13 H 5.607228 2.363599 0.000000 14 H 4.836488 2.404699 1.751502 0.000000 15 H 3.259661 4.298873 6.287514 5.219153 0.000000 16 C 2.441096 4.027273 4.195443 3.873037 5.165558 17 H 1.074724 5.349800 6.363666 5.640018 4.156830 18 H 4.564143 3.017655 1.746097 1.763940 5.980263 19 H 4.608483 2.134602 3.016038 3.872030 5.505290 20 H 3.307638 3.623947 3.433482 3.531085 5.690430 21 H 2.565437 4.824055 5.103181 4.929388 5.632777 22 C 3.156217 5.000398 4.756539 4.092872 5.783666 23 H 4.111448 5.701403 5.085850 4.675577 6.850269 24 H 2.915865 5.683705 5.724534 4.895777 5.665740 25 H 3.577062 4.766573 4.354754 3.415863 5.665258 16 17 18 19 20 16 C 0.000000 17 H 2.621785 0.000000 18 H 2.784558 5.136401 0.000000 19 H 3.781711 5.347053 3.438838 0.000000 20 H 1.075778 3.615040 2.156856 3.094878 0.000000 21 H 1.080284 2.381862 3.757365 4.203901 1.722897 22 C 1.538198 3.101762 3.065882 5.128624 2.206736 23 H 2.158690 3.918919 3.359600 5.581058 2.502062 24 H 2.150680 2.586885 4.077388 5.871021 3.070084 25 H 2.218921 3.744465 2.690561 5.295054 2.670773 21 22 23 24 25 21 H 0.000000 22 C 2.108639 0.000000 23 H 2.452868 1.084485 0.000000 24 H 2.381392 1.084208 1.754836 0.000000 25 H 3.048912 1.077780 1.746600 1.742430 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.472778 1.126625 -0.372912 2 6 0 2.535221 1.178891 0.709725 3 8 0 2.036941 0.651224 -1.543663 4 8 0 -3.237816 -1.642014 -0.186361 5 6 0 -2.168978 -1.118951 -0.221466 6 7 0 -2.044223 0.233657 0.079498 7 6 0 -0.923350 0.985995 0.093826 8 16 0 -1.044860 2.613521 0.458856 9 7 0 0.246899 0.320705 -0.104026 10 6 0 0.254869 -1.079082 -0.251148 11 6 0 -0.883008 -1.775305 -0.322566 12 1 0 1.098278 2.127494 -0.472400 13 1 0 3.277512 1.910429 0.416657 14 1 0 2.082582 1.507369 1.632159 15 1 0 -2.894528 0.719587 0.272992 16 6 0 1.553283 -1.864586 -0.198191 17 1 0 -0.868923 -2.846994 -0.402038 18 1 0 3.037206 0.239394 0.862471 19 1 0 1.973623 1.295493 -2.232534 20 1 0 2.377535 -1.262520 -0.537928 21 1 0 1.449035 -2.663087 -0.918291 22 6 0 1.794880 -2.547821 1.158597 23 1 0 2.730355 -3.095601 1.128099 24 1 0 0.996254 -3.257587 1.342812 25 1 0 1.832944 -1.879118 2.002988 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7858181 0.6985230 0.4257038 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.4209426146 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.10D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999950 -0.007213 -0.002447 0.006443 Ang= -1.14 deg. B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999682 0.002870 0.002053 0.024982 Ang= 2.89 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.075749026 A.U. after 13 cycles NFock= 13 Conv=0.51D-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 0.002300425 0.001225923 0.000411044 2 6 -0.006393234 0.008835476 0.000461708 3 8 0.005290417 -0.008388108 -0.005583581 4 8 -0.002278319 0.000184624 -0.011974946 5 6 -0.003743945 0.005465371 0.025156933 6 7 0.006534596 -0.002840410 -0.007447616 7 6 -0.009992213 0.001956716 0.007054355 8 16 0.005851213 0.005180351 -0.002268131 9 7 -0.001038318 -0.007437021 0.003107262 10 6 -0.003284080 0.002732898 0.006071019 11 6 0.003169782 -0.002668346 -0.007671330 12 1 0.000456702 -0.004358046 -0.004222251 13 1 0.000598995 -0.000417477 -0.001621964 14 1 -0.000453866 0.001965379 0.004468692 15 1 0.000189900 0.000173709 -0.000830715 16 6 0.001801668 -0.001543885 -0.002769882 17 1 0.002613386 0.001563336 -0.001364716 18 1 -0.002953615 -0.001271919 0.001499372 19 1 -0.000477013 0.001516866 -0.003250535 20 1 -0.003320277 -0.000669958 0.004662998 21 1 0.001295024 -0.002360866 -0.003325002 22 6 -0.001737299 -0.001079322 -0.003418121 23 1 0.000050751 -0.000502812 -0.000294491 24 1 -0.000345731 -0.000373723 0.002243544 25 1 0.005865049 0.003111245 0.000906354 ------------------------------------------------------------------- Cartesian Forces: Max 0.025156933 RMS 0.004949233 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.018603938 RMS 0.003583212 Search for a local minimum. Step number 19 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 16 19 15 ITU= 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.99599. Iteration 1 RMS(Cart)= 0.07758225 RMS(Int)= 0.00334110 Iteration 2 RMS(Cart)= 0.00403970 RMS(Int)= 0.00000943 Iteration 3 RMS(Cart)= 0.00001160 RMS(Int)= 0.00000206 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000206 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86817 0.00160 0.00033 0.00000 0.00033 2.86850 R2 2.61503 0.01031 0.02272 0.00000 0.02272 2.63775 R3 2.81854 -0.00287 -0.00613 0.00000 -0.00613 2.81240 R4 2.02817 -0.00107 -0.00092 0.00000 -0.00092 2.02725 R5 2.04583 0.00054 0.00270 0.00000 0.00270 2.04852 R6 2.03851 0.00399 0.00708 0.00000 0.00708 2.04559 R7 2.03352 0.00336 0.00767 0.00000 0.00767 2.04119 R8 1.78640 0.00178 -0.00090 0.00000 -0.00090 1.78550 R9 2.24968 0.00685 0.00512 0.00000 0.00512 2.25481 R10 2.62916 -0.00049 -0.00283 0.00000 -0.00283 2.62633 R11 2.73504 -0.00010 -0.00231 0.00000 -0.00231 2.73273 R12 2.55118 -0.00303 -0.00685 0.00000 -0.00685 2.54433 R13 1.88650 0.00042 0.00078 0.00000 0.00078 1.88728 R14 3.16034 0.00735 0.01855 0.00000 0.01855 3.17889 R15 2.57117 0.00548 0.00494 0.00000 0.00494 2.57611 R16 2.65983 -0.00276 -0.00311 0.00000 -0.00311 2.65671 R17 2.52446 0.00067 0.00024 0.00000 0.00024 2.52470 R18 2.86946 0.00128 -0.00008 0.00000 -0.00008 2.86938 R19 2.03093 -0.00298 -0.00652 0.00000 -0.00652 2.02441 R20 2.03292 -0.00189 -0.00471 0.00000 -0.00471 2.02821 R21 2.04144 0.00250 0.00552 0.00000 0.00552 2.04696 R22 2.90677 -0.00232 -0.00313 0.00000 -0.00313 2.90365 R23 2.04938 0.00031 0.00094 0.00000 0.00094 2.05032 R24 2.04886 -0.00034 -0.00150 0.00000 -0.00150 2.04736 R25 2.03671 0.00502 0.01230 0.00000 0.01230 2.04901 A1 1.90703 0.00919 0.04600 0.00000 0.04600 1.95303 A2 2.05483 -0.01860 -0.07213 0.00000 -0.07213 1.98270 A3 1.85278 0.00496 0.03684 0.00000 0.03684 1.88962 A4 1.87756 0.00635 0.00646 0.00000 0.00646 1.88402 A5 1.96514 -0.00719 -0.03879 0.00000 -0.03878 1.92636 A6 1.80679 0.00412 0.01711 0.00000 0.01710 1.82390 A7 1.88613 -0.00280 0.00643 0.00000 0.00643 1.89255 A8 1.90363 0.00432 0.00926 0.00000 0.00926 1.91288 A9 1.97984 -0.00059 -0.00771 0.00000 -0.00771 1.97213 A10 1.88959 -0.00015 0.00487 0.00000 0.00487 1.89447 A11 1.88444 0.00122 0.00195 0.00000 0.00195 1.88638 A12 1.91794 -0.00206 -0.01411 0.00000 -0.01411 1.90383 A13 1.93379 -0.00050 -0.01771 0.00000 -0.01771 1.91608 A14 2.09588 0.00052 0.00492 0.00000 0.00493 2.10081 A15 2.21497 0.00043 0.00233 0.00000 0.00234 2.21731 A16 1.95662 0.00050 0.00634 0.00000 0.00635 1.96297 A17 2.23766 -0.00075 -0.00647 0.00000 -0.00647 2.23119 A18 2.02504 0.00030 0.00431 0.00000 0.00431 2.02935 A19 2.01957 0.00047 0.00246 0.00000 0.00246 2.02204 A20 2.07638 -0.00428 -0.00782 0.00000 -0.00782 2.06857 A21 2.02647 0.00058 0.00538 0.00000 0.00538 2.03185 A22 2.17741 0.00396 0.00517 0.00000 0.00517 2.18258 A23 2.05887 0.00099 -0.00622 0.00000 -0.00622 2.05265 A24 2.11049 -0.00130 0.00702 0.00000 0.00702 2.11751 A25 2.10174 0.00039 0.00194 0.00000 0.00194 2.10369 A26 2.11656 -0.00213 -0.00979 0.00000 -0.00979 2.10677 A27 2.11257 -0.00275 -0.00612 0.00000 -0.00612 2.10646 A28 2.04947 0.00499 0.01628 0.00000 0.01628 2.06575 A29 2.11383 0.00187 0.00524 0.00000 0.00524 2.11907 A30 2.05898 -0.00202 -0.00991 0.00000 -0.00991 2.04907 A31 2.10888 0.00016 0.00422 0.00000 0.00422 2.11310 A32 1.93332 0.00586 0.01998 0.00000 0.01999 1.95331 A33 1.85106 -0.00001 0.01675 0.00000 0.01675 1.86781 A34 1.97669 -0.00502 -0.02971 0.00000 -0.02971 1.94699 A35 1.85157 -0.00116 0.00205 0.00000 0.00204 1.85362 A36 1.98975 -0.00509 -0.05544 0.00000 -0.05544 1.93432 A37 1.84919 0.00605 0.05437 0.00000 0.05437 1.90355 A38 1.91244 -0.00002 0.00321 0.00000 0.00321 1.91565 A39 1.90176 0.00471 0.03541 0.00000 0.03541 1.93717 A40 2.00536 -0.00701 -0.04941 0.00000 -0.04941 1.95595 A41 1.88547 -0.00117 0.00229 0.00000 0.00229 1.88776 A42 1.88069 0.00257 0.00421 0.00000 0.00421 1.88490 A43 1.87451 0.00112 0.00577 0.00000 0.00576 1.88028 D1 1.13513 -0.00158 -0.08062 0.00000 -0.08062 1.05451 D2 -3.09747 -0.00096 -0.06593 0.00000 -0.06593 3.11979 D3 -0.95363 -0.00083 -0.08263 0.00000 -0.08263 -1.03626 D4 -3.00069 0.00080 -0.08908 0.00000 -0.08908 -3.08978 D5 -0.95011 0.00142 -0.07439 0.00000 -0.07439 -1.02450 D6 1.19373 0.00155 -0.09109 0.00000 -0.09109 1.10263 D7 -0.98836 -0.00101 -0.08394 0.00000 -0.08394 -1.07229 D8 1.06223 -0.00038 -0.06925 0.00000 -0.06925 0.99298 D9 -3.07712 -0.00026 -0.08595 0.00000 -0.08595 3.12012 D10 -2.07465 -0.00857 0.12277 0.00000 0.12277 -1.95188 D11 1.95902 0.00413 0.17814 0.00000 0.17814 2.13716 D12 -0.02053 -0.00080 0.17423 0.00000 0.17423 0.15370 D13 1.91430 -0.00225 -0.07972 0.00000 -0.07972 1.83457 D14 -1.39301 -0.00163 -0.05969 0.00000 -0.05969 -1.45270 D15 -2.20668 0.00183 -0.06542 0.00000 -0.06542 -2.27209 D16 0.76921 0.00245 -0.04538 0.00000 -0.04538 0.72382 D17 -0.12301 -0.00145 -0.09834 0.00000 -0.09834 -0.22135 D18 2.85287 -0.00083 -0.07831 0.00000 -0.07831 2.77457 D19 3.13887 0.00381 0.05717 0.00000 0.05717 -3.08715 D20 -0.05102 0.00431 0.06604 0.00000 0.06604 0.01502 D21 0.17404 -0.00427 -0.05479 0.00000 -0.05479 0.11926 D22 -3.01584 -0.00377 -0.04592 0.00000 -0.04592 -3.06176 D23 -3.05216 -0.00555 -0.08307 0.00000 -0.08307 -3.13523 D24 0.03114 -0.00509 -0.09104 0.00000 -0.09104 -0.05990 D25 -0.10203 0.00322 0.03833 0.00000 0.03833 -0.06370 D26 2.98126 0.00368 0.03036 0.00000 0.03036 3.01162 D27 3.11745 -0.00038 -0.00101 0.00000 -0.00101 3.11645 D28 -0.10230 0.00321 0.05744 0.00000 0.05744 -0.04486 D29 0.02403 -0.00088 -0.00989 0.00000 -0.00989 0.01413 D30 3.08746 0.00271 0.04856 0.00000 0.04856 3.13602 D31 2.92889 -0.00067 -0.02093 0.00000 -0.02093 2.90796 D32 -0.04785 -0.00112 -0.04131 0.00000 -0.04131 -0.08917 D33 -0.29594 0.00273 0.04116 0.00000 0.04116 -0.25479 D34 3.01049 0.00228 0.02078 0.00000 0.02078 3.03127 D35 -2.86470 -0.00017 0.01164 0.00000 0.01164 -2.85307 D36 0.38220 -0.00171 0.00638 0.00000 0.00638 0.38857 D37 0.10712 0.00052 0.03150 0.00000 0.03150 0.13862 D38 -2.92916 -0.00102 0.02624 0.00000 0.02624 -2.90292 D39 -0.02420 -0.00181 -0.03097 0.00000 -0.03097 -0.05517 D40 -3.10583 -0.00222 -0.02224 0.00000 -0.02224 -3.12807 D41 3.01576 -0.00077 -0.02709 0.00000 -0.02709 2.98867 D42 -0.06588 -0.00117 -0.01836 0.00000 -0.01836 -0.08423 D43 -0.50242 0.00200 0.01298 0.00000 0.01297 -0.48944 D44 -2.50398 0.00049 -0.00931 0.00000 -0.00931 -2.51330 D45 1.75842 -0.00417 -0.06934 0.00000 -0.06934 1.68908 D46 2.74057 0.00092 0.00932 0.00000 0.00932 2.74989 D47 0.73900 -0.00059 -0.01297 0.00000 -0.01297 0.72604 D48 -1.28178 -0.00525 -0.07299 0.00000 -0.07299 -1.35477 D49 3.13424 0.00150 0.04612 0.00000 0.04612 -3.10282 D50 1.07470 0.00016 0.01986 0.00000 0.01986 1.09456 D51 -1.02910 -0.00007 0.02052 0.00000 0.02052 -1.00858 D52 -0.91713 0.00072 0.00340 0.00000 0.00339 -0.91373 D53 -2.97667 -0.00061 -0.02286 0.00000 -0.02287 -2.99953 D54 1.20272 -0.00084 -0.02221 0.00000 -0.02221 1.18051 D55 1.11234 0.00042 0.00856 0.00000 0.00856 1.12090 D56 -0.94720 -0.00091 -0.01771 0.00000 -0.01770 -0.96490 D57 -3.05099 -0.00115 -0.01705 0.00000 -0.01705 -3.06804 Item Value Threshold Converged? Maximum Force 0.018604 0.000450 NO RMS Force 0.003583 0.000300 NO Maximum Displacement 0.330292 0.001800 NO RMS Displacement 0.078550 0.001200 NO Predicted change in Energy=-6.920980D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.003943 -4.988514 2.109138 2 6 0 7.166729 -5.203340 3.602961 3 8 0 6.957327 -6.196575 1.411443 4 8 0 2.851658 -2.214633 -0.091354 5 6 0 3.677666 -2.859571 0.479147 6 7 0 4.915346 -2.305297 0.783218 7 6 0 5.969458 -2.907560 1.365392 8 16 0 7.378646 -2.017354 1.592338 9 7 0 5.791917 -4.203696 1.748628 10 6 0 4.532123 -4.816749 1.632172 11 6 0 3.528586 -4.199481 1.002230 12 1 0 7.824302 -4.389456 1.764199 13 1 0 8.096283 -5.734299 3.773651 14 1 0 7.220517 -4.245239 4.103871 15 1 0 5.053007 -1.354511 0.510324 16 6 0 4.244192 -6.134720 2.329032 17 1 0 2.562859 -4.655950 0.920796 18 1 0 6.364921 -5.783502 4.035671 19 1 0 7.733385 -6.289419 0.880552 20 1 0 5.133170 -6.721992 2.458533 21 1 0 3.597765 -6.705369 1.673424 22 6 0 3.531473 -5.918737 3.673037 23 1 0 3.375311 -6.874070 4.163078 24 1 0 2.564847 -5.451108 3.529002 25 1 0 4.106569 -5.288860 4.342518 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517945 0.000000 3 O 1.395837 2.415184 0.000000 4 O 5.456927 6.418737 5.913610 0.000000 5 C 4.272399 5.236891 4.770844 1.193192 0.000000 6 N 3.649652 4.627995 4.439190 2.243191 1.389795 7 C 2.440019 3.422102 3.434477 3.510404 2.457650 8 S 3.038960 3.773330 4.204298 4.833980 3.955474 9 N 1.488259 2.515541 2.333119 3.998379 2.808614 10 C 2.523271 3.312796 2.798974 3.544787 2.426955 11 C 3.731746 4.583408 3.988999 2.365117 1.446098 12 H 1.072773 2.115622 2.035132 5.735863 4.602879 13 H 2.126030 1.084031 2.662883 7.404891 6.216268 14 H 2.139701 1.082479 3.335588 6.388287 5.254569 15 H 4.423612 5.370821 5.280534 2.438804 2.039053 16 C 2.996393 3.321384 2.864769 4.812952 3.803897 17 H 4.609336 5.356236 4.682479 2.658549 2.159821 18 H 2.179882 1.080149 2.721791 6.489390 5.331001 19 H 1.932321 2.985327 0.944844 6.432709 5.326710 20 H 2.574260 2.784131 2.167951 5.658932 4.577637 21 H 3.839204 4.326281 3.407956 4.882399 4.027759 22 C 3.920350 3.705643 4.114423 5.324770 4.425020 23 H 4.576130 4.180900 4.567421 6.331252 5.457011 24 H 4.683544 4.609141 4.932916 4.864567 4.154040 25 H 3.670555 3.149419 4.188314 5.539395 4.583780 6 7 8 9 10 6 N 0.000000 7 C 1.346402 0.000000 8 S 2.608723 1.682196 0.000000 9 N 2.303110 1.363217 2.705962 0.000000 10 C 2.678615 2.404602 3.992605 1.405873 0.000000 11 C 2.357754 2.785463 4.464624 2.383233 1.336014 12 H 3.710535 2.407387 2.419714 2.040916 3.322417 13 H 5.551496 4.279434 4.369074 3.428347 4.258059 14 H 4.483740 3.294511 3.360993 2.754958 3.696402 15 H 0.998707 1.995741 2.649286 3.193312 3.676542 16 C 4.183835 3.784140 5.226876 2.541885 1.518409 17 H 3.328467 3.854795 5.532175 3.364023 2.099979 18 H 4.977713 3.944341 4.602324 2.838078 3.173416 19 H 4.880989 3.844929 4.345460 2.978774 3.603022 20 H 4.728777 4.055149 5.284513 2.698097 2.161962 21 H 4.678581 4.488114 6.023215 3.328412 2.107512 22 C 4.829401 4.509566 5.860959 3.428458 2.526026 23 H 5.888026 5.503622 6.798756 4.335948 3.460674 24 H 4.791691 4.768881 6.222057 3.890983 2.805450 25 H 4.714275 4.243139 5.382632 3.278146 2.783876 11 12 13 14 15 11 C 0.000000 12 H 4.366906 0.000000 13 H 5.558804 2.433203 0.000000 14 H 4.822098 2.420624 1.758781 0.000000 15 H 3.264917 4.296880 6.252470 5.095880 0.000000 16 C 2.453090 4.022707 4.133506 3.946987 5.178058 17 H 1.071272 5.335272 6.318259 5.656361 4.155577 18 H 4.444737 3.038543 1.751768 1.761519 5.810779 19 H 4.697125 2.097369 2.968144 3.851168 5.628038 20 H 3.325444 3.628363 3.388969 3.632969 5.710674 21 H 2.595142 4.820301 5.058714 5.008357 5.665881 22 C 3.176329 4.940723 4.569642 4.073728 5.757602 23 H 4.143414 5.632180 4.872197 4.658312 6.828090 24 H 2.979923 5.648319 5.544081 4.843538 5.664403 25 H 3.560666 4.612830 4.054608 3.292837 5.573201 16 17 18 19 20 16 C 0.000000 17 H 2.645140 0.000000 18 H 2.744716 5.042766 0.000000 19 H 3.781071 5.422562 3.476122 0.000000 20 H 1.073285 3.638634 2.210281 3.072175 0.000000 21 H 1.083203 2.416111 3.753292 4.231431 1.724570 22 C 1.536544 3.179257 2.859758 5.058798 2.164641 23 H 2.159934 4.011549 3.184861 5.487222 2.453298 24 H 2.174270 2.726723 3.848085 5.867779 3.058976 25 H 2.188275 3.806809 2.332162 5.112741 2.580150 21 22 23 24 25 21 H 0.000000 22 C 2.149799 0.000000 23 H 2.505259 1.084982 0.000000 24 H 2.466426 1.083415 1.756054 0.000000 25 H 3.064220 1.084290 1.754944 1.750726 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.453556 1.126308 -0.415195 2 6 0 2.429609 1.208076 0.744457 3 8 0 2.054613 0.614918 -1.566529 4 8 0 -3.228366 -1.669232 -0.208747 5 6 0 -2.155708 -1.147535 -0.178039 6 7 0 -2.042543 0.210730 0.093694 7 6 0 -0.923723 0.959607 0.108681 8 16 0 -1.062251 2.604110 0.434570 9 7 0 0.248495 0.303351 -0.122817 10 6 0 0.269479 -1.096128 -0.255090 11 6 0 -0.868859 -1.792971 -0.314532 12 1 0 1.068394 2.110248 -0.600548 13 1 0 3.243839 1.865414 0.461511 14 1 0 1.932050 1.628719 1.608897 15 1 0 -2.895868 0.699065 0.269143 16 6 0 1.580805 -1.859890 -0.203544 17 1 0 -0.859624 -2.860549 -0.402932 18 1 0 2.849822 0.249297 1.010700 19 1 0 2.115355 1.291635 -2.223108 20 1 0 2.406162 -1.261951 -0.539988 21 1 0 1.497014 -2.681318 -0.904660 22 6 0 1.850928 -2.423634 1.200092 23 1 0 2.811015 -2.928835 1.213938 24 1 0 1.088690 -3.139202 1.484246 25 1 0 1.871001 -1.645334 1.954765 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7924966 0.6986576 0.4301764 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.7966420943 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000030 -0.000011 0.000020 Ang= -0.00 deg. B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999951 0.007183 0.002436 -0.006422 Ang= 1.14 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.079881004 A.U. after 5 cycles NFock= 5 Conv=0.79D-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 -0.002492229 -0.001509818 -0.000167019 2 6 -0.000587999 0.001122813 0.000121138 3 8 0.001939528 -0.000602820 0.003001423 4 8 -0.000271839 -0.000138054 -0.002300299 5 6 -0.001415679 0.001467517 0.004752584 6 7 0.001134889 -0.000532111 -0.001343915 7 6 -0.001093446 -0.000211593 0.000872987 8 16 0.000721506 0.001114930 -0.000412046 9 7 0.000946215 0.000125760 -0.000977566 10 6 -0.000327386 0.000948470 0.002082736 11 6 0.000989891 -0.000487297 -0.001341382 12 1 -0.000015346 -0.001309286 -0.000061682 13 1 0.000220535 0.000009784 0.000018233 14 1 0.000013257 0.000300799 0.000424668 15 1 -0.000094561 -0.000047075 -0.000187115 16 6 0.000043501 -0.000209125 -0.000658426 17 1 0.000151777 -0.000208281 -0.000278447 18 1 0.000249294 -0.000331405 -0.000359143 19 1 0.000483259 0.000661195 -0.002993931 20 1 -0.000099036 -0.000508024 0.000198455 21 1 -0.000167803 0.000213643 -0.000074130 22 6 -0.000294647 0.000074648 -0.000428003 23 1 -0.000010676 0.000021352 -0.000014595 24 1 -0.000104403 0.000054760 0.000304268 25 1 0.000081400 -0.000020783 -0.000178792 ------------------------------------------------------------------- Cartesian Forces: Max 0.004752584 RMS 0.001073282 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002042613 RMS 0.000641238 Search for a local minimum. Step number 20 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 13 14 16 19 15 20 ITU= 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- -0.07218 0.00004 0.00232 0.00270 0.00582 Eigenvalues --- 0.01109 0.01729 0.01881 0.01935 0.02049 Eigenvalues --- 0.02268 0.02346 0.03969 0.04308 0.04760 Eigenvalues --- 0.05310 0.05347 0.05495 0.05548 0.05844 Eigenvalues --- 0.06095 0.06349 0.08516 0.09246 0.12697 Eigenvalues --- 0.14208 0.15229 0.15828 0.15984 0.15997 Eigenvalues --- 0.16022 0.16080 0.16253 0.16428 0.17006 Eigenvalues --- 0.21893 0.22867 0.23402 0.24697 0.24789 Eigenvalues --- 0.24832 0.26366 0.27430 0.28536 0.29163 Eigenvalues --- 0.30212 0.30340 0.32673 0.34398 0.34777 Eigenvalues --- 0.34821 0.34838 0.34855 0.34922 0.34949 Eigenvalues --- 0.35858 0.36098 0.38194 0.41899 0.42645 Eigenvalues --- 0.43038 0.43371 0.45404 0.47816 0.49356 Eigenvalues --- 0.56264 0.62033 0.86866 1.12794 RFO step: Lambda=-7.25527881D-02 EMin=-7.21831088D-02 I= 1 Eig= -7.22D-02 Dot1= 3.11D-03 I= 1 Stepn= 6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 3.11D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 2.59D-04. Quartic linear search produced a step of -0.00760. Maximum step size ( 0.296) exceeded in Quadratic search. -- Step size not scaled. Iteration 1 RMS(Cart)= 0.13700586 RMS(Int)= 0.00611513 Iteration 2 RMS(Cart)= 0.00811046 RMS(Int)= 0.00205110 Iteration 3 RMS(Cart)= 0.00003385 RMS(Int)= 0.00205095 Iteration 4 RMS(Cart)= 0.00000011 RMS(Int)= 0.00205095 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86850 0.00003 0.00000 -0.01331 -0.01331 2.85519 R2 2.63775 -0.00014 0.00000 -0.04252 -0.04252 2.59523 R3 2.81240 0.00072 -0.00000 0.05629 0.05629 2.86869 R4 2.02725 -0.00072 -0.00000 -0.02832 -0.02832 1.99893 R5 2.04852 0.00019 0.00000 0.00854 0.00854 2.05706 R6 2.04559 0.00046 0.00000 0.00253 0.00253 2.04812 R7 2.04119 -0.00015 0.00000 -0.01082 -0.01082 2.03037 R8 1.78550 0.00201 -0.00000 0.09215 0.09215 1.87765 R9 2.25481 0.00121 0.00000 0.01995 0.01995 2.27476 R10 2.62633 -0.00016 -0.00000 0.00333 0.00354 2.62987 R11 2.73273 -0.00026 -0.00000 -0.01070 -0.01027 2.72246 R12 2.54433 -0.00004 -0.00000 0.02050 0.02034 2.56467 R13 1.88728 -0.00001 0.00000 0.00398 0.00398 1.89126 R14 3.17889 0.00114 0.00000 0.04391 0.04391 3.22280 R15 2.57611 0.00123 0.00000 0.03964 0.03923 2.61534 R16 2.65671 0.00060 -0.00000 -0.00900 -0.00926 2.64745 R17 2.52470 -0.00001 0.00000 0.00042 0.00061 2.52531 R18 2.86938 0.00004 -0.00000 0.00832 0.00832 2.87769 R19 2.02441 -0.00003 -0.00000 0.00119 0.00119 2.02560 R20 2.02821 0.00022 -0.00000 0.02688 0.02688 2.05509 R21 2.04696 0.00003 0.00000 -0.00538 -0.00538 2.04158 R22 2.90365 -0.00011 -0.00000 -0.00117 -0.00117 2.90247 R23 2.05032 -0.00002 0.00000 -0.00125 -0.00125 2.04907 R24 2.04736 0.00008 -0.00000 0.00538 0.00538 2.05274 R25 2.04901 -0.00008 0.00000 -0.02046 -0.02046 2.02855 A1 1.95303 0.00025 0.00000 -0.06291 -0.07318 1.87985 A2 1.98270 -0.00107 -0.00000 0.05649 0.05383 2.03653 A3 1.88962 0.00042 0.00000 -0.03891 -0.04171 1.84791 A4 1.88402 0.00175 0.00000 0.16001 0.16026 2.04427 A5 1.92636 -0.00111 -0.00000 -0.06444 -0.06686 1.85950 A6 1.82390 -0.00032 0.00000 -0.05395 -0.04980 1.77409 A7 1.89255 -0.00008 0.00000 0.00804 0.00803 1.90058 A8 1.91288 0.00047 0.00000 0.00200 0.00204 1.91492 A9 1.97213 -0.00041 -0.00000 -0.02190 -0.02188 1.95024 A10 1.89447 -0.00014 0.00000 -0.01671 -0.01670 1.87777 A11 1.88638 0.00005 0.00000 -0.00534 -0.00537 1.88101 A12 1.90383 0.00010 -0.00000 0.03334 0.03341 1.93723 A13 1.91608 0.00043 -0.00000 0.07332 0.07332 1.98940 A14 2.10081 0.00039 0.00000 0.02600 0.02043 2.12123 A15 2.21731 0.00009 -0.00000 0.01331 0.00796 2.22527 A16 1.96297 -0.00037 0.00000 -0.02816 -0.03192 1.93105 A17 2.23119 0.00020 -0.00000 0.01860 0.01908 2.25026 A18 2.02935 -0.00024 0.00000 -0.02179 -0.02206 2.00728 A19 2.02204 0.00004 0.00000 0.00378 0.00344 2.02548 A20 2.06857 -0.00138 -0.00000 -0.05781 -0.05930 2.00927 A21 2.03185 0.00038 0.00000 0.00895 0.00694 2.03879 A22 2.18258 0.00101 0.00000 0.05094 0.04865 2.23123 A23 2.05265 -0.00049 -0.00000 0.04002 0.03975 2.09240 A24 2.11751 0.00131 0.00000 -0.00199 -0.00227 2.11524 A25 2.10369 -0.00082 0.00000 -0.03838 -0.03797 2.06571 A26 2.10677 -0.00014 -0.00000 0.01823 0.01754 2.12431 A27 2.10646 0.00204 -0.00000 0.07592 0.07478 2.18124 A28 2.06575 -0.00186 0.00000 -0.08697 -0.08821 1.97754 A29 2.11907 0.00081 0.00000 0.02747 0.02825 2.14732 A30 2.04907 -0.00033 -0.00000 0.00279 0.00207 2.05115 A31 2.11310 -0.00048 0.00000 -0.02822 -0.02886 2.08424 A32 1.95331 0.00061 0.00000 0.01104 0.00957 1.96288 A33 1.86781 -0.00012 0.00000 -0.02644 -0.02679 1.84102 A34 1.94699 -0.00046 -0.00000 0.01599 0.01487 1.96185 A35 1.85362 -0.00004 0.00000 0.00197 0.00280 1.85641 A36 1.93432 -0.00008 -0.00000 0.04484 0.04423 1.97855 A37 1.90355 0.00010 0.00000 -0.05335 -0.05318 1.85037 A38 1.91565 -0.00002 0.00000 -0.00398 -0.00398 1.91167 A39 1.93717 0.00052 0.00000 0.00216 0.00214 1.93930 A40 1.95595 -0.00036 -0.00000 0.01969 0.01967 1.97562 A41 1.88776 -0.00017 0.00000 -0.00177 -0.00177 1.88598 A42 1.88490 0.00011 0.00000 -0.00691 -0.00691 1.87799 A43 1.88028 -0.00009 0.00000 -0.01014 -0.01019 1.87009 D1 1.05451 -0.00086 -0.00000 -0.14381 -0.14086 0.91365 D2 3.11979 -0.00080 -0.00000 -0.15811 -0.15516 2.96463 D3 -1.03626 -0.00061 -0.00000 -0.12885 -0.12593 -1.16220 D4 -3.08978 0.00084 -0.00000 0.06253 0.06112 -3.02865 D5 -1.02450 0.00090 -0.00000 0.04823 0.04683 -0.97767 D6 1.10263 0.00110 -0.00000 0.07749 0.07605 1.17868 D7 -1.07229 0.00009 -0.00000 0.00347 0.00195 -1.07034 D8 0.99298 0.00015 -0.00000 -0.01083 -0.01234 0.98064 D9 3.12012 0.00035 -0.00000 0.01844 0.01688 3.13699 D10 -1.95188 -0.00127 0.00000 0.01576 0.01270 -1.93918 D11 2.13716 -0.00134 0.00001 -0.12967 -0.12997 2.00719 D12 0.15370 -0.00134 0.00001 -0.12003 -0.11666 0.03704 D13 1.83457 -0.00035 -0.00000 -0.05673 -0.06095 1.77363 D14 -1.45270 -0.00044 -0.00000 -0.06265 -0.06792 -1.52062 D15 -2.27209 0.00054 -0.00000 0.02209 0.02784 -2.24425 D16 0.72382 0.00046 -0.00000 0.01618 0.02086 0.74468 D17 -0.22135 -0.00009 -0.00000 -0.00518 -0.00513 -0.22647 D18 2.77457 -0.00018 -0.00000 -0.01109 -0.01210 2.76246 D19 -3.08715 0.00083 0.00000 0.06235 0.06269 -3.02446 D20 0.01502 0.00091 0.00000 0.08125 0.08211 0.09713 D21 0.11926 -0.00081 -0.00000 -0.10993 -0.10788 0.01138 D22 -3.06176 -0.00073 -0.00000 -0.09103 -0.08846 3.13297 D23 -3.13523 -0.00102 -0.00000 -0.10768 -0.10653 3.04143 D24 -0.05990 -0.00091 -0.00000 -0.07424 -0.07374 -0.13365 D25 -0.06370 0.00077 0.00000 0.07897 0.07718 0.01348 D26 3.01162 0.00088 0.00000 0.11242 0.10997 3.12159 D27 3.11645 0.00007 -0.00000 -0.02024 -0.01615 3.10030 D28 -0.04486 0.00050 0.00000 0.08999 0.09083 0.04597 D29 0.01413 -0.00000 -0.00000 -0.03858 -0.03525 -0.02112 D30 3.13602 0.00043 0.00000 0.07165 0.07172 -3.07545 D31 2.90796 0.00000 -0.00000 -0.03680 -0.03854 2.86942 D32 -0.08917 -0.00010 -0.00000 -0.03405 -0.03465 -0.12382 D33 -0.25479 0.00044 0.00000 0.08011 0.08270 -0.17209 D34 3.03127 0.00034 0.00000 0.08285 0.08659 3.11786 D35 -2.85307 0.00015 0.00000 0.01335 0.01524 -2.83782 D36 0.38857 -0.00025 0.00000 -0.06679 -0.06949 0.31909 D37 0.13862 0.00010 0.00000 0.01384 0.01476 0.15338 D38 -2.90292 -0.00030 0.00000 -0.06630 -0.06997 -2.97289 D39 -0.05517 -0.00053 -0.00000 -0.04101 -0.04170 -0.09687 D40 -3.12807 -0.00065 -0.00000 -0.07695 -0.07630 3.07881 D41 2.98867 0.00008 -0.00000 0.04632 0.04239 3.03106 D42 -0.08423 -0.00004 -0.00000 0.01037 0.00779 -0.07645 D43 -0.48944 0.00028 0.00000 0.00130 0.00107 -0.48838 D44 -2.51330 0.00008 -0.00000 0.00878 0.00863 -2.50466 D45 1.68908 0.00028 -0.00000 0.08109 0.08087 1.76995 D46 2.74989 -0.00020 0.00000 -0.08265 -0.08248 2.66741 D47 0.72604 -0.00041 -0.00000 -0.07517 -0.07492 0.65112 D48 -1.35477 -0.00020 -0.00000 -0.00285 -0.00268 -1.35745 D49 -3.10282 -0.00018 0.00000 -0.03584 -0.03609 -3.13891 D50 1.09456 -0.00029 0.00000 -0.03243 -0.03267 1.06189 D51 -1.00858 -0.00029 0.00000 -0.03446 -0.03472 -1.04330 D52 -0.91373 0.00021 0.00000 0.02445 0.02502 -0.88871 D53 -2.99953 0.00010 -0.00000 0.02786 0.02844 -2.97110 D54 1.18051 0.00010 -0.00000 0.02583 0.02638 1.20690 D55 1.12090 0.00017 0.00000 0.02079 0.02048 1.14138 D56 -0.96490 0.00007 -0.00000 0.02420 0.02390 -0.94100 D57 -3.06804 0.00006 -0.00000 0.02217 0.02185 -3.04619 Item Value Threshold Converged? Maximum Force 0.002043 0.000450 NO RMS Force 0.000641 0.000300 NO Maximum Displacement 0.470779 0.001800 NO RMS Displacement 0.135703 0.001200 NO Predicted change in Energy=-1.598556D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.032451 -5.014949 2.146829 2 6 0 7.337979 -5.184278 3.616798 3 8 0 7.147430 -6.247252 1.551634 4 8 0 2.797705 -2.243088 -0.102072 5 6 0 3.618746 -2.829278 0.554654 6 7 0 4.888008 -2.301905 0.772802 7 6 0 5.959006 -2.878213 1.375073 8 16 0 7.374978 -1.927952 1.397985 9 7 0 5.808712 -4.188123 1.795717 10 6 0 4.537884 -4.771948 1.712865 11 6 0 3.525313 -4.164745 1.086926 12 1 0 7.813083 -4.417682 1.755932 13 1 0 8.293996 -5.694149 3.721694 14 1 0 7.432558 -4.211412 4.085039 15 1 0 5.027542 -1.375548 0.420641 16 6 0 4.152998 -6.114874 2.318971 17 1 0 2.584336 -4.669828 0.995132 18 1 0 6.592918 -5.779137 4.112189 19 1 0 7.922416 -6.327219 0.934980 20 1 0 4.999000 -6.793879 2.395813 21 1 0 3.466251 -6.562633 1.615365 22 6 0 3.373350 -5.962021 3.633445 23 1 0 3.126186 -6.942724 4.024455 24 1 0 2.446046 -5.418208 3.477421 25 1 0 3.923110 -5.438957 4.392714 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.510903 0.000000 3 O 1.373335 2.330478 0.000000 4 O 5.538397 6.564654 6.139070 0.000000 5 C 4.354947 5.362411 5.012797 1.203750 0.000000 6 N 3.721182 4.732731 4.612736 2.266767 1.391667 7 C 2.512674 3.499261 3.576863 3.546712 2.480383 8 S 3.194940 3.940578 4.328018 4.827101 3.953843 9 N 1.518044 2.578239 2.468149 4.055974 2.860533 10 C 2.543667 3.411086 3.002041 3.566140 2.441360 11 C 3.761151 4.687869 4.203869 2.374004 1.440665 12 H 1.057787 2.067901 1.957590 5.773651 4.643119 13 H 2.129087 1.088550 2.515890 7.532611 6.332109 14 H 2.135981 1.083819 3.262527 6.548898 5.377646 15 H 4.499402 5.482696 5.431995 2.449087 2.028792 16 C 3.087186 3.562929 3.094018 4.763297 3.767411 17 H 4.607737 5.452972 4.860018 2.671788 2.156769 18 H 2.154023 1.074423 2.661402 6.683359 5.495765 19 H 1.995662 2.973219 0.993610 6.634626 5.558940 20 H 2.713210 3.090703 2.372170 5.638691 4.583998 21 H 3.923718 4.571200 3.695214 4.696277 3.884110 22 C 4.061526 4.040228 4.319603 5.302445 4.399234 23 H 4.743491 4.582305 4.771680 6.262803 5.403941 24 H 4.792516 4.899506 5.147716 4.797690 4.076807 25 H 3.858988 3.511158 4.372793 5.628785 4.651212 6 7 8 9 10 6 N 0.000000 7 C 1.357166 0.000000 8 S 2.591469 1.705431 0.000000 9 N 2.334924 1.383977 2.778444 0.000000 10 C 2.665974 2.391636 4.029462 1.400972 0.000000 11 C 2.329331 2.767861 4.463173 2.390992 1.336336 12 H 3.741539 2.439799 2.553197 2.017866 3.294585 13 H 5.639507 4.346068 4.519785 3.486279 4.358237 14 H 4.592588 3.360459 3.526721 2.806851 3.784250 15 H 1.000811 2.009121 2.602077 3.226706 3.666761 16 C 4.179666 3.824733 5.362805 2.593753 1.522810 17 H 3.311102 3.839614 5.534475 3.357019 2.083726 18 H 5.113645 4.038441 4.775997 2.917593 3.315773 19 H 5.043519 3.993032 4.457309 3.127994 3.805132 20 H 4.777480 4.158842 5.506194 2.793871 2.183404 21 H 4.570023 4.454944 6.066768 3.340352 2.089128 22 C 4.886094 4.614730 6.106064 3.529157 2.541857 23 H 5.934178 5.618215 7.078030 4.444215 3.471110 24 H 4.794736 4.817918 6.387512 3.955852 2.811956 25 H 4.886296 4.450667 5.762894 3.444485 2.829212 11 12 13 14 15 11 C 0.000000 12 H 4.347012 0.000000 13 H 5.658747 2.392670 0.000000 14 H 4.925182 2.368984 1.752885 0.000000 15 H 3.237321 4.335529 6.341686 5.220539 0.000000 16 C 2.390591 4.073536 4.392324 4.183023 5.179738 17 H 1.071901 5.289818 6.409648 5.767401 4.141446 18 H 4.600944 2.982333 1.747391 1.778621 5.955629 19 H 4.902438 2.081405 2.881775 3.826156 5.758809 20 H 3.285922 3.738291 3.718114 3.929991 5.767186 21 H 2.456136 4.849281 5.338353 5.230595 5.547148 22 C 3.120586 5.061745 4.928722 4.443618 5.839023 23 H 4.062702 5.786971 5.325117 5.099860 6.898991 24 H 2.906967 5.724479 5.859551 5.166320 5.687805 25 H 3.565122 4.809107 4.429451 3.730650 5.788646 16 17 18 19 20 16 C 0.000000 17 H 2.510260 0.000000 18 H 3.046566 5.197628 0.000000 19 H 4.021074 5.589781 3.487495 0.000000 20 H 1.087507 3.507720 2.552690 3.301237 0.000000 21 H 1.080357 2.178342 4.077260 4.513951 1.735481 22 C 1.535922 3.041874 3.260102 5.301800 2.206005 23 H 2.156005 3.825761 3.657850 5.738251 2.486375 24 H 2.177392 2.596335 4.210671 6.105812 3.095145 25 H 2.193200 3.731948 2.705973 5.360913 2.642152 21 22 23 24 25 21 H 0.000000 22 C 2.107608 0.000000 23 H 2.462484 1.084323 0.000000 24 H 2.412007 1.086264 1.756697 0.000000 25 H 3.030683 1.073463 1.741269 1.737790 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.564397 1.084259 -0.353626 2 6 0 2.539272 1.234930 0.790816 3 8 0 2.280980 0.722190 -1.467836 4 8 0 -3.283866 -1.592561 -0.300532 5 6 0 -2.195914 -1.102290 -0.142385 6 7 0 -2.038153 0.261634 0.084683 7 6 0 -0.893524 0.987039 0.158919 8 16 0 -1.111856 2.662414 0.391178 9 7 0 0.291360 0.308542 -0.067098 10 6 0 0.244628 -1.085027 -0.203127 11 6 0 -0.914683 -1.743593 -0.293029 12 1 0 1.185937 2.054095 -0.540976 13 1 0 3.342601 1.902381 0.484038 14 1 0 2.040576 1.690584 1.638368 15 1 0 -2.891072 0.774196 0.191606 16 6 0 1.461708 -1.999308 -0.245056 17 1 0 -0.907103 -2.803257 -0.454359 18 1 0 2.980732 0.294261 1.064017 19 1 0 2.321446 1.425769 -2.168266 20 1 0 2.343972 -1.498998 -0.637449 21 1 0 1.213487 -2.777659 -0.951969 22 6 0 1.708595 -2.707229 1.095448 23 1 0 2.584184 -3.341693 1.014470 24 1 0 0.863677 -3.332688 1.369098 25 1 0 1.875036 -2.026577 1.908672 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7603538 0.6809923 0.4081000 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 932.4045635481 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.10D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999788 -0.011273 0.009369 0.014427 Ang= -2.36 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.059872601 A.U. after 15 cycles NFock= 15 Conv=0.45D-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 0.032129009 0.024179629 0.001014533 2 6 -0.006019236 0.009194902 0.006519030 3 8 0.005744631 -0.024611651 -0.038908142 4 8 0.012208795 -0.003725056 0.017580399 5 6 0.002469141 -0.005597250 -0.022844778 6 7 -0.005122666 0.002381646 0.008557310 7 6 0.009904078 -0.000718846 -0.016050598 8 16 -0.007459751 -0.016466046 0.008060979 9 7 -0.000734972 -0.009448982 0.003545501 10 6 -0.010242791 -0.002429183 -0.006573648 11 6 -0.009180436 0.004394307 0.002988725 12 1 0.007137616 0.013916547 -0.002998401 13 1 -0.003901588 0.001460429 -0.004031363 14 1 -0.003714020 -0.001073531 0.003026751 15 1 0.003020200 -0.001564158 0.002580178 16 6 0.010908683 -0.004689026 0.000051196 17 1 -0.000491735 0.002817705 0.000406521 18 1 -0.004803225 -0.001997658 0.005911673 19 1 -0.038483163 0.012950829 0.026747784 20 1 -0.004058576 0.004786919 0.004223644 21 1 0.003317432 -0.002825353 -0.003028479 22 6 -0.000551638 -0.002849707 -0.000426229 23 1 -0.000361587 -0.000563036 -0.000199320 24 1 0.001935321 -0.001433226 -0.001282522 25 1 0.006350477 0.003909797 0.005129256 ------------------------------------------------------------------- Cartesian Forces: Max 0.038908142 RMS 0.011121185 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.047658226 RMS 0.009822812 Search for a local minimum. Step number 21 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 16 19 15 21 20 ITU= 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 0 ITU= 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00781 0.00015 0.00234 0.00574 0.00699 Eigenvalues --- 0.01477 0.01750 0.01927 0.02021 0.02054 Eigenvalues --- 0.02289 0.03683 0.03831 0.04085 0.05229 Eigenvalues --- 0.05294 0.05510 0.05536 0.05619 0.05920 Eigenvalues --- 0.06185 0.06506 0.08340 0.09379 0.13169 Eigenvalues --- 0.15227 0.15591 0.15905 0.16001 0.16010 Eigenvalues --- 0.16043 0.16088 0.16269 0.16548 0.20835 Eigenvalues --- 0.22069 0.23018 0.23573 0.24665 0.24800 Eigenvalues --- 0.25246 0.27038 0.27807 0.28553 0.29191 Eigenvalues --- 0.30037 0.31377 0.33517 0.34536 0.34808 Eigenvalues --- 0.34821 0.34843 0.34884 0.34926 0.34965 Eigenvalues --- 0.36108 0.36357 0.38650 0.42113 0.42657 Eigenvalues --- 0.42999 0.43781 0.45087 0.48210 0.50712 Eigenvalues --- 0.56288 0.61862 0.85726 1.05954 RFO step: Lambda=-8.16982492D-03 EMin=-7.80772372D-03 I= 1 Eig= -7.81D-03 Dot1= -9.99D-04 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 9.99D-04. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 1.10D-04. Quartic linear search produced a step of -0.93574. Iteration 1 RMS(Cart)= 0.14717145 RMS(Int)= 0.00536539 Iteration 2 RMS(Cart)= 0.00999229 RMS(Int)= 0.00091370 Iteration 3 RMS(Cart)= 0.00005315 RMS(Int)= 0.00091300 Iteration 4 RMS(Cart)= 0.00000005 RMS(Int)= 0.00091300 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85519 0.00654 0.01245 -0.00524 0.00721 2.86240 R2 2.59523 0.01299 0.03979 0.00328 0.04307 2.63830 R3 2.86869 -0.02876 -0.05267 -0.00961 -0.06228 2.80641 R4 1.99893 0.01423 0.02650 0.00506 0.03156 2.03049 R5 2.05706 -0.00450 -0.00799 -0.00326 -0.01125 2.04581 R6 2.04812 0.00002 -0.00237 -0.00073 -0.00310 2.04502 R7 2.03037 0.00716 0.01013 0.00275 0.01288 2.04324 R8 1.87765 -0.04766 -0.08623 -0.02182 -0.10806 1.76959 R9 2.27476 -0.01973 -0.01867 -0.00624 -0.02491 2.24985 R10 2.62987 0.00051 -0.00331 -0.00003 -0.00317 2.62670 R11 2.72246 0.00323 0.00961 0.00117 0.01079 2.73325 R12 2.56467 -0.00998 -0.01903 -0.00310 -0.02202 2.54265 R13 1.89126 -0.00193 -0.00372 0.00003 -0.00369 1.88757 R14 3.22280 -0.01526 -0.04109 -0.00686 -0.04795 3.17485 R15 2.61534 -0.02547 -0.03671 -0.00952 -0.04630 2.56903 R16 2.64745 -0.00834 0.00867 -0.00124 0.00732 2.65477 R17 2.52531 0.00333 -0.00057 0.00004 -0.00065 2.52466 R18 2.87769 0.00058 -0.00778 -0.00388 -0.01166 2.86603 R19 2.02560 -0.00093 -0.00111 0.00016 -0.00095 2.02465 R20 2.05509 -0.00585 -0.02515 -0.00436 -0.02951 2.02558 R21 2.04158 0.00103 0.00503 0.00077 0.00580 2.04738 R22 2.90247 -0.00108 0.00110 0.00046 0.00156 2.90404 R23 2.04907 0.00052 0.00117 0.00031 0.00148 2.05055 R24 2.05274 -0.00219 -0.00504 -0.00002 -0.00505 2.04769 R25 2.02855 0.00879 0.01915 0.00369 0.02283 2.05138 A1 1.87985 0.02658 0.06847 0.00929 0.08241 1.96226 A2 2.03653 -0.01127 -0.05037 0.01202 -0.03672 1.99981 A3 1.84791 0.00111 0.03903 -0.03269 0.00708 1.85499 A4 2.04427 -0.02624 -0.14996 0.01457 -0.13457 1.90970 A5 1.85950 0.00517 0.06256 -0.01169 0.05212 1.91162 A6 1.77409 0.00693 0.04660 -0.00144 0.04349 1.81759 A7 1.90058 -0.00582 -0.00751 -0.01215 -0.01962 1.88096 A8 1.91492 0.00352 -0.00190 -0.00475 -0.00667 1.90825 A9 1.95024 0.00332 0.02048 0.00940 0.02996 1.98021 A10 1.87777 0.00207 0.01563 0.00150 0.01706 1.89483 A11 1.88101 0.00117 0.00503 -0.00121 0.00397 1.88498 A12 1.93723 -0.00443 -0.03126 0.00658 -0.02466 1.91257 A13 1.98940 -0.01451 -0.06861 0.00014 -0.06847 1.92093 A14 2.12123 -0.00708 -0.01911 -0.00613 -0.02477 2.09646 A15 2.22527 0.00003 -0.00745 -0.00041 -0.00739 2.21788 A16 1.93105 0.00771 0.02987 0.00605 0.03663 1.96768 A17 2.25026 -0.00401 -0.01785 0.00127 -0.01648 2.23378 A18 2.00728 0.00550 0.02065 0.00066 0.02130 2.02859 A19 2.02548 -0.00150 -0.00322 -0.00167 -0.00486 2.02062 A20 2.00927 0.02107 0.05549 0.00422 0.06132 2.07059 A21 2.03879 -0.00279 -0.00649 -0.00714 -0.01209 2.02670 A22 2.23123 -0.01782 -0.04552 -0.00457 -0.04798 2.18325 A23 2.09240 -0.01141 -0.03719 0.01305 -0.02400 2.06840 A24 2.11524 -0.00459 0.00212 -0.01669 -0.01422 2.10102 A25 2.06571 0.01620 0.03553 0.00608 0.04097 2.10668 A26 2.12431 -0.00459 -0.01641 0.00349 -0.01247 2.11184 A27 2.18124 -0.02918 -0.06998 -0.02066 -0.08981 2.09143 A28 1.97754 0.03375 0.08254 0.01765 0.10111 2.07865 A29 2.14732 -0.01211 -0.02644 -0.01116 -0.03767 2.10966 A30 2.05115 0.00386 -0.00194 0.00654 0.00488 2.05602 A31 2.08424 0.00824 0.02701 0.00565 0.03291 2.11715 A32 1.96288 0.00134 -0.00896 0.00921 0.00137 1.96425 A33 1.84102 0.00002 0.02507 -0.01705 0.00831 1.84933 A34 1.96185 -0.00069 -0.01391 0.00314 -0.00991 1.95195 A35 1.85641 -0.00056 -0.00262 -0.00522 -0.00845 1.84797 A36 1.97855 -0.00516 -0.04139 0.02376 -0.01716 1.96139 A37 1.85037 0.00581 0.04976 -0.01994 0.02975 1.88012 A38 1.91167 0.00040 0.00372 0.00042 0.00415 1.91582 A39 1.93930 -0.00161 -0.00200 -0.01231 -0.01433 1.92498 A40 1.97562 -0.00244 -0.01840 0.00936 -0.00905 1.96657 A41 1.88598 0.00056 0.00166 0.00042 0.00208 1.88806 A42 1.87799 0.00106 0.00647 0.00025 0.00673 1.88472 A43 1.87009 0.00225 0.00953 0.00192 0.01143 1.88152 D1 0.91365 0.01332 0.13181 -0.12787 0.00293 0.91658 D2 2.96463 0.01444 0.14519 -0.13585 0.00841 2.97304 D3 -1.16220 0.01360 0.11784 -0.12429 -0.00737 -1.16957 D4 -3.02865 -0.00857 -0.05719 -0.08607 -0.14312 3.11141 D5 -0.97767 -0.00745 -0.04382 -0.09405 -0.13764 -1.11531 D6 1.17868 -0.00829 -0.07116 -0.08249 -0.15342 1.02527 D7 -1.07034 -0.00508 -0.00182 -0.10323 -0.10436 -1.17470 D8 0.98064 -0.00396 0.01155 -0.11121 -0.09888 0.88176 D9 3.13699 -0.00481 -0.01579 -0.09965 -0.11466 3.02233 D10 -1.93918 -0.01327 -0.01188 -0.22791 -0.24000 -2.17918 D11 2.00719 0.00072 0.12161 -0.26858 -0.14612 1.86107 D12 0.03704 0.00269 0.10916 -0.26665 -0.15813 -0.12109 D13 1.77363 -0.00106 0.05703 -0.03110 0.02758 1.80121 D14 -1.52062 0.00193 0.06356 -0.01171 0.05353 -1.46709 D15 -2.24425 -0.00022 -0.02605 0.01218 -0.01577 -2.26002 D16 0.74468 0.00277 -0.01952 0.03156 0.01019 0.75487 D17 -0.22647 -0.00173 0.00480 0.00386 0.00885 -0.21763 D18 2.76246 0.00125 0.01133 0.02325 0.03480 2.79726 D19 -3.02446 -0.00364 -0.05866 -0.03267 -0.09106 -3.11552 D20 0.09713 -0.00407 -0.07683 -0.01647 -0.09357 0.00356 D21 0.01138 0.00266 0.10095 -0.03726 0.06290 0.07428 D22 3.13297 0.00222 0.08277 -0.02106 0.06039 -3.08982 D23 3.04143 0.00436 0.09968 -0.00756 0.09228 3.13371 D24 -0.13365 0.00429 0.06900 0.02845 0.09733 -0.03632 D25 0.01348 -0.00191 -0.07222 -0.00223 -0.07363 -0.06014 D26 3.12159 -0.00198 -0.10290 0.03378 -0.06858 3.05301 D27 3.10030 0.00019 0.01511 -0.02633 -0.01433 3.08597 D28 0.04597 -0.00405 -0.08499 0.05748 -0.02745 0.01852 D29 -0.02112 0.00057 0.03299 -0.04269 -0.01208 -0.03320 D30 -3.07545 -0.00367 -0.06711 0.04112 -0.02521 -3.10066 D31 2.86942 0.00410 0.03606 -0.01976 0.01693 2.88635 D32 -0.12382 0.00293 0.03242 -0.03659 -0.00430 -0.12811 D33 -0.17209 -0.00314 -0.07739 0.07589 -0.00362 -0.17571 D34 3.11786 -0.00432 -0.08103 0.05905 -0.02485 3.09302 D35 -2.83782 -0.00322 -0.01426 -0.01576 -0.03178 -2.86960 D36 0.31909 -0.00156 0.06502 -0.05798 0.00742 0.32651 D37 0.15338 -0.00260 -0.01381 0.00397 -0.01090 0.14248 D38 -2.97289 -0.00094 0.06547 -0.03825 0.02830 -2.94459 D39 -0.09687 0.00343 0.03902 0.01726 0.05642 -0.04045 D40 3.07881 0.00359 0.07140 -0.01941 0.05176 3.13058 D41 3.03106 0.00147 -0.03966 0.05463 0.01596 3.04701 D42 -0.07645 0.00164 -0.00729 0.01796 0.01130 -0.06514 D43 -0.48838 0.00078 -0.00100 -0.03449 -0.03552 -0.52389 D44 -2.50466 0.00076 -0.00808 -0.02284 -0.03103 -2.53570 D45 1.76995 -0.00583 -0.07568 0.00933 -0.06641 1.70354 D46 2.66741 0.00256 0.07718 -0.07352 0.00377 2.67118 D47 0.65112 0.00254 0.07010 -0.06187 0.00826 0.65938 D48 -1.35745 -0.00405 0.00251 -0.02971 -0.02712 -1.38457 D49 -3.13891 0.00199 0.03377 -0.00980 0.02417 -3.11474 D50 1.06189 0.00204 0.03057 -0.00290 0.02787 1.08976 D51 -1.04330 0.00201 0.03249 -0.00303 0.02965 -1.01366 D52 -0.88871 -0.00129 -0.02341 0.02677 0.00294 -0.88578 D53 -2.97110 -0.00123 -0.02661 0.03366 0.00664 -2.96446 D54 1.20690 -0.00127 -0.02469 0.03353 0.00841 1.21531 D55 1.14138 -0.00110 -0.01917 0.02068 0.00174 1.14313 D56 -0.94100 -0.00104 -0.02237 0.02757 0.00544 -0.93556 D57 -3.04619 -0.00108 -0.02045 0.02745 0.00722 -3.03897 Item Value Threshold Converged? Maximum Force 0.047658 0.000450 NO RMS Force 0.009823 0.000300 NO Maximum Displacement 0.600883 0.001800 NO RMS Displacement 0.152019 0.001200 NO Predicted change in Energy=-2.066875D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.969818 -4.992333 2.149848 2 6 0 7.145915 -5.178939 3.642677 3 8 0 6.952618 -6.205830 1.459700 4 8 0 2.872648 -2.207475 -0.112997 5 6 0 3.684621 -2.850692 0.473876 6 7 0 4.933798 -2.309231 0.753964 7 6 0 5.970821 -2.898105 1.377039 8 16 0 7.411966 -2.046778 1.521763 9 7 0 5.782773 -4.187818 1.763625 10 6 0 4.519809 -4.792993 1.652858 11 6 0 3.515715 -4.179065 1.020590 12 1 0 7.805219 -4.402955 1.819289 13 1 0 8.018106 -5.801353 3.797263 14 1 0 7.322719 -4.216893 4.105627 15 1 0 5.090093 -1.374026 0.439821 16 6 0 4.263752 -6.131678 2.318100 17 1 0 2.553476 -4.640332 0.924564 18 1 0 6.303017 -5.660697 4.118605 19 1 0 7.604442 -6.202264 0.787382 20 1 0 5.147324 -6.735312 2.380371 21 1 0 3.585817 -6.665187 1.662675 22 6 0 3.568465 -5.970047 3.679000 23 1 0 3.426285 -6.943703 4.136419 24 1 0 2.595200 -5.511032 3.551615 25 1 0 4.137583 -5.355262 4.369328 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514718 0.000000 3 O 1.396129 2.420178 0.000000 4 O 5.446348 6.418372 5.925062 0.000000 5 C 4.264742 5.238567 4.786292 1.190567 0.000000 6 N 3.645944 4.633934 4.444904 2.238373 1.389990 7 C 2.445613 3.422889 3.451348 3.506543 2.458588 8 S 3.044056 3.792030 4.184801 4.827387 3.954420 9 N 1.485089 2.524146 2.352292 3.989022 2.802427 10 C 2.507844 3.317344 2.819925 3.537836 2.420758 11 C 3.723904 4.588403 4.014087 2.363413 1.446374 12 H 1.074490 2.088439 2.026472 5.734467 4.604234 13 H 2.113622 1.082595 2.600590 7.394716 6.207285 14 H 2.133288 1.082180 3.330732 6.452726 5.319010 15 H 4.421505 5.381640 5.277828 2.432552 2.038885 16 C 2.940954 3.311960 2.823534 4.821283 3.808073 17 H 4.596663 5.363650 4.699958 2.664056 2.164583 18 H 2.183424 1.081238 2.790865 6.449699 5.294919 19 H 1.929507 3.067598 0.936429 6.257707 5.166848 20 H 2.532311 2.830208 2.094533 5.647330 4.567766 21 H 3.806211 4.336316 3.404050 4.851063 3.996670 22 C 3.855313 3.664059 4.053811 5.387054 4.474001 23 H 4.506766 4.146544 4.488241 6.387167 5.498517 24 H 4.622909 4.563725 4.883230 4.941644 4.211499 25 H 3.616541 3.099867 4.136886 5.621375 4.653234 6 7 8 9 10 6 N 0.000000 7 C 1.345514 0.000000 8 S 2.607625 1.680060 0.000000 9 N 2.295488 1.359475 2.701262 0.000000 10 C 2.673662 2.402522 3.990420 1.404843 0.000000 11 C 2.361849 2.792035 4.469742 2.385735 1.335992 12 H 3.709939 2.413540 2.407226 2.034617 3.312664 13 H 5.565028 4.298571 4.431945 3.425768 4.225322 14 H 4.536492 3.318437 3.375459 2.803079 3.768855 15 H 0.998860 1.994210 2.648449 3.185857 3.672331 16 C 4.184087 3.775668 5.218410 2.528529 1.516638 17 H 3.336026 3.862426 5.539684 3.367070 2.102424 18 H 4.942458 3.906207 4.586259 2.825943 3.164277 19 H 4.721140 3.732812 4.224266 2.886091 3.500008 20 H 4.720273 4.050799 5.277135 2.697016 2.166945 21 H 4.649425 4.467744 5.999081 3.312727 2.092259 22 C 4.880732 4.528484 5.900696 3.427560 2.528985 23 H 5.932279 5.518669 6.833883 4.333370 3.462575 24 H 4.852569 4.790719 6.270773 3.886956 2.797316 25 H 4.794071 4.283944 5.456764 3.295340 2.800260 11 12 13 14 15 11 C 0.000000 12 H 4.368969 0.000000 13 H 5.532925 2.431712 0.000000 14 H 4.900221 2.344092 1.757602 0.000000 15 H 3.268670 4.295258 6.280676 5.148266 0.000000 16 C 2.460851 3.972314 4.048729 4.027273 5.181314 17 H 1.071397 5.332700 6.281923 5.748404 4.163911 18 H 4.422893 3.020825 1.750593 1.767634 5.777558 19 H 4.567868 2.083904 3.064512 3.877089 5.454781 20 H 3.323485 3.580377 3.334854 3.748504 5.701963 21 H 2.568655 4.790153 4.994783 5.091816 5.635122 22 C 3.205861 4.885119 4.454408 4.165331 5.825036 23 H 4.166487 5.567724 4.743923 4.755906 6.888715 24 H 3.004591 5.601168 5.436224 4.932662 5.746527 25 H 3.603360 4.567400 3.947748 3.392715 5.674375 16 17 18 19 20 16 C 0.000000 17 H 2.662913 0.000000 18 H 2.760840 5.030120 0.000000 19 H 3.675363 5.288735 3.617188 0.000000 20 H 1.071891 3.638182 2.347739 2.976438 0.000000 21 H 1.083425 2.389681 3.797863 4.138815 1.719974 22 C 1.536749 3.222618 2.786884 4.970362 2.182857 23 H 2.160329 4.047633 3.149922 5.405810 2.467612 24 H 2.165831 2.767898 3.753902 5.762924 3.063333 25 H 2.196879 3.858358 2.201195 5.056369 2.622988 21 22 23 24 25 21 H 0.000000 22 C 2.132859 0.000000 23 H 2.494480 1.085105 0.000000 24 H 2.425177 1.083589 1.756486 0.000000 25 H 3.057175 1.085546 1.755943 1.752673 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.402787 1.161870 -0.386842 2 6 0 2.371585 1.309103 0.768201 3 8 0 2.027066 0.711583 -1.551613 4 8 0 -3.157421 -1.808891 -0.182430 5 6 0 -2.108339 -1.247042 -0.147760 6 7 0 -2.056975 0.119741 0.099902 7 6 0 -0.970933 0.912683 0.146433 8 16 0 -1.187390 2.561271 0.387067 9 7 0 0.222164 0.308552 -0.097939 10 6 0 0.305836 -1.087746 -0.228074 11 6 0 -0.796132 -1.841492 -0.277151 12 1 0 0.986148 2.137595 -0.556844 13 1 0 3.197923 1.921512 0.430364 14 1 0 1.878562 1.816869 1.586868 15 1 0 -2.934004 0.575522 0.244144 16 6 0 1.663268 -1.764012 -0.243397 17 1 0 -0.738219 -2.905735 -0.386358 18 1 0 2.773689 0.367384 1.115409 19 1 0 1.858772 1.304960 -2.256227 20 1 0 2.429998 -1.137313 -0.653670 21 1 0 1.570608 -2.602644 -0.923044 22 6 0 2.040026 -2.321098 1.138379 23 1 0 3.025927 -2.772361 1.095786 24 1 0 1.332214 -3.083303 1.442040 25 1 0 2.054551 -1.555995 1.908324 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7989876 0.6970597 0.4284120 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 946.4840999636 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.04D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999707 0.001264 -0.003716 -0.023887 Ang= 2.77 deg. B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999108 0.012378 -0.012447 -0.038401 Ang= 4.84 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.079242760 A.U. after 13 cycles NFock= 13 Conv=0.88D-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 0.010487372 0.003896099 -0.005118844 2 6 -0.003750288 -0.003922912 0.000835336 3 8 -0.006466395 0.000624843 0.012876464 4 8 -0.004310749 0.002268131 -0.004962480 5 6 0.000692633 -0.000002019 0.006471632 6 7 -0.000519036 0.001643169 0.002625873 7 6 0.004365634 -0.003912303 -0.011912527 8 16 0.000561920 0.003610145 0.003198519 9 7 -0.004098035 -0.003493236 0.004717583 10 6 0.002723307 -0.001653137 0.000739632 11 6 0.002562150 -0.000136029 -0.000824120 12 1 -0.001332785 -0.001709361 -0.001106175 13 1 0.000996181 -0.000006487 0.000504115 14 1 -0.001572983 0.000474403 0.000551642 15 1 -0.000662777 0.000050667 0.000390463 16 6 -0.008530680 -0.000115254 -0.001921230 17 1 0.000138501 0.000307236 0.000218753 18 1 0.001039930 0.000480011 0.000036130 19 1 0.007096075 0.001786322 -0.010252044 20 1 0.000310845 0.000660670 0.002771793 21 1 0.000389013 -0.001081497 -0.000331123 22 6 0.000735248 0.000486303 0.000507073 23 1 -0.000002844 0.000185431 -0.000036109 24 1 -0.000078330 0.000119444 0.001106348 25 1 -0.000773908 -0.000560640 -0.001086702 ------------------------------------------------------------------- Cartesian Forces: Max 0.012876464 RMS 0.003688888 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.012306749 RMS 0.002563618 Search for a local minimum. Step number 22 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 16 19 15 21 22 20 ITU= 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 1 ITU= 0 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.66457. Iteration 1 RMS(Cart)= 0.04275999 RMS(Int)= 0.00208006 Iteration 2 RMS(Cart)= 0.00222055 RMS(Int)= 0.00006263 Iteration 3 RMS(Cart)= 0.00001118 RMS(Int)= 0.00006208 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006208 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86240 0.00188 0.00405 0.00000 0.00405 2.86646 R2 2.63830 -0.00340 -0.00037 0.00000 -0.00037 2.63793 R3 2.80641 0.00388 0.00398 0.00000 0.00398 2.81039 R4 2.03049 -0.00163 -0.00216 0.00000 -0.00216 2.02834 R5 2.04581 0.00088 0.00180 0.00000 0.00180 2.04761 R6 2.04502 0.00040 0.00038 0.00000 0.00038 2.04540 R7 2.04324 -0.00101 -0.00137 0.00000 -0.00137 2.04188 R8 1.76959 0.01231 0.01057 0.00000 0.01057 1.78016 R9 2.24985 0.00661 0.00330 0.00000 0.00330 2.25314 R10 2.62670 -0.00037 -0.00024 0.00000 -0.00022 2.62648 R11 2.73325 -0.00036 -0.00035 0.00000 -0.00032 2.73293 R12 2.54265 0.00119 0.00111 0.00000 0.00111 2.54377 R13 1.88757 -0.00018 -0.00019 0.00000 -0.00019 1.88738 R14 3.17485 0.00259 0.00268 0.00000 0.00268 3.17754 R15 2.56903 0.00496 0.00470 0.00000 0.00467 2.57371 R16 2.65477 0.00553 0.00129 0.00000 0.00127 2.65604 R17 2.52466 0.00042 0.00003 0.00000 0.00003 2.52469 R18 2.86603 0.00206 0.00222 0.00000 0.00222 2.86825 R19 2.02465 -0.00028 -0.00016 0.00000 -0.00016 2.02449 R20 2.02558 0.00005 0.00175 0.00000 0.00175 2.02733 R21 2.04738 0.00049 -0.00028 0.00000 -0.00028 2.04710 R22 2.90404 0.00051 -0.00026 0.00000 -0.00026 2.90378 R23 2.05055 -0.00018 -0.00015 0.00000 -0.00015 2.05040 R24 2.04769 -0.00001 -0.00022 0.00000 -0.00022 2.04747 R25 2.05138 -0.00141 -0.00158 0.00000 -0.00158 2.04981 A1 1.96226 -0.00150 -0.00613 0.00000 -0.00596 1.95630 A2 1.99981 -0.00208 -0.01137 0.00000 -0.01126 1.98855 A3 1.85499 0.00320 0.02302 0.00000 0.02301 1.87800 A4 1.90970 0.00226 -0.01707 0.00000 -0.01696 1.89275 A5 1.91162 -0.00106 0.00979 0.00000 0.00980 1.92142 A6 1.81759 -0.00076 0.00419 0.00000 0.00413 1.82172 A7 1.88096 0.00060 0.00770 0.00000 0.00771 1.88867 A8 1.90825 -0.00007 0.00308 0.00000 0.00309 1.91134 A9 1.98021 0.00053 -0.00537 0.00000 -0.00537 1.97484 A10 1.89483 0.00006 -0.00024 0.00000 -0.00023 1.89461 A11 1.88498 -0.00031 0.00093 0.00000 0.00093 1.88591 A12 1.91257 -0.00081 -0.00581 0.00000 -0.00581 1.90676 A13 1.92093 -0.00150 -0.00322 0.00000 -0.00322 1.91771 A14 2.09646 0.00150 0.00289 0.00000 0.00288 2.09935 A15 2.21788 -0.00018 -0.00038 0.00000 -0.00038 2.21750 A16 1.96768 -0.00128 -0.00313 0.00000 -0.00309 1.96459 A17 2.23378 0.00038 -0.00172 0.00000 -0.00172 2.23206 A18 2.02859 -0.00062 0.00051 0.00000 0.00052 2.02910 A19 2.02062 0.00024 0.00094 0.00000 0.00096 2.02157 A20 2.07059 -0.00260 -0.00134 0.00000 -0.00100 2.06959 A21 2.02670 0.00171 0.00343 0.00000 0.00368 2.03038 A22 2.18325 0.00121 -0.00045 0.00000 -0.00010 2.18315 A23 2.06840 -0.00725 -0.01046 0.00000 -0.01043 2.05797 A24 2.10102 0.01006 0.01096 0.00000 0.01101 2.11203 A25 2.10668 -0.00282 -0.00199 0.00000 -0.00205 2.10464 A26 2.11184 -0.00196 -0.00337 0.00000 -0.00334 2.10849 A27 2.09143 0.01012 0.00999 0.00000 0.01008 2.10151 A28 2.07865 -0.00823 -0.00858 0.00000 -0.00850 2.07015 A29 2.10966 0.00404 0.00626 0.00000 0.00631 2.11596 A30 2.05602 -0.00216 -0.00462 0.00000 -0.00458 2.05145 A31 2.11715 -0.00192 -0.00269 0.00000 -0.00265 2.11450 A32 1.96425 0.00088 -0.00727 0.00000 -0.00716 1.95709 A33 1.84933 0.00082 0.01228 0.00000 0.01231 1.86164 A34 1.95195 -0.00081 -0.00329 0.00000 -0.00320 1.94874 A35 1.84797 0.00029 0.00375 0.00000 0.00369 1.85166 A36 1.96139 -0.00143 -0.01799 0.00000 -0.01794 1.94345 A37 1.88012 0.00047 0.01557 0.00000 0.01557 1.89570 A38 1.91582 -0.00008 -0.00011 0.00000 -0.00011 1.91571 A39 1.92498 0.00162 0.00810 0.00000 0.00810 1.93308 A40 1.96657 -0.00054 -0.00706 0.00000 -0.00706 1.95951 A41 1.88806 -0.00054 -0.00020 0.00000 -0.00019 1.88786 A42 1.88472 0.00015 0.00012 0.00000 0.00013 1.88485 A43 1.88152 -0.00065 -0.00082 0.00000 -0.00083 1.88069 D1 0.91658 0.00042 0.09167 0.00000 0.09167 1.00825 D2 2.97304 0.00079 0.09753 0.00000 0.09753 3.07057 D3 -1.16957 0.00007 0.08859 0.00000 0.08859 -1.08098 D4 3.11141 0.00051 0.05449 0.00000 0.05448 -3.11729 D5 -1.11531 0.00088 0.06035 0.00000 0.06033 -1.05498 D6 1.02527 0.00016 0.05142 0.00000 0.05140 1.07666 D7 -1.17470 0.00051 0.06806 0.00000 0.06808 -1.10662 D8 0.88176 0.00089 0.07392 0.00000 0.07393 0.95569 D9 3.02233 0.00016 0.06498 0.00000 0.06500 3.08733 D10 -2.17918 -0.00291 0.15106 0.00000 0.15103 -2.02815 D11 1.86107 -0.00079 0.18348 0.00000 0.18352 2.04459 D12 -0.12109 -0.00053 0.18262 0.00000 0.18260 0.06151 D13 1.80121 0.00278 0.02218 0.00000 0.02223 1.82343 D14 -1.46709 0.00250 0.00957 0.00000 0.00961 -1.45748 D15 -2.26002 0.00101 -0.00802 0.00000 -0.00807 -2.26809 D16 0.75487 0.00073 -0.02063 0.00000 -0.02069 0.73418 D17 -0.21763 0.00043 -0.00247 0.00000 -0.00246 -0.22009 D18 2.79726 0.00016 -0.01508 0.00000 -0.01509 2.78218 D19 -3.11552 0.00142 0.01885 0.00000 0.01886 -3.09666 D20 0.00356 0.00134 0.00761 0.00000 0.00761 0.01118 D21 0.07428 0.00062 0.02989 0.00000 0.02992 0.10419 D22 -3.08982 0.00053 0.01865 0.00000 0.01867 -3.07116 D23 3.13371 0.00023 0.00947 0.00000 0.00949 -3.13999 D24 -0.03632 -0.00130 -0.01568 0.00000 -0.01569 -0.05201 D25 -0.06014 0.00116 -0.00236 0.00000 -0.00238 -0.06252 D26 3.05301 -0.00037 -0.02751 0.00000 -0.02755 3.02546 D27 3.08597 0.00256 0.02025 0.00000 0.02024 3.10622 D28 0.01852 -0.00187 -0.04212 0.00000 -0.04210 -0.02358 D29 -0.03320 0.00266 0.03146 0.00000 0.03146 -0.00175 D30 -3.10066 -0.00178 -0.03091 0.00000 -0.03089 -3.13155 D31 2.88635 0.00222 0.01436 0.00000 0.01429 2.90064 D32 -0.12811 0.00152 0.02588 0.00000 0.02587 -0.10224 D33 -0.17571 -0.00236 -0.05256 0.00000 -0.05259 -0.22829 D34 3.09302 -0.00305 -0.04103 0.00000 -0.04101 3.05201 D35 -2.86960 0.00052 0.01099 0.00000 0.01097 -2.85864 D36 0.32651 0.00221 0.04125 0.00000 0.04116 0.36767 D37 0.14248 -0.00005 -0.00257 0.00000 -0.00257 0.13991 D38 -2.94459 0.00164 0.02769 0.00000 0.02763 -2.91696 D39 -0.04045 -0.00162 -0.00978 0.00000 -0.00978 -0.05023 D40 3.13058 -0.00004 0.01631 0.00000 0.01633 -3.13627 D41 3.04701 -0.00273 -0.03877 0.00000 -0.03887 3.00814 D42 -0.06514 -0.00115 -0.01269 0.00000 -0.01277 -0.07791 D43 -0.52389 0.00110 0.02289 0.00000 0.02291 -0.50098 D44 -2.53570 -0.00017 0.01489 0.00000 0.01488 -2.52081 D45 1.70354 -0.00080 -0.00961 0.00000 -0.00960 1.69394 D46 2.67118 0.00258 0.05231 0.00000 0.05231 2.72349 D47 0.65938 0.00130 0.04430 0.00000 0.04428 0.70366 D48 -1.38457 0.00068 0.01981 0.00000 0.01980 -1.36478 D49 -3.11474 0.00068 0.00792 0.00000 0.00794 -3.10680 D50 1.08976 0.00040 0.00319 0.00000 0.00321 1.09297 D51 -1.01366 0.00046 0.00337 0.00000 0.00339 -1.01027 D52 -0.88578 0.00002 -0.01858 0.00000 -0.01862 -0.90439 D53 -2.96446 -0.00026 -0.02331 0.00000 -0.02334 -2.98781 D54 1.21531 -0.00020 -0.02313 0.00000 -0.02317 1.19214 D55 1.14313 -0.00014 -0.01477 0.00000 -0.01475 1.12838 D56 -0.93556 -0.00043 -0.01950 0.00000 -0.01948 -0.95503 D57 -3.03897 -0.00037 -0.01932 0.00000 -0.01930 -3.05827 Item Value Threshold Converged? Maximum Force 0.012307 0.000450 NO RMS Force 0.002564 0.000300 NO Maximum Displacement 0.167687 0.001800 NO RMS Displacement 0.042660 0.001200 NO Predicted change in Energy=-2.391493D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.992164 -4.991031 2.121932 2 6 0 7.160135 -5.196576 3.615388 3 8 0 6.954430 -6.200842 1.426541 4 8 0 2.858682 -2.210525 -0.097068 5 6 0 3.679942 -2.855481 0.478405 6 7 0 4.921976 -2.306075 0.773786 7 6 0 5.970295 -2.904842 1.369184 8 16 0 7.391209 -2.027952 1.567773 9 7 0 5.788703 -4.198757 1.753510 10 6 0 4.527421 -4.808390 1.639531 11 6 0 3.523739 -4.191586 1.009377 12 1 0 7.817746 -4.395627 1.781365 13 1 0 8.071486 -5.759260 3.779414 14 1 0 7.256073 -4.235557 4.104042 15 1 0 5.066305 -1.360320 0.487021 16 6 0 4.249720 -6.133357 2.325903 17 1 0 2.558829 -4.649060 0.923476 18 1 0 6.343353 -5.744029 4.063354 19 1 0 7.693178 -6.259141 0.844942 20 1 0 5.136849 -6.727164 2.432362 21 1 0 3.592009 -6.691021 1.670223 22 6 0 3.543605 -5.935407 3.676235 23 1 0 3.391859 -6.897032 4.155325 24 1 0 2.574913 -5.470046 3.538431 25 1 0 4.117379 -5.310923 4.352549 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516863 0.000000 3 O 1.395935 2.417006 0.000000 4 O 5.453518 6.418826 5.917700 0.000000 5 C 4.269962 5.237665 4.776262 1.192311 0.000000 6 N 3.648584 4.630232 4.441415 2.241585 1.389873 7 C 2.441932 3.422454 3.440265 3.509146 2.457975 8 S 3.040752 3.779722 4.198063 4.832063 3.955380 9 N 1.487195 2.518542 2.339695 3.995339 2.806628 10 C 2.518139 3.314496 2.806182 3.542510 2.424931 11 C 3.729190 4.585267 3.997596 2.364556 1.446204 12 H 1.073349 2.106564 2.032244 5.735460 4.603388 13 H 2.121876 1.083549 2.641746 7.402295 6.214037 14 H 2.137557 1.082379 3.335018 6.409925 5.276227 15 H 4.423113 5.374724 5.279997 2.436722 2.039016 16 C 2.977836 3.318259 2.851116 4.816056 3.805571 17 H 4.605181 5.358935 4.688540 2.660428 2.161460 18 H 2.181073 1.080515 2.744974 6.475933 5.318772 19 H 1.931380 3.014723 0.942022 6.375816 5.274971 20 H 2.559827 2.799274 2.142964 5.655802 4.574982 21 H 3.828192 4.329960 3.406689 4.871954 4.017404 22 C 3.898751 3.691730 4.094547 5.346184 4.441920 23 H 4.552990 4.169291 4.541240 6.350628 5.471459 24 H 4.663478 4.594015 4.916739 4.890998 4.173823 25 H 3.652721 3.132866 4.171612 5.567395 4.607553 6 7 8 9 10 6 N 0.000000 7 C 1.346103 0.000000 8 S 2.608617 1.681479 0.000000 9 N 2.300722 1.361946 2.704611 0.000000 10 C 2.677082 2.403844 3.992151 1.405516 0.000000 11 C 2.359178 2.787616 4.466592 2.384082 1.336009 12 H 3.710381 2.409441 2.415252 2.038761 3.319145 13 H 5.556770 4.286247 4.390534 3.427908 4.247781 14 H 4.501279 3.302041 3.365181 2.771197 3.721222 15 H 0.998758 1.995234 2.649327 3.191015 3.675305 16 C 4.184386 3.781401 5.224755 2.537475 1.517815 17 H 3.331133 3.857337 5.535090 3.365087 2.100827 18 H 4.965994 3.931756 4.597299 2.833881 3.169850 19 H 4.828183 3.807161 4.303095 2.949187 3.571843 20 H 4.726846 4.054026 5.283205 2.697887 2.163718 21 H 4.669064 4.481296 6.015699 3.323218 2.102436 22 C 4.847285 4.516152 5.875192 3.428307 2.527098 23 H 5.903639 5.508946 6.811620 4.335235 3.461379 24 H 4.812762 4.776455 6.239248 3.889803 2.802838 25 H 4.741733 4.257110 5.408405 3.284089 2.789470 11 12 13 14 15 11 C 0.000000 12 H 4.367618 0.000000 13 H 5.550919 2.432299 0.000000 14 H 4.848629 2.394980 1.758395 0.000000 15 H 3.266257 4.296375 6.262718 5.113209 0.000000 16 C 2.455762 4.005875 4.105915 3.975120 5.179786 17 H 1.071314 5.334454 6.307005 5.687801 4.158574 18 H 4.437013 3.033067 1.751370 1.763576 5.799820 19 H 4.656828 2.089279 3.000687 3.861048 5.570190 20 H 3.325082 3.612073 3.370976 3.673381 5.708971 21 H 2.586224 4.810201 5.038112 5.037672 5.655961 22 C 3.186446 4.922371 4.532481 4.105476 5.781101 23 H 4.151364 5.610810 4.830605 4.692358 6.849482 24 H 2.988452 5.632846 5.509450 4.874129 5.692801 25 H 3.575210 4.597986 4.020504 3.327096 5.608033 16 17 18 19 20 16 C 0.000000 17 H 2.651236 0.000000 18 H 2.748383 5.037898 0.000000 19 H 3.750530 5.381456 3.527825 0.000000 20 H 1.072818 3.638879 2.254405 3.045287 0.000000 21 H 1.083277 2.407218 3.767461 4.205615 1.722989 22 C 1.536613 3.194081 2.832857 5.033884 2.170835 23 H 2.160072 4.023949 3.170046 5.465061 2.458139 24 H 2.171448 2.740852 3.814676 5.837311 3.060597 25 H 2.191165 3.824354 2.286083 5.097918 2.594644 21 22 23 24 25 21 H 0.000000 22 C 2.144150 0.000000 23 H 2.501647 1.085024 0.000000 24 H 2.452645 1.083474 1.756203 0.000000 25 H 3.061954 1.084711 1.755283 1.751374 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.434945 1.140491 -0.405698 2 6 0 2.408930 1.245673 0.752387 3 8 0 2.044941 0.650475 -1.561736 4 8 0 -3.202927 -1.721085 -0.199841 5 6 0 -2.138781 -1.184264 -0.167863 6 7 0 -2.048285 0.177344 0.095917 7 6 0 -0.941186 0.942636 0.121450 8 16 0 -1.108197 2.589144 0.418924 9 7 0 0.239206 0.305531 -0.114495 10 6 0 0.283171 -1.093113 -0.246166 11 6 0 -0.842290 -1.810836 -0.302124 12 1 0 1.037725 2.121231 -0.585822 13 1 0 3.226165 1.889769 0.450149 14 1 0 1.912434 1.695243 1.602636 15 1 0 -2.910450 0.653715 0.261024 16 6 0 1.611953 -1.826091 -0.217116 17 1 0 -0.815171 -2.877544 -0.397584 18 1 0 2.824678 0.292449 1.045697 19 1 0 2.025081 1.306825 -2.237173 20 1 0 2.417603 -1.216876 -0.578671 21 1 0 1.525802 -2.653047 -0.911531 22 6 0 1.918948 -2.388373 1.179585 23 1 0 2.889047 -2.874332 1.174334 24 1 0 1.175662 -3.121066 1.470449 25 1 0 1.935866 -1.614659 1.939637 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7944713 0.6981297 0.4295198 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.9834133694 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999961 0.000365 -0.001294 -0.008744 Ang= 1.01 deg. B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999882 -0.000901 0.002421 0.015146 Ang= -1.76 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.080084673 A.U. after 9 cycles NFock= 9 Conv=0.50D-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 0.001873179 0.000267987 -0.001827234 2 6 -0.001642494 -0.000547009 0.000252829 3 8 -0.001108393 -0.000050051 0.006047708 4 8 -0.001626903 0.000666845 -0.003172499 5 6 -0.000696706 0.000959676 0.005325466 6 7 0.000614306 0.000135218 0.000030206 7 6 0.000759318 -0.001391891 -0.003438421 8 16 0.000587781 0.001896766 0.000803095 9 7 -0.000738866 -0.000979137 0.000924322 10 6 0.000704768 0.000059211 0.001659361 11 6 0.001514393 -0.000354947 -0.001159844 12 1 -0.000471952 -0.001426058 -0.000344118 13 1 0.000461240 0.000015037 0.000144164 14 1 -0.000544279 0.000340201 0.000453821 15 1 -0.000283016 -0.000022799 0.000007307 16 6 -0.002764727 -0.000163344 -0.001161264 17 1 0.000149664 -0.000036502 -0.000108820 18 1 0.000454456 -0.000075907 -0.000205966 19 1 0.002843627 0.000833401 -0.005097732 20 1 0.000091636 -0.000102043 0.001075066 21 1 0.000031986 -0.000212563 -0.000146924 22 6 0.000080044 0.000226733 -0.000125088 23 1 -0.000008391 0.000075753 -0.000025128 24 1 -0.000093521 0.000081409 0.000564662 25 1 -0.000187150 -0.000195985 -0.000474970 ------------------------------------------------------------------- Cartesian Forces: Max 0.006047708 RMS 0.001499989 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005325751 RMS 0.001130199 Search for a local minimum. Step number 23 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 19 15 21 22 20 23 ITU= 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 1 ITU= 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- -0.01462 0.00021 0.00234 0.00548 0.00884 Eigenvalues --- 0.01648 0.01719 0.01819 0.01931 0.02060 Eigenvalues --- 0.02299 0.03269 0.03926 0.04316 0.05209 Eigenvalues --- 0.05339 0.05462 0.05554 0.05709 0.05914 Eigenvalues --- 0.06167 0.06826 0.08388 0.09287 0.12379 Eigenvalues --- 0.14971 0.15319 0.15835 0.15959 0.16012 Eigenvalues --- 0.16041 0.16099 0.16205 0.16525 0.18272 Eigenvalues --- 0.21909 0.22731 0.23667 0.24682 0.24792 Eigenvalues --- 0.24944 0.25640 0.27285 0.28350 0.28813 Eigenvalues --- 0.30302 0.31669 0.33677 0.34605 0.34818 Eigenvalues --- 0.34820 0.34827 0.34844 0.34938 0.35134 Eigenvalues --- 0.35442 0.36368 0.39122 0.42272 0.42646 Eigenvalues --- 0.42784 0.44129 0.45750 0.48286 0.53754 Eigenvalues --- 0.55854 0.59968 0.82268 0.91521 RFO step: Lambda=-1.54744357D-02 EMin=-1.46198213D-02 I= 1 Eig= -1.46D-02 Dot1= 2.14D-03 I= 1 Stepn= 6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 2.14D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= -3.79D-04. Quartic linear search produced a step of -0.00035. Iteration 1 RMS(Cart)= 0.06968971 RMS(Int)= 0.00553374 Iteration 2 RMS(Cart)= 0.00644857 RMS(Int)= 0.00044477 Iteration 3 RMS(Cart)= 0.00005914 RMS(Int)= 0.00044162 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00044162 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86646 0.00053 0.00000 0.00069 0.00069 2.86715 R2 2.63793 -0.00120 -0.00000 0.00538 0.00538 2.64332 R3 2.81039 0.00171 0.00000 0.01772 0.01772 2.82811 R4 2.02834 -0.00104 -0.00000 -0.00177 -0.00177 2.02657 R5 2.04761 0.00040 0.00000 0.00133 0.00133 2.04894 R6 2.04540 0.00046 0.00000 0.00564 0.00564 2.05104 R7 2.04188 -0.00039 -0.00000 0.00611 0.00611 2.04798 R8 1.78016 0.00533 0.00000 -0.03113 -0.03113 1.74904 R9 2.25314 0.00301 0.00000 -0.00884 -0.00884 2.24430 R10 2.62648 -0.00019 -0.00000 -0.00288 -0.00273 2.62375 R11 2.73293 -0.00030 -0.00000 -0.00909 -0.00893 2.72400 R12 2.54377 0.00035 0.00000 -0.01623 -0.01623 2.52754 R13 1.88738 -0.00006 -0.00000 -0.00284 -0.00284 1.88454 R14 3.17754 0.00158 0.00000 -0.00048 -0.00048 3.17706 R15 2.57371 0.00239 0.00000 0.00737 0.00720 2.58090 R16 2.65604 0.00202 0.00000 -0.00165 -0.00179 2.65425 R17 2.52469 0.00009 0.00000 0.00641 0.00640 2.53109 R18 2.86825 0.00064 0.00000 -0.00112 -0.00112 2.86713 R19 2.02449 -0.00011 -0.00000 0.00194 0.00194 2.02643 R20 2.02733 0.00024 0.00000 -0.00542 -0.00542 2.02191 R21 2.04710 0.00018 -0.00000 -0.00171 -0.00171 2.04538 R22 2.90378 0.00007 -0.00000 -0.00453 -0.00453 2.89925 R23 2.05040 -0.00008 -0.00000 0.00108 0.00108 2.05147 R24 2.04747 0.00005 -0.00000 -0.00095 -0.00095 2.04652 R25 2.04981 -0.00051 -0.00000 0.01023 0.01023 2.06004 A1 1.95630 -0.00040 -0.00000 0.04990 0.05010 2.00640 A2 1.98855 -0.00149 -0.00000 -0.06548 -0.06556 1.92299 A3 1.87800 0.00138 0.00000 0.02085 0.01993 1.89793 A4 1.89275 0.00193 -0.00000 0.02571 0.02666 1.91940 A5 1.92142 -0.00102 0.00000 -0.02449 -0.02503 1.89639 A6 1.82172 -0.00045 0.00000 -0.01166 -0.01164 1.81008 A7 1.88867 0.00010 0.00000 0.00541 0.00534 1.89401 A8 1.91134 0.00028 0.00000 0.01579 0.01577 1.92710 A9 1.97484 -0.00010 -0.00000 -0.01401 -0.01400 1.96084 A10 1.89461 -0.00003 -0.00000 -0.00116 -0.00127 1.89333 A11 1.88591 -0.00005 0.00000 -0.00898 -0.00902 1.87689 A12 1.90676 -0.00019 -0.00000 0.00298 0.00303 1.90979 A13 1.91771 -0.00013 -0.00000 0.00120 0.00120 1.91891 A14 2.09935 0.00076 0.00000 -0.00479 -0.00711 2.09224 A15 2.21750 -0.00000 -0.00000 0.00686 0.00449 2.22199 A16 1.96459 -0.00068 -0.00000 0.00458 0.00297 1.96756 A17 2.23206 0.00026 -0.00000 -0.00389 -0.00360 2.22846 A18 2.02910 -0.00037 0.00000 0.00845 0.00830 2.03740 A19 2.02157 0.00010 0.00000 -0.00441 -0.00456 2.01701 A20 2.06959 -0.00179 -0.00000 -0.01171 -0.01170 2.05789 A21 2.03038 0.00073 0.00000 0.01104 0.01099 2.04137 A22 2.18315 0.00107 -0.00000 0.00061 0.00063 2.18378 A23 2.05797 -0.00248 -0.00000 -0.02526 -0.02521 2.03276 A24 2.11203 0.00388 0.00000 0.03380 0.03391 2.14594 A25 2.10464 -0.00141 -0.00000 -0.00807 -0.00824 2.09640 A26 2.10849 -0.00067 -0.00000 -0.00374 -0.00422 2.10428 A27 2.10151 0.00446 0.00000 0.01683 0.01637 2.11788 A28 2.07015 -0.00380 -0.00000 -0.00895 -0.00943 2.06072 A29 2.11596 0.00180 0.00000 0.00304 0.00333 2.11929 A30 2.05145 -0.00090 -0.00000 -0.00252 -0.00269 2.04876 A31 2.11450 -0.00092 -0.00000 -0.00082 -0.00096 2.11354 A32 1.95709 0.00069 -0.00000 0.02285 0.02185 1.97894 A33 1.86164 0.00021 0.00000 0.00589 0.00605 1.86768 A34 1.94874 -0.00062 -0.00000 -0.02729 -0.02751 1.92123 A35 1.85166 0.00008 0.00000 0.00179 0.00203 1.85369 A36 1.94345 -0.00054 -0.00000 -0.03748 -0.03741 1.90604 A37 1.89570 0.00026 0.00000 0.03915 0.03950 1.93520 A38 1.91571 -0.00004 -0.00000 0.00531 0.00513 1.92084 A39 1.93308 0.00088 0.00000 0.02243 0.02243 1.95550 A40 1.95951 -0.00044 -0.00000 -0.03662 -0.03658 1.92294 A41 1.88786 -0.00029 -0.00000 0.00088 0.00066 1.88852 A42 1.88485 0.00013 0.00000 0.00476 0.00463 1.88948 A43 1.88069 -0.00026 -0.00000 0.00396 0.00416 1.88484 D1 1.00825 -0.00039 0.00002 0.11635 0.11689 1.12515 D2 3.07057 -0.00022 0.00002 0.12697 0.12758 -3.08504 D3 -1.08098 -0.00033 0.00002 0.13265 0.13319 -0.94779 D4 -3.11729 0.00071 0.00001 0.13976 0.13955 -2.97774 D5 -1.05498 0.00088 0.00001 0.15038 0.15024 -0.90475 D6 1.07666 0.00077 0.00001 0.15606 0.15585 1.23251 D7 -1.10662 0.00021 0.00001 0.10214 0.10178 -1.00485 D8 0.95569 0.00038 0.00001 0.11276 0.11246 1.06815 D9 3.08733 0.00027 0.00001 0.11844 0.11808 -3.07778 D10 -2.02815 -0.00193 0.00003 -0.23493 -0.23405 -2.26220 D11 2.04459 -0.00116 0.00003 -0.20527 -0.20578 1.83882 D12 0.06151 -0.00115 0.00003 -0.19261 -0.19289 -0.13138 D13 1.82343 0.00071 0.00000 -0.00965 -0.00913 1.81431 D14 -1.45748 0.00057 0.00000 -0.00670 -0.00623 -1.46371 D15 -2.26809 0.00061 -0.00000 0.02844 0.02846 -2.23963 D16 0.73418 0.00046 -0.00000 0.03139 0.03136 0.76554 D17 -0.22009 0.00009 -0.00000 0.00619 0.00573 -0.21436 D18 2.78218 -0.00005 -0.00000 0.00914 0.00863 2.79081 D19 -3.09666 0.00103 0.00000 0.05925 0.05886 -3.03780 D20 0.01118 0.00105 0.00000 0.06474 0.06435 0.07553 D21 0.10419 -0.00035 0.00001 -0.05330 -0.05312 0.05108 D22 -3.07116 -0.00033 0.00000 -0.04781 -0.04762 -3.11877 D23 -3.13999 -0.00061 0.00000 -0.05790 -0.05818 3.08502 D24 -0.05201 -0.00103 -0.00000 -0.06431 -0.06463 -0.11664 D25 -0.06252 0.00091 -0.00000 0.06339 0.06342 0.00090 D26 3.02546 0.00049 -0.00000 0.05699 0.05697 3.08243 D27 3.10622 0.00089 0.00000 0.01886 0.01872 3.12494 D28 -0.02358 -0.00030 -0.00001 0.02436 0.02424 0.00066 D29 -0.00175 0.00088 0.00001 0.01317 0.01306 0.01132 D30 -3.13155 -0.00032 -0.00001 0.01868 0.01859 -3.11296 D31 2.90064 0.00076 0.00000 0.00503 0.00481 2.90546 D32 -0.10224 0.00046 0.00000 -0.00142 -0.00158 -0.10382 D33 -0.22829 -0.00050 -0.00001 0.01102 0.01087 -0.21743 D34 3.05201 -0.00080 -0.00001 0.00458 0.00447 3.05648 D35 -2.85864 0.00025 0.00000 0.01306 0.01301 -2.84563 D36 0.36767 0.00056 0.00001 -0.04440 -0.04475 0.32293 D37 0.13991 0.00003 -0.00000 0.01485 0.01483 0.15474 D38 -2.91696 0.00034 0.00000 -0.04260 -0.04292 -2.95988 D39 -0.05023 -0.00088 -0.00000 -0.04921 -0.04915 -0.09938 D40 -3.13627 -0.00045 0.00000 -0.04252 -0.04241 3.10450 D41 3.00814 -0.00080 -0.00001 0.00846 0.00798 3.01611 D42 -0.07791 -0.00037 -0.00000 0.01515 0.01471 -0.06320 D43 -0.50098 0.00057 0.00000 0.05811 0.05846 -0.44252 D44 -2.52081 -0.00001 0.00000 0.04038 0.04037 -2.48044 D45 1.69394 -0.00010 -0.00000 0.00453 0.00441 1.69835 D46 2.72349 0.00074 0.00001 0.00168 0.00189 2.72539 D47 0.70366 0.00016 0.00001 -0.01604 -0.01619 0.68747 D48 -1.36478 0.00006 0.00000 -0.05189 -0.05215 -1.41693 D49 -3.10680 0.00012 0.00000 -0.00156 -0.00192 -3.10872 D50 1.09297 -0.00005 0.00000 -0.02007 -0.02056 1.07241 D51 -1.01027 -0.00003 0.00000 -0.01585 -0.01614 -1.02641 D52 -0.90439 0.00013 -0.00000 -0.02157 -0.02112 -0.92551 D53 -2.98781 -0.00004 -0.00000 -0.04007 -0.03975 -3.02756 D54 1.19214 -0.00002 -0.00000 -0.03586 -0.03534 1.15680 D55 1.12838 0.00007 -0.00000 -0.01714 -0.01717 1.11121 D56 -0.95503 -0.00010 -0.00000 -0.03564 -0.03580 -0.99084 D57 -3.05827 -0.00008 -0.00000 -0.03142 -0.03139 -3.08966 Item Value Threshold Converged? Maximum Force 0.005326 0.000450 NO RMS Force 0.001130 0.000300 NO Maximum Displacement 0.369051 0.001800 NO RMS Displacement 0.070876 0.001200 NO Predicted change in Energy=-4.752901D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.016555 -5.016286 2.118994 2 6 0 7.137102 -5.144799 3.625957 3 8 0 7.030718 -6.227979 1.420285 4 8 0 2.900652 -2.201431 -0.086165 5 6 0 3.686452 -2.839903 0.534596 6 7 0 4.950425 -2.324296 0.788094 7 6 0 5.984447 -2.942958 1.368616 8 16 0 7.422218 -2.087156 1.532739 9 7 0 5.790034 -4.235720 1.763907 10 6 0 4.514930 -4.817185 1.670013 11 6 0 3.521703 -4.181823 1.034560 12 1 0 7.820372 -4.403867 1.759976 13 1 0 8.109482 -5.563967 3.859146 14 1 0 7.061044 -4.169638 4.096374 15 1 0 5.122963 -1.390086 0.484783 16 6 0 4.210206 -6.158766 2.309752 17 1 0 2.554428 -4.632426 0.928497 18 1 0 6.387486 -5.806235 4.044388 19 1 0 7.650020 -6.189221 0.733548 20 1 0 5.074760 -6.777170 2.431875 21 1 0 3.552060 -6.689593 1.634036 22 6 0 3.540950 -5.951558 3.674663 23 1 0 3.353215 -6.910944 4.146729 24 1 0 2.597812 -5.426172 3.589293 25 1 0 4.191965 -5.370822 4.328344 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517229 0.000000 3 O 1.398783 2.459590 0.000000 4 O 5.452228 6.355373 5.961537 0.000000 5 C 4.282120 5.174557 4.842275 1.187632 0.000000 6 N 3.645134 4.559633 4.468336 2.231814 1.388430 7 C 2.434544 3.357425 3.448002 3.489418 2.446833 8 S 3.014642 3.716455 4.160809 4.804005 3.939399 9 N 1.496570 2.471486 2.372018 3.988688 2.807948 10 C 2.549383 3.287679 2.895150 3.540088 2.425942 11 C 3.753174 4.551238 4.080285 2.358745 1.441477 12 H 1.072415 2.120783 2.016514 5.697596 4.586593 13 H 2.126633 1.084252 2.748215 7.348743 6.167362 14 H 2.151470 1.085364 3.376261 6.219030 5.083536 15 H 4.405186 5.293543 5.283929 2.433707 2.041572 16 C 3.035991 3.365597 2.958248 4.807895 3.800046 17 H 4.634135 5.342257 4.777532 2.656906 2.156334 18 H 2.174141 1.083747 2.734508 6.497238 5.330418 19 H 1.922632 3.117680 0.925551 6.255468 5.193013 20 H 2.639919 2.888550 2.269515 5.657265 4.585754 21 H 3.877868 4.382541 3.515656 4.850465 4.005863 22 C 3.921054 3.685857 4.163786 5.349510 4.423075 23 H 4.595813 4.208120 4.628604 6.348364 5.452700 24 H 4.674941 4.548150 4.999815 4.898945 4.147904 25 H 3.603502 3.036160 4.153317 5.585733 4.588422 6 7 8 9 10 6 N 0.000000 7 C 1.337517 0.000000 8 S 2.592392 1.681225 0.000000 9 N 2.304495 1.365755 2.708097 0.000000 10 C 2.679912 2.400635 3.990517 1.404567 0.000000 11 C 2.356352 2.776956 4.455314 2.383312 1.339397 12 H 3.675019 2.378663 2.361633 2.037292 3.332397 13 H 5.468680 4.193829 4.239424 3.396189 4.274434 14 H 4.336441 3.178753 3.322561 2.657110 3.576205 15 H 0.997254 1.983615 2.621200 3.190420 3.676885 16 C 4.191244 3.791450 5.243928 2.547923 1.517222 17 H 3.329861 3.848771 5.526200 3.365179 2.104174 18 H 4.979207 3.939614 4.605498 2.832677 3.181563 19 H 4.714704 3.703467 4.185396 2.887447 3.547990 20 H 4.748216 4.081572 5.321206 2.723374 2.176093 21 H 4.661207 4.474844 6.014217 3.323686 2.105783 22 C 4.845196 4.510012 5.880960 3.413718 2.500812 23 H 5.904985 5.512369 6.830715 4.332754 3.444928 24 H 4.796159 4.750480 6.217181 3.865164 2.780260 25 H 4.731802 4.226997 5.388173 3.227788 2.734509 11 12 13 14 15 11 C 0.000000 12 H 4.365098 0.000000 13 H 5.562043 2.415767 0.000000 14 H 4.679935 2.467833 1.760583 0.000000 15 H 3.264978 4.240873 6.142223 4.952339 0.000000 16 C 2.451215 4.051570 4.237778 3.908443 5.186902 17 H 1.072340 5.336081 6.349416 5.528038 4.160171 18 H 4.462118 3.039464 1.748794 1.770546 5.811384 19 H 4.600353 2.066414 3.220467 3.966637 5.429512 20 H 3.331711 3.690854 3.566301 3.676289 5.728365 21 H 2.578605 4.843438 5.195021 4.972550 5.645643 22 C 3.178440 4.937087 4.588654 3.967888 5.786633 23 H 4.142715 5.651329 4.951679 4.611430 6.857240 24 H 2.988084 5.627312 5.519992 4.664381 5.683693 25 H 3.565387 4.549379 3.950240 3.119017 5.611237 16 17 18 19 20 16 C 0.000000 17 H 2.641814 0.000000 18 H 2.806028 5.077296 0.000000 19 H 3.783868 5.331666 3.564033 0.000000 20 H 1.069948 3.634851 2.294812 3.140376 0.000000 21 H 1.082370 2.392695 3.824887 4.225461 1.721288 22 C 1.534217 3.202306 2.874123 5.058764 2.139797 23 H 2.162104 4.023273 3.230736 5.534729 2.433586 24 H 2.184888 2.777004 3.835777 5.853403 3.049603 25 H 2.167003 3.845219 2.256220 5.054748 2.520662 21 22 23 24 25 21 H 0.000000 22 C 2.170019 0.000000 23 H 2.530250 1.085593 0.000000 24 H 2.515920 1.082971 1.756677 0.000000 25 H 3.067235 1.090125 1.763082 1.758005 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.431093 1.172035 -0.397478 2 6 0 2.333636 1.252934 0.819425 3 8 0 2.062780 0.756329 -1.574234 4 8 0 -3.186901 -1.720707 -0.215902 5 6 0 -2.122315 -1.202017 -0.125965 6 7 0 -2.035985 0.164539 0.103839 7 6 0 -0.934059 0.922396 0.122850 8 16 0 -1.116782 2.569820 0.404141 9 7 0 0.254977 0.292242 -0.110356 10 6 0 0.299441 -1.106381 -0.231535 11 6 0 -0.831688 -1.820647 -0.297531 12 1 0 0.992330 2.136003 -0.565786 13 1 0 3.079935 2.019727 0.644303 14 1 0 1.759540 1.526121 1.699083 15 1 0 -2.894653 0.649796 0.251255 16 6 0 1.618948 -1.854866 -0.256698 17 1 0 -0.807886 -2.885239 -0.423986 18 1 0 2.858259 0.323147 1.005902 19 1 0 1.867830 1.344331 -2.261906 20 1 0 2.438322 -1.259614 -0.601794 21 1 0 1.511244 -2.662644 -0.969033 22 6 0 1.943125 -2.398039 1.141049 23 1 0 2.903069 -2.904891 1.130087 24 1 0 1.194321 -3.099090 1.488390 25 1 0 1.997147 -1.579706 1.859230 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7900609 0.7031763 0.4306875 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 946.3341455610 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999979 -0.004679 0.000766 -0.004307 Ang= -0.73 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.077944251 A.U. after 14 cycles NFock= 14 Conv=0.48D-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 -0.004042196 0.004066494 -0.004885741 2 6 0.003599681 -0.011787347 0.000086221 3 8 -0.020108363 0.001544562 0.033489701 4 8 -0.012261492 0.008033667 -0.002096739 5 6 0.010856923 -0.007023635 -0.008701762 6 7 -0.004758860 0.001598326 0.003750531 7 6 0.004901336 -0.005106744 -0.000665931 8 16 0.002984722 0.003858108 0.000981748 9 7 -0.000036725 0.003591792 -0.004253712 10 6 0.003455146 -0.002710614 -0.009002089 11 6 -0.000882426 -0.001449759 0.007753144 12 1 -0.000168553 -0.000961429 0.003217788 13 1 0.000216565 -0.000050148 0.001008190 14 1 -0.000085522 -0.001699447 -0.003356191 15 1 -0.001294433 0.001519808 -0.000577873 16 6 -0.001493973 0.003519891 0.002127852 17 1 0.000611859 0.000393615 0.001003302 18 1 0.001272323 0.001545151 -0.000527599 19 1 0.015931707 0.002886847 -0.020300230 20 1 0.005800991 -0.000549573 -0.002267130 21 1 -0.001843698 0.000190896 0.001198523 22 6 0.001693996 0.000258958 0.003248172 23 1 0.000288034 0.000606785 0.000206193 24 1 -0.000003333 0.000234482 -0.000677251 25 1 -0.004633710 -0.002510684 -0.000759119 ------------------------------------------------------------------- Cartesian Forces: Max 0.033489701 RMS 0.006658245 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.025843355 RMS 0.004376865 Search for a local minimum. Step number 24 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 19 15 21 22 20 24 23 ITU= 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 -1 ITU= 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00011 0.00234 0.00265 0.00559 0.00895 Eigenvalues --- 0.01654 0.01757 0.01931 0.02040 0.02151 Eigenvalues --- 0.02318 0.03946 0.04369 0.05157 0.05377 Eigenvalues --- 0.05428 0.05568 0.05653 0.05843 0.05982 Eigenvalues --- 0.06284 0.07035 0.08315 0.09032 0.12633 Eigenvalues --- 0.15158 0.15578 0.15946 0.15991 0.16018 Eigenvalues --- 0.16066 0.16112 0.16279 0.16733 0.19718 Eigenvalues --- 0.22006 0.23067 0.23671 0.24774 0.24853 Eigenvalues --- 0.25239 0.27006 0.27281 0.28540 0.29162 Eigenvalues --- 0.30325 0.31904 0.33714 0.34738 0.34820 Eigenvalues --- 0.34822 0.34842 0.34917 0.34986 0.35160 Eigenvalues --- 0.35781 0.36616 0.39158 0.42500 0.42780 Eigenvalues --- 0.43618 0.45000 0.45886 0.48310 0.55764 Eigenvalues --- 0.56023 0.60004 0.83557 0.93284 RFO step: Lambda=-2.65412783D-03 EMin= 1.13238957D-04 Quartic linear search produced a step of -0.74830. Iteration 1 RMS(Cart)= 0.05922314 RMS(Int)= 0.02082802 Iteration 2 RMS(Cart)= 0.01934309 RMS(Int)= 0.00127178 Iteration 3 RMS(Cart)= 0.00127266 RMS(Int)= 0.00014578 Iteration 4 RMS(Cart)= 0.00000377 RMS(Int)= 0.00014576 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00014576 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86715 -0.00136 -0.00052 -0.00124 -0.00176 2.86539 R2 2.64332 -0.01047 -0.00403 -0.01345 -0.01747 2.62584 R3 2.82811 0.00162 -0.01326 0.01801 0.00476 2.83286 R4 2.02657 -0.00175 0.00132 -0.00355 -0.00223 2.02434 R5 2.04894 0.00043 -0.00099 -0.00172 -0.00271 2.04623 R6 2.05104 -0.00298 -0.00422 0.00017 -0.00405 2.04699 R7 2.04798 -0.00203 -0.00457 -0.00165 -0.00622 2.04177 R8 1.74904 0.02584 0.02329 0.01343 0.03673 1.78576 R9 2.24430 0.01353 0.00662 0.00445 0.01107 2.25537 R10 2.62375 0.00324 0.00204 0.00038 0.00237 2.62613 R11 2.72400 0.00247 0.00669 0.00099 0.00765 2.73164 R12 2.52754 0.00940 0.01214 0.00343 0.01555 2.54309 R13 1.88454 0.00138 0.00213 -0.00004 0.00209 1.88663 R14 3.17706 0.00461 0.00036 0.00728 0.00764 3.18469 R15 2.58090 0.00268 -0.00539 0.00001 -0.00535 2.57555 R16 2.65425 -0.00304 0.00134 -0.00078 0.00061 2.65486 R17 2.53109 -0.00262 -0.00479 0.00032 -0.00446 2.52664 R18 2.86713 -0.00021 0.00084 0.00188 0.00272 2.86985 R19 2.02643 -0.00082 -0.00145 0.00018 -0.00127 2.02516 R20 2.02191 0.00475 0.00406 0.00542 0.00948 2.03139 R21 2.04538 0.00028 0.00128 -0.00079 0.00049 2.04588 R22 2.89925 0.00276 0.00339 0.00131 0.00469 2.90395 R23 2.05147 -0.00050 -0.00081 -0.00059 -0.00140 2.05007 R24 2.04652 0.00017 0.00071 0.00029 0.00100 2.04752 R25 2.06004 -0.00456 -0.00765 -0.00375 -0.01141 2.04863 A1 2.00640 -0.01231 -0.03749 -0.02895 -0.06679 1.93961 A2 1.92299 0.01452 0.04906 0.00364 0.05308 1.97606 A3 1.89793 -0.00142 -0.01491 0.00398 -0.01067 1.88725 A4 1.91940 -0.00377 -0.01995 0.02868 0.00890 1.92830 A5 1.89639 0.00622 0.01873 0.00743 0.02577 1.92216 A6 1.81008 -0.00229 0.00871 -0.01347 -0.00487 1.80521 A7 1.89401 0.00194 -0.00399 -0.00540 -0.00935 1.88466 A8 1.92710 -0.00380 -0.01180 0.00479 -0.00701 1.92010 A9 1.96084 0.00079 0.01048 -0.00625 0.00423 1.96506 A10 1.89333 0.00065 0.00095 0.00621 0.00720 1.90054 A11 1.87689 -0.00057 0.00675 0.00078 0.00757 1.88445 A12 1.90979 0.00109 -0.00227 0.00016 -0.00215 1.90765 A13 1.91891 -0.00189 -0.00090 0.01182 0.01092 1.92983 A14 2.09224 0.00350 0.00532 0.00411 0.00990 2.10214 A15 2.22199 -0.00079 -0.00336 -0.00028 -0.00317 2.21882 A16 1.96756 -0.00247 -0.00222 -0.00383 -0.00582 1.96174 A17 2.22846 0.00140 0.00269 0.00027 0.00277 2.23122 A18 2.03740 -0.00213 -0.00621 -0.00214 -0.00831 2.02909 A19 2.01701 0.00073 0.00341 0.00157 0.00502 2.02204 A20 2.05789 -0.00033 0.00875 -0.00541 0.00328 2.06117 A21 2.04137 -0.00372 -0.00822 0.00256 -0.00585 2.03552 A22 2.18378 0.00408 -0.00047 0.00321 0.00268 2.18646 A23 2.03276 0.01270 0.01887 0.00399 0.02284 2.05560 A24 2.14594 -0.01312 -0.02537 -0.00315 -0.02851 2.11743 A25 2.09640 0.00042 0.00616 -0.00205 0.00405 2.10045 A26 2.10428 0.00400 0.00316 0.00072 0.00402 2.10830 A27 2.11788 -0.00547 -0.01225 0.00638 -0.00571 2.11217 A28 2.06072 0.00144 0.00706 -0.00695 0.00030 2.06102 A29 2.11929 0.00045 -0.00249 0.00332 0.00074 2.12003 A30 2.04876 0.00017 0.00201 -0.00154 0.00052 2.04928 A31 2.11354 -0.00063 0.00072 -0.00183 -0.00106 2.11248 A32 1.97894 -0.00513 -0.01635 0.00163 -0.01481 1.96413 A33 1.86768 -0.00034 -0.00453 -0.00385 -0.00837 1.85931 A34 1.92123 0.00601 0.02058 0.00364 0.02415 1.94539 A35 1.85369 0.00129 -0.00152 0.00125 -0.00022 1.85347 A36 1.90604 0.00218 0.02800 0.00452 0.03244 1.93848 A37 1.93520 -0.00447 -0.02956 -0.00786 -0.03739 1.89780 A38 1.92084 0.00003 -0.00384 -0.00030 -0.00413 1.91671 A39 1.95550 -0.00181 -0.01678 -0.00063 -0.01741 1.93809 A40 1.92294 0.00416 0.02737 0.00430 0.03165 1.95459 A41 1.88852 0.00040 -0.00049 -0.00127 -0.00174 1.88678 A42 1.88948 -0.00170 -0.00347 -0.00052 -0.00399 1.88549 A43 1.88484 -0.00119 -0.00311 -0.00170 -0.00483 1.88001 D1 1.12515 0.00077 -0.08747 -0.00731 -0.09458 1.03057 D2 -3.08504 0.00051 -0.09547 -0.00023 -0.09552 3.10262 D3 -0.94779 -0.00028 -0.09967 -0.00095 -0.10040 -1.04818 D4 -2.97774 -0.00187 -0.10443 0.01194 -0.09264 -3.07038 D5 -0.90475 -0.00213 -0.11242 0.01902 -0.09358 -0.99832 D6 1.23251 -0.00291 -0.11662 0.01830 -0.09846 1.13406 D7 -1.00485 0.00226 -0.07616 0.00001 -0.07619 -1.08104 D8 1.06815 0.00201 -0.08416 0.00709 -0.07713 0.99102 D9 -3.07778 0.00122 -0.08836 0.00637 -0.08201 3.12340 D10 -2.26220 0.00293 0.17514 -0.47966 -0.30479 -2.56699 D11 1.83882 -0.00401 0.15398 -0.48587 -0.33143 1.50739 D12 -0.13138 -0.00268 0.14434 -0.48881 -0.34465 -0.47603 D13 1.81431 0.00332 0.00683 0.01207 0.01842 1.83272 D14 -1.46371 0.00354 0.00466 0.00177 0.00599 -1.45772 D15 -2.23963 -0.00469 -0.02129 -0.00145 -0.02251 -2.26214 D16 0.76554 -0.00447 -0.02346 -0.01175 -0.03493 0.73061 D17 -0.21436 -0.00040 -0.00429 0.01296 0.00885 -0.20551 D18 2.79081 -0.00018 -0.00646 0.00266 -0.00357 2.78723 D19 -3.03780 -0.00241 -0.04404 0.01472 -0.02935 -3.06715 D20 0.07553 -0.00247 -0.04816 0.00109 -0.04707 0.02846 D21 0.05108 0.00200 0.03975 0.01473 0.05442 0.10550 D22 -3.11877 0.00193 0.03563 0.00110 0.03670 -3.08207 D23 3.08502 0.00291 0.04354 0.00118 0.04470 3.12971 D24 -0.11664 0.00275 0.04836 0.00027 0.04864 -0.06800 D25 0.00090 -0.00205 -0.04746 0.00102 -0.04637 -0.04547 D26 3.08243 -0.00220 -0.04263 0.00011 -0.04242 3.04000 D27 3.12494 0.00024 -0.01401 -0.00567 -0.01976 3.10517 D28 0.00066 -0.00169 -0.01814 -0.02781 -0.04604 -0.04538 D29 0.01132 0.00034 -0.00978 0.00787 -0.00192 0.00940 D30 -3.11296 -0.00159 -0.01391 -0.01427 -0.02820 -3.14116 D31 2.90546 0.00021 -0.00360 0.01461 0.01093 2.91638 D32 -0.10382 0.00116 0.00118 0.02471 0.02595 -0.07787 D33 -0.21743 -0.00182 -0.00813 -0.00922 -0.01747 -0.23489 D34 3.05648 -0.00087 -0.00335 0.00088 -0.00245 3.05403 D35 -2.84563 -0.00194 -0.00973 -0.00120 -0.01112 -2.85675 D36 0.32293 -0.00077 0.03348 -0.00777 0.02578 0.34871 D37 0.15474 -0.00084 -0.01110 -0.01142 -0.02254 0.13221 D38 -2.95988 0.00032 0.03212 -0.01798 0.01437 -2.94552 D39 -0.09938 0.00149 0.03678 -0.00215 0.03457 -0.06481 D40 3.10450 0.00162 0.03174 -0.00123 0.03043 3.13493 D41 3.01611 0.00026 -0.00597 0.00440 -0.00137 3.01474 D42 -0.06320 0.00039 -0.01101 0.00532 -0.00551 -0.06871 D43 -0.44252 -0.00176 -0.04375 0.01713 -0.02667 -0.46919 D44 -2.48044 -0.00024 -0.03021 0.01714 -0.01310 -2.49354 D45 1.69835 0.00193 -0.00330 0.02689 0.02359 1.72194 D46 2.72539 -0.00066 -0.00142 0.01062 0.00920 2.73458 D47 0.68747 0.00085 0.01212 0.01063 0.02277 0.71024 D48 -1.41693 0.00302 0.03903 0.02038 0.05946 -1.35747 D49 -3.10872 0.00016 0.00144 0.00326 0.00468 -3.10404 D50 1.07241 0.00082 0.01538 0.00549 0.02087 1.09328 D51 -1.02641 0.00068 0.01208 0.00512 0.01719 -1.00922 D52 -0.92551 -0.00071 0.01580 0.01093 0.02675 -0.89876 D53 -3.02756 -0.00005 0.02975 0.01316 0.04294 -2.98462 D54 1.15680 -0.00019 0.02645 0.01279 0.03926 1.19606 D55 1.11121 -0.00043 0.01285 0.01060 0.02343 1.13464 D56 -0.99084 0.00023 0.02679 0.01283 0.03962 -0.95122 D57 -3.08966 0.00009 0.02349 0.01246 0.03593 -3.05373 Item Value Threshold Converged? Maximum Force 0.025843 0.000450 NO RMS Force 0.004377 0.000300 NO Maximum Displacement 0.429153 0.001800 NO RMS Displacement 0.070393 0.001200 NO Predicted change in Energy=-2.543066D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.022339 -4.999979 2.146010 2 6 0 7.176190 -5.178844 3.643839 3 8 0 7.025653 -6.226052 1.492141 4 8 0 2.878083 -2.226107 -0.105474 5 6 0 3.695230 -2.862005 0.488090 6 7 0 4.941083 -2.316372 0.773333 7 6 0 5.992381 -2.919785 1.357882 8 16 0 7.415398 -2.035264 1.538913 9 7 0 5.808090 -4.206682 1.767141 10 6 0 4.544831 -4.811851 1.659148 11 6 0 3.543771 -4.197380 1.020416 12 1 0 7.834110 -4.394079 1.797502 13 1 0 8.110155 -5.696091 3.824562 14 1 0 7.210734 -4.211989 4.131042 15 1 0 5.088860 -1.374296 0.477737 16 6 0 4.253806 -6.141361 2.332973 17 1 0 2.580375 -4.658091 0.930501 18 1 0 6.379916 -5.767964 4.075433 19 1 0 7.422922 -6.146018 0.638461 20 1 0 5.137359 -6.739817 2.462344 21 1 0 3.610844 -6.693795 1.659545 22 6 0 3.518606 -5.945982 3.668173 23 1 0 3.358099 -6.907683 4.143857 24 1 0 2.552240 -5.480290 3.515715 25 1 0 4.080925 -5.322224 4.353715 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516297 0.000000 3 O 1.389536 2.397730 0.000000 4 O 5.471600 6.422595 5.979488 0.000000 5 C 4.288273 5.238662 4.839076 1.193488 0.000000 6 N 3.663006 4.629175 4.488621 2.244197 1.389686 7 C 2.451360 3.424961 3.466567 3.510193 2.456986 8 S 3.051654 3.790783 4.209132 4.829871 3.953147 9 N 1.499087 2.517696 2.374014 4.001787 2.812171 10 C 2.531892 3.316283 2.860479 3.546549 2.427982 11 C 3.743202 4.586948 4.057282 2.365732 1.445524 12 H 1.071235 2.111321 2.025580 5.734425 4.603492 13 H 2.117889 1.082818 2.626250 7.406791 6.217367 14 H 2.144009 1.083222 3.324831 6.376806 5.239496 15 H 4.434755 5.371754 5.321628 2.439928 2.038526 16 C 3.000414 3.344419 2.897811 4.813299 3.803916 17 H 4.617942 5.362359 4.747045 2.660154 2.159758 18 H 2.173749 1.080457 2.701891 6.502889 5.340521 19 H 1.935607 3.166796 0.944985 6.047702 4.970215 20 H 2.584619 2.826552 2.184240 5.663179 4.584195 21 H 3.839787 4.352493 3.450758 4.859266 4.007748 22 C 3.935486 3.737247 4.136779 5.337429 4.433400 23 H 4.588832 4.220985 4.576807 6.340692 5.463131 24 H 4.699849 4.635536 4.966129 4.879436 4.162735 25 H 3.691845 3.178859 4.204394 5.560318 4.598314 6 7 8 9 10 6 N 0.000000 7 C 1.345746 0.000000 8 S 2.605258 1.685267 0.000000 9 N 2.304914 1.362923 2.711196 0.000000 10 C 2.677517 2.401266 3.995503 1.404890 0.000000 11 C 2.356210 2.782413 4.464648 2.384287 1.337039 12 H 3.706129 2.399745 2.409605 2.034895 3.318589 13 H 5.547569 4.275202 4.371331 3.427948 4.264087 14 H 4.474247 3.293112 3.391040 2.748721 3.684716 15 H 0.998359 1.994879 2.641165 3.194098 3.675389 16 C 4.187525 3.788403 5.242731 2.545378 1.518662 17 H 3.328857 3.853070 5.534151 3.364800 2.100869 18 H 4.988747 3.955678 4.630249 2.844785 3.181214 19 H 4.565513 3.601749 4.208226 2.764530 3.332448 20 H 4.739003 4.067376 5.308013 2.711081 2.171006 21 H 4.660123 4.472793 6.015903 3.320421 2.100963 22 C 4.855678 4.540361 5.917132 3.446858 2.524990 23 H 5.911548 5.532127 6.854770 4.352774 3.460436 24 H 4.820541 4.800729 6.279033 3.908983 2.804295 25 H 4.753331 4.289568 5.463142 3.304224 2.781435 11 12 13 14 15 11 C 0.000000 12 H 4.364580 0.000000 13 H 5.564281 2.424955 0.000000 14 H 4.808620 2.422222 1.762227 0.000000 15 H 3.263679 4.289204 6.245588 5.089350 0.000000 16 C 2.450718 4.019739 4.158669 3.962190 5.183061 17 H 1.071667 5.331334 6.327044 5.646476 4.157018 18 H 4.454613 3.031701 1.749808 1.764769 5.823621 19 H 4.357853 2.140501 3.290283 3.997951 5.314415 20 H 3.329063 3.635515 3.432567 3.670606 5.720999 21 H 2.577804 4.810790 5.091808 5.022635 5.646085 22 C 3.173147 4.952918 4.601003 4.105215 5.791795 23 H 4.139577 5.644312 4.914462 4.702098 6.859616 24 H 2.975821 5.659528 5.570670 4.867112 5.702889 25 H 3.558749 4.634876 4.080988 3.328349 5.623635 16 17 18 19 20 16 C 0.000000 17 H 2.639581 0.000000 18 H 2.774154 5.055583 0.000000 19 H 3.593701 5.074393 3.611587 0.000000 20 H 1.074966 3.635696 2.256214 2.983780 0.000000 21 H 1.082631 2.395300 3.789648 3.984295 1.725356 22 C 1.536702 3.167615 2.895625 4.945994 2.169000 23 H 2.160750 3.998896 3.230327 5.421320 2.453860 24 H 2.175137 2.712957 3.879064 5.696080 3.062488 25 H 2.187298 3.796197 2.358280 5.064651 2.588997 21 22 23 24 25 21 H 0.000000 22 C 2.145302 0.000000 23 H 2.506278 1.084853 0.000000 24 H 2.457357 1.083501 1.755397 0.000000 25 H 3.059532 1.084087 1.755049 1.750459 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.430357 1.177130 -0.396578 2 6 0 2.386713 1.288633 0.774791 3 8 0 2.086734 0.735368 -1.538868 4 8 0 -3.175323 -1.770492 -0.202569 5 6 0 -2.118744 -1.217558 -0.154423 6 7 0 -2.048784 0.146152 0.103702 7 6 0 -0.954536 0.929452 0.113431 8 16 0 -1.159776 2.576110 0.407574 9 7 0 0.240380 0.312364 -0.107789 10 6 0 0.304159 -1.084982 -0.238449 11 6 0 -0.812059 -1.818480 -0.299354 12 1 0 1.000142 2.142944 -0.568805 13 1 0 3.170280 1.984243 0.501580 14 1 0 1.865429 1.671190 1.643861 15 1 0 -2.917710 0.610014 0.266554 16 6 0 1.637713 -1.811563 -0.231646 17 1 0 -0.767941 -2.884004 -0.405106 18 1 0 2.850451 0.344918 1.023260 19 1 0 1.701270 1.117920 -2.312218 20 1 0 2.445821 -1.192758 -0.577468 21 1 0 1.550920 -2.621392 -0.944902 22 6 0 1.948398 -2.403605 1.151977 23 1 0 2.921653 -2.882622 1.136992 24 1 0 1.211458 -3.147106 1.431438 25 1 0 1.960193 -1.643890 1.925241 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7896132 0.6972018 0.4265621 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.4724760500 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999967 -0.002143 0.000451 -0.007775 Ang= -0.93 deg. B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999991 0.002536 -0.000298 -0.003471 Ang= 0.49 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.082496033 A.U. after 13 cycles NFock= 13 Conv=0.55D-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 0.000976982 0.004268740 -0.001889926 2 6 -0.001158365 -0.003029832 -0.001155480 3 8 -0.001282668 0.000310768 0.006512237 4 8 -0.000482555 0.000163508 -0.000291049 5 6 0.000088424 0.000236405 0.000714313 6 7 -0.000869933 -0.000689666 -0.000407686 7 6 0.001843635 0.001437263 0.000592159 8 16 -0.000374909 -0.000123639 0.000042657 9 7 -0.000135823 -0.003734335 -0.001691729 10 6 0.000119982 -0.000274378 -0.000709972 11 6 0.000058490 -0.000178319 0.000433175 12 1 0.001826086 -0.001081943 0.000376947 13 1 0.000605073 0.000199263 0.000621842 14 1 -0.000360744 -0.000288835 -0.001117132 15 1 0.000080106 0.000340851 -0.000183243 16 6 -0.001044686 -0.000406097 0.000423282 17 1 0.000296794 0.000082430 0.000068886 18 1 -0.000143501 -0.000031262 0.000461732 19 1 0.000357749 0.002134895 -0.003047187 20 1 -0.000595699 0.001344948 0.000266720 21 1 -0.000229160 -0.000657078 -0.000260382 22 6 0.000109570 -0.000043228 -0.000012629 23 1 0.000087344 -0.000038144 -0.000002718 24 1 0.000036841 0.000102308 0.000145402 25 1 0.000190968 -0.000044625 0.000109782 ------------------------------------------------------------------- Cartesian Forces: Max 0.006512237 RMS 0.001318487 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003790700 RMS 0.000746846 Search for a local minimum. Step number 25 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 23 25 DE= -2.41D-03 DEPred=-2.54D-03 R= 9.48D-01 TightC=F SS= 1.41D+00 RLast= 9.46D-01 DXNew= 4.9766D-01 2.8381D+00 Trust test= 9.48D-01 RLast= 9.46D-01 DXMaxT set to 4.98D-01 ITU= 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 1 ITU= -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00053 0.00158 0.00234 0.00563 0.00892 Eigenvalues --- 0.01683 0.01770 0.01932 0.02026 0.02148 Eigenvalues --- 0.02329 0.03926 0.04175 0.04602 0.05196 Eigenvalues --- 0.05353 0.05480 0.05548 0.05695 0.06001 Eigenvalues --- 0.06490 0.07243 0.08352 0.09244 0.12757 Eigenvalues --- 0.15092 0.15624 0.15953 0.15993 0.16026 Eigenvalues --- 0.16079 0.16194 0.16404 0.17110 0.20122 Eigenvalues --- 0.22018 0.23109 0.23664 0.24762 0.24847 Eigenvalues --- 0.25229 0.26786 0.27271 0.28512 0.28896 Eigenvalues --- 0.30152 0.30929 0.33667 0.34620 0.34817 Eigenvalues --- 0.34835 0.34852 0.34876 0.34933 0.35119 Eigenvalues --- 0.35771 0.36608 0.38698 0.42416 0.42739 Eigenvalues --- 0.44065 0.44650 0.45628 0.48151 0.51867 Eigenvalues --- 0.55981 0.59865 0.81389 0.93141 RFO step: Lambda=-7.98157604D-04 EMin= 5.31905048D-04 Quartic linear search produced a step of 0.20133. Iteration 1 RMS(Cart)= 0.05663234 RMS(Int)= 0.00307614 Iteration 2 RMS(Cart)= 0.00340304 RMS(Int)= 0.00007452 Iteration 3 RMS(Cart)= 0.00001421 RMS(Int)= 0.00007377 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00007377 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86539 -0.00091 -0.00022 -0.00159 -0.00181 2.86358 R2 2.62584 -0.00379 -0.00243 -0.00986 -0.01229 2.61355 R3 2.83286 -0.00046 0.00452 0.00126 0.00578 2.83865 R4 2.02434 0.00065 -0.00080 -0.00024 -0.00105 2.02329 R5 2.04623 0.00053 -0.00028 0.00241 0.00214 2.04836 R6 2.04699 -0.00077 0.00032 -0.00164 -0.00132 2.04567 R7 2.04177 0.00031 -0.00002 -0.00008 -0.00011 2.04166 R8 1.78576 0.00308 0.00113 0.00844 0.00957 1.79533 R9 2.25537 0.00056 0.00045 0.00144 0.00188 2.25725 R10 2.62613 0.00001 -0.00007 -0.00068 -0.00078 2.62534 R11 2.73164 -0.00007 -0.00026 -0.00231 -0.00260 2.72905 R12 2.54309 0.00095 -0.00014 0.00085 0.00070 2.54379 R13 1.88663 0.00039 -0.00015 0.00072 0.00057 1.88720 R14 3.18469 -0.00038 0.00144 0.00125 0.00269 3.18739 R15 2.57555 0.00124 0.00037 0.00570 0.00610 2.58165 R16 2.65486 0.00102 -0.00024 0.00144 0.00124 2.65610 R17 2.52664 -0.00050 0.00039 -0.00011 0.00029 2.52692 R18 2.86985 0.00035 0.00032 0.00117 0.00150 2.87135 R19 2.02516 -0.00031 0.00013 -0.00101 -0.00087 2.02429 R20 2.03139 -0.00121 0.00082 -0.00353 -0.00272 2.02868 R21 2.04588 0.00063 -0.00025 0.00174 0.00149 2.04737 R22 2.90395 0.00000 0.00003 0.00003 0.00007 2.90401 R23 2.05007 0.00002 -0.00006 0.00014 0.00008 2.05015 R24 2.04752 -0.00001 0.00001 -0.00023 -0.00022 2.04730 R25 2.04863 0.00014 -0.00024 0.00042 0.00018 2.04881 A1 1.93961 -0.00134 -0.00336 -0.01376 -0.01713 1.92248 A2 1.97606 0.00048 -0.00251 0.00102 -0.00155 1.97451 A3 1.88725 0.00034 0.00186 0.00688 0.00867 1.89592 A4 1.92830 -0.00041 0.00716 -0.00505 0.00202 1.93033 A5 1.92216 0.00014 0.00015 -0.00380 -0.00364 1.91852 A6 1.80521 0.00098 -0.00333 0.01707 0.01370 1.81890 A7 1.88466 0.00094 -0.00081 0.00892 0.00810 1.89276 A8 1.92010 -0.00165 0.00176 -0.00875 -0.00698 1.91312 A9 1.96506 0.00070 -0.00197 0.00370 0.00172 1.96678 A10 1.90054 0.00011 0.00119 -0.00466 -0.00345 1.89709 A11 1.88445 -0.00031 -0.00029 -0.00127 -0.00159 1.88286 A12 1.90765 0.00023 0.00018 0.00198 0.00216 1.90981 A13 1.92983 -0.00292 0.00244 -0.02069 -0.01825 1.91158 A14 2.10214 0.00020 0.00056 0.00204 0.00243 2.10457 A15 2.21882 -0.00017 0.00027 0.00036 0.00045 2.21928 A16 1.96174 -0.00004 -0.00057 -0.00157 -0.00240 1.95934 A17 2.23122 0.00037 -0.00017 0.00287 0.00263 2.23386 A18 2.02909 -0.00018 -0.00000 -0.00085 -0.00087 2.02823 A19 2.02204 -0.00018 0.00009 -0.00139 -0.00131 2.02073 A20 2.06117 0.00019 -0.00169 -0.00566 -0.00738 2.05380 A21 2.03552 -0.00054 0.00103 0.00031 0.00135 2.03687 A22 2.18646 0.00034 0.00067 0.00535 0.00599 2.19244 A23 2.05560 -0.00070 -0.00048 -0.00546 -0.00626 2.04934 A24 2.11743 0.00108 0.00109 0.01391 0.01472 2.13215 A25 2.10045 -0.00030 -0.00084 -0.00258 -0.00365 2.09680 A26 2.10830 0.00019 -0.00004 0.00032 0.00032 2.10862 A27 2.11217 0.00044 0.00215 0.00865 0.01076 2.12293 A28 2.06102 -0.00067 -0.00184 -0.00927 -0.01116 2.04986 A29 2.12003 0.00031 0.00082 0.00396 0.00476 2.12479 A30 2.04928 -0.00010 -0.00044 -0.00102 -0.00146 2.04783 A31 2.11248 -0.00022 -0.00041 -0.00271 -0.00311 2.10937 A32 1.96413 -0.00044 0.00142 -0.00485 -0.00346 1.96067 A33 1.85931 0.00028 -0.00047 0.00340 0.00291 1.86223 A34 1.94539 0.00027 -0.00068 0.00181 0.00110 1.94649 A35 1.85347 0.00018 0.00036 0.00208 0.00247 1.85593 A36 1.93848 -0.00035 -0.00100 -0.00826 -0.00927 1.92921 A37 1.89780 0.00011 0.00042 0.00688 0.00730 1.90510 A38 1.91671 -0.00011 0.00020 -0.00072 -0.00053 1.91618 A39 1.93809 0.00026 0.00101 0.00733 0.00835 1.94644 A40 1.95459 -0.00014 -0.00099 -0.00567 -0.00666 1.94793 A41 1.88678 0.00001 -0.00022 -0.00014 -0.00037 1.88641 A42 1.88549 0.00001 0.00013 -0.00088 -0.00077 1.88472 A43 1.88001 -0.00003 -0.00014 0.00005 -0.00007 1.87994 D1 1.03057 0.00071 0.00449 0.12174 0.12621 1.15677 D2 3.10262 0.00046 0.00645 0.11643 0.12284 -3.05772 D3 -1.04818 0.00005 0.00660 0.11522 0.12178 -0.92641 D4 -3.07038 -0.00053 0.00944 0.10485 0.11433 -2.95605 D5 -0.99832 -0.00078 0.01141 0.09954 0.11096 -0.88736 D6 1.13406 -0.00119 0.01156 0.09833 0.10990 1.24395 D7 -1.08104 0.00114 0.00515 0.13045 0.13563 -0.94541 D8 0.99102 0.00089 0.00711 0.12513 0.13226 1.12328 D9 3.12340 0.00048 0.00726 0.12393 0.13120 -3.02859 D10 -2.56699 -0.00086 -0.10849 -0.03606 -0.14458 -2.71157 D11 1.50739 -0.00017 -0.10816 -0.02322 -0.13139 1.37600 D12 -0.47603 -0.00120 -0.10823 -0.03882 -0.14701 -0.62304 D13 1.83272 0.00127 0.00187 0.02817 0.03002 1.86274 D14 -1.45772 0.00185 -0.00005 0.07260 0.07266 -1.38506 D15 -2.26214 -0.00047 0.00120 0.00666 0.00777 -2.25437 D16 0.73061 0.00011 -0.00072 0.05109 0.05041 0.78101 D17 -0.20551 0.00003 0.00293 0.00923 0.01208 -0.19343 D18 2.78723 0.00062 0.00102 0.05365 0.05472 2.84195 D19 -3.06715 -0.00013 0.00594 -0.00661 -0.00062 -3.06778 D20 0.02846 0.00004 0.00348 0.01094 0.01442 0.04288 D21 0.10550 -0.00011 0.00026 -0.03349 -0.03322 0.07228 D22 -3.08207 0.00006 -0.00220 -0.01595 -0.01818 -3.10025 D23 3.12971 0.00001 -0.00272 -0.01135 -0.01402 3.11569 D24 -0.06800 -0.00015 -0.00322 -0.00695 -0.01017 -0.07817 D25 -0.04547 -0.00001 0.00343 0.01776 0.02122 -0.02424 D26 3.04000 -0.00017 0.00293 0.02216 0.02508 3.06508 D27 3.10517 0.00031 -0.00021 0.02445 0.02413 3.12930 D28 -0.04538 0.00025 -0.00439 0.02494 0.02052 -0.02486 D29 0.00940 0.00014 0.00224 0.00695 0.00913 0.01853 D30 -3.14116 0.00008 -0.00194 0.00744 0.00553 -3.13563 D31 2.91638 0.00047 0.00317 0.04621 0.04910 2.96549 D32 -0.07787 -0.00023 0.00491 0.00076 0.00572 -0.07215 D33 -0.23489 0.00041 -0.00133 0.04667 0.04510 -0.18980 D34 3.05403 -0.00029 0.00041 0.00122 0.00172 3.05575 D35 -2.85675 -0.00042 0.00038 -0.05925 -0.05905 -2.91580 D36 0.34871 0.00019 -0.00382 -0.05330 -0.05728 0.29143 D37 0.13221 0.00014 -0.00155 -0.01388 -0.01544 0.11677 D38 -2.94552 0.00075 -0.00575 -0.00794 -0.01367 -2.95919 D39 -0.06481 -0.00003 -0.00294 0.00329 0.00033 -0.06448 D40 3.13493 0.00013 -0.00241 -0.00133 -0.00373 3.13120 D41 3.01474 -0.00058 0.00133 -0.00186 -0.00060 3.01414 D42 -0.06871 -0.00042 0.00185 -0.00648 -0.00466 -0.07336 D43 -0.46919 -0.00007 0.00640 -0.00078 0.00560 -0.46359 D44 -2.49354 -0.00022 0.00549 -0.00277 0.00271 -2.49083 D45 1.72194 -0.00067 0.00564 -0.01415 -0.00853 1.71341 D46 2.73458 0.00049 0.00223 0.00469 0.00693 2.74152 D47 0.71024 0.00034 0.00132 0.00270 0.00404 0.71428 D48 -1.35747 -0.00010 0.00147 -0.00868 -0.00720 -1.36467 D49 -3.10404 0.00045 0.00056 -0.01048 -0.00993 -3.11397 D50 1.09328 0.00034 0.00006 -0.01448 -0.01443 1.07886 D51 -1.00922 0.00029 0.00021 -0.01576 -0.01554 -1.02476 D52 -0.89876 -0.00020 0.00114 -0.02187 -0.02072 -0.91947 D53 -2.98462 -0.00031 0.00064 -0.02587 -0.02522 -3.00984 D54 1.19606 -0.00036 0.00079 -0.02714 -0.02633 1.16973 D55 1.13464 -0.00012 0.00126 -0.01993 -0.01869 1.11595 D56 -0.95122 -0.00023 0.00077 -0.02393 -0.02319 -0.97441 D57 -3.05373 -0.00027 0.00091 -0.02521 -0.02430 -3.07803 Item Value Threshold Converged? Maximum Force 0.003791 0.000450 NO RMS Force 0.000747 0.000300 NO Maximum Displacement 0.362827 0.001800 NO RMS Displacement 0.056464 0.001200 NO Predicted change in Energy=-7.213629D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.038249 -4.996787 2.156204 2 6 0 7.135492 -5.188393 3.656234 3 8 0 7.077894 -6.222000 1.515845 4 8 0 2.864925 -2.207008 -0.069966 5 6 0 3.688094 -2.847145 0.512626 6 7 0 4.952888 -2.323658 0.749968 7 6 0 6.009923 -2.935316 1.316168 8 16 0 7.439916 -2.052868 1.462239 9 7 0 5.821801 -4.221007 1.738033 10 6 0 4.549892 -4.812969 1.652072 11 6 0 3.541434 -4.183681 1.039628 12 1 0 7.860093 -4.390417 1.834885 13 1 0 8.117926 -5.583055 3.888630 14 1 0 7.018734 -4.233613 4.152844 15 1 0 5.107202 -1.386319 0.441898 16 6 0 4.243599 -6.143872 2.318118 17 1 0 2.574303 -4.638250 0.965431 18 1 0 6.400523 -5.883220 4.036106 19 1 0 7.394776 -6.106011 0.627745 20 1 0 5.119258 -6.754467 2.431520 21 1 0 3.581705 -6.681424 1.649738 22 6 0 3.543353 -5.948872 3.672073 23 1 0 3.363340 -6.913490 4.134787 24 1 0 2.589775 -5.447519 3.557808 25 1 0 4.146907 -5.358640 4.352368 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515341 0.000000 3 O 1.383033 2.377588 0.000000 4 O 5.491387 6.403980 6.031920 0.000000 5 C 4.306489 5.219987 4.887416 1.194485 0.000000 6 N 3.670401 4.627834 4.505473 2.246217 1.389272 7 C 2.452096 3.437902 3.461607 3.513234 2.458526 8 S 3.051160 3.838984 4.185163 4.827209 3.950799 9 N 1.502147 2.518157 2.372996 4.008512 2.818125 10 C 2.545557 3.292862 2.897365 3.549022 2.430122 11 C 3.759734 4.557776 4.109510 2.365607 1.444149 12 H 1.070681 2.116394 2.017007 5.774723 4.640650 13 H 2.123844 1.083948 2.668338 7.393388 6.205322 14 H 2.137612 1.082524 3.303172 6.260462 5.125100 15 H 4.438836 5.376028 5.331116 2.441996 2.037863 16 C 3.025242 3.326641 2.946688 4.806515 3.799579 17 H 4.633930 5.324239 4.805575 2.658467 2.157225 18 H 2.174049 1.080401 2.631600 6.547885 5.384230 19 H 1.921894 3.175058 0.950047 6.017356 4.936897 20 H 2.616824 2.831557 2.226710 5.658518 4.582308 21 H 3.878429 4.345638 3.528787 4.846808 4.000754 22 C 3.926656 3.671790 4.149325 5.335228 4.429872 23 H 4.592765 4.175416 4.597273 6.330824 5.455334 24 H 4.685784 4.554160 4.991256 4.872100 4.152274 25 H 3.648826 3.073309 4.169165 5.579722 4.611045 6 7 8 9 10 6 N 0.000000 7 C 1.346117 0.000000 8 S 2.601146 1.686692 0.000000 9 N 2.308943 1.366149 2.719409 0.000000 10 C 2.678221 2.402104 4.000804 1.405546 0.000000 11 C 2.352826 2.779987 4.462860 2.385211 1.337190 12 H 3.728321 2.410293 2.404069 2.047612 3.342066 13 H 5.521986 4.251089 4.336968 3.428182 4.280899 14 H 4.415338 3.278720 3.488896 2.695203 3.561558 15 H 0.998661 1.994654 2.631907 3.197823 3.676553 16 C 4.190015 3.797188 5.261681 2.554335 1.519453 17 H 3.325873 3.850518 5.532197 3.364112 2.098798 18 H 5.056167 4.029983 4.730404 2.894651 3.202170 19 H 4.503770 3.527754 4.138403 2.694481 3.288551 20 H 4.742085 4.077157 5.331978 2.718991 2.168210 21 H 4.656163 4.476699 6.028638 3.328584 2.104404 22 C 4.864942 4.551459 5.936785 3.452152 2.526619 23 H 5.920323 5.547511 6.883794 4.363246 3.461787 24 H 4.819416 4.799325 6.280041 3.906648 2.806517 25 H 4.778913 4.308346 5.488614 3.306694 2.784198 11 12 13 14 15 11 C 0.000000 12 H 4.396133 0.000000 13 H 5.569501 2.388877 0.000000 14 H 4.667571 2.470912 1.760404 0.000000 15 H 3.261003 4.306207 6.209429 5.052935 0.000000 16 C 2.443343 4.048104 4.217989 3.836233 5.186552 17 H 1.071206 5.362551 6.337942 5.484186 4.155084 18 H 4.476795 3.033839 1.749663 1.765507 5.900264 19 H 4.325880 2.148713 3.380799 4.009190 5.248145 20 H 3.322023 3.668363 3.533750 3.595229 5.725011 21 H 2.571493 4.856707 5.176520 4.906168 5.641290 22 C 3.169490 4.943510 4.594284 3.905321 5.804872 23 H 4.130809 5.645904 4.943353 4.532546 6.872270 24 H 2.973915 5.644659 5.539699 4.630692 5.704355 25 H 3.566704 4.589437 4.004298 3.090774 5.656260 16 17 18 19 20 16 C 0.000000 17 H 2.623587 0.000000 18 H 2.769791 5.061516 0.000000 19 H 3.576130 5.050278 3.557400 0.000000 20 H 1.073529 3.620026 2.230563 2.975245 0.000000 21 H 1.083420 2.378590 3.778573 3.989371 1.726438 22 C 1.536738 3.159540 2.881016 4.911831 2.161350 23 H 2.160429 3.980466 3.208687 5.404057 2.451460 24 H 2.181026 2.715800 3.865281 5.666296 3.061849 25 H 2.182685 3.803076 2.335378 4.998003 2.565826 21 22 23 24 25 21 H 0.000000 22 C 2.151266 0.000000 23 H 2.505395 1.084895 0.000000 24 H 2.479350 1.083384 1.755101 0.000000 25 H 3.061605 1.084183 1.754673 1.750396 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.419010 1.216120 -0.360176 2 6 0 2.373123 1.262323 0.816170 3 8 0 2.094668 0.841085 -1.507178 4 8 0 -3.148354 -1.826897 -0.174267 5 6 0 -2.100735 -1.254675 -0.131235 6 7 0 -2.052208 0.114768 0.097555 7 6 0 -0.971197 0.916919 0.098264 8 16 0 -1.214997 2.559807 0.392218 9 7 0 0.236730 0.319510 -0.126188 10 6 0 0.319658 -1.077485 -0.256918 11 6 0 -0.785959 -1.828511 -0.297501 12 1 0 0.989918 2.188309 -0.490895 13 1 0 3.085646 2.061827 0.648693 14 1 0 1.821521 1.473518 1.723358 15 1 0 -2.928348 0.566503 0.257676 16 6 0 1.657072 -1.798468 -0.272576 17 1 0 -0.723832 -2.892331 -0.406628 18 1 0 2.928225 0.343584 0.938838 19 1 0 1.631678 1.167964 -2.269660 20 1 0 2.453931 -1.172497 -0.627033 21 1 0 1.565608 -2.608672 -0.986019 22 6 0 2.000952 -2.378868 1.108166 23 1 0 2.971643 -2.862040 1.072106 24 1 0 1.270648 -3.114484 1.423199 25 1 0 2.039606 -1.606172 1.867706 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7907458 0.6962712 0.4245245 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 943.9709309166 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999955 -0.004772 -0.000178 -0.008234 Ang= -1.09 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.082831362 A.U. after 13 cycles NFock= 13 Conv=0.51D-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 -0.002433982 0.001561618 0.001447649 2 6 0.000460707 -0.000161180 0.000245559 3 8 0.000291171 -0.001320314 -0.003166310 4 8 0.000398961 0.000130928 0.002404973 5 6 0.001254045 -0.001028338 -0.004711011 6 7 -0.001478606 0.000000767 0.000220293 7 6 0.001087524 0.000951289 0.001319964 8 16 -0.000518517 -0.000984384 -0.000044006 9 7 0.002059874 0.000069855 -0.001286416 10 6 -0.000529703 0.000060584 -0.000404741 11 6 -0.000783477 0.000171131 0.001220642 12 1 0.000096418 0.001135900 0.000672507 13 1 -0.000330796 0.000140339 -0.000261096 14 1 0.000351939 -0.000085945 0.000443622 15 1 0.000113176 0.000119904 0.000049147 16 6 0.000340303 -0.000035292 0.000537055 17 1 -0.000065165 -0.000021901 0.000185024 18 1 -0.000210918 0.000195349 -0.000208774 19 1 -0.001172154 -0.000982500 0.001507778 20 1 0.000964641 0.000101313 -0.000433701 21 1 -0.000114483 0.000086879 0.000294506 22 6 0.000405910 0.000027796 0.000371245 23 1 0.000126049 -0.000060752 -0.000044439 24 1 0.000064594 0.000045293 -0.000577593 25 1 -0.000377508 -0.000118338 0.000218121 ------------------------------------------------------------------- Cartesian Forces: Max 0.004711011 RMS 0.001024880 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003225959 RMS 0.000807413 Search for a local minimum. Step number 26 out of a maximum of 135 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 25 26 DE= -3.35D-04 DEPred=-7.21D-04 R= 4.65D-01 Trust test= 4.65D-01 RLast= 4.80D-01 DXMaxT set to 4.98D-01 ITU= 0 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 ITU= 1 -1 1 1 0 0 Eigenvalues --- 0.00054 0.00234 0.00285 0.00561 0.00891 Eigenvalues --- 0.01633 0.01760 0.01931 0.02027 0.02135 Eigenvalues --- 0.02318 0.03867 0.04234 0.05115 0.05349 Eigenvalues --- 0.05426 0.05539 0.05590 0.05858 0.06026 Eigenvalues --- 0.06172 0.06737 0.08248 0.09239 0.12848 Eigenvalues --- 0.15161 0.15813 0.15950 0.16000 0.16039 Eigenvalues --- 0.16075 0.16195 0.16331 0.16960 0.20004 Eigenvalues --- 0.22021 0.22982 0.23670 0.24844 0.24891 Eigenvalues --- 0.25279 0.26782 0.27237 0.28515 0.29063 Eigenvalues --- 0.30186 0.31232 0.33756 0.34641 0.34814 Eigenvalues --- 0.34822 0.34844 0.34919 0.34947 0.35131 Eigenvalues --- 0.35840 0.36614 0.39099 0.42462 0.42755 Eigenvalues --- 0.43889 0.44923 0.46696 0.48164 0.52551 Eigenvalues --- 0.55881 0.59875 0.83176 0.93127 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 RFO step: Lambda=-8.48207052D-04. DidBck=F Rises=F RFO-DIIS coefs: 0.96244 0.03756 Iteration 1 RMS(Cart)= 0.05042350 RMS(Int)= 0.01597135 Iteration 2 RMS(Cart)= 0.01493006 RMS(Int)= 0.00076055 Iteration 3 RMS(Cart)= 0.00075592 RMS(Int)= 0.00006229 Iteration 4 RMS(Cart)= 0.00000134 RMS(Int)= 0.00006228 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006228 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86358 0.00022 0.00007 -0.00275 -0.00268 2.86090 R2 2.61355 0.00278 0.00046 0.00186 0.00233 2.61588 R3 2.83865 -0.00245 -0.00022 -0.00066 -0.00088 2.83777 R4 2.02329 0.00052 0.00004 0.00381 0.00385 2.02715 R5 2.04836 -0.00041 -0.00008 -0.00233 -0.00241 2.04596 R6 2.04567 0.00009 0.00005 -0.00064 -0.00060 2.04508 R7 2.04166 -0.00006 0.00000 -0.00083 -0.00083 2.04083 R8 1.79533 -0.00192 -0.00036 -0.01046 -0.01082 1.78451 R9 2.25725 -0.00138 -0.00007 -0.00351 -0.00358 2.25367 R10 2.62534 0.00007 0.00003 -0.00007 -0.00001 2.62534 R11 2.72905 0.00049 0.00010 0.00332 0.00343 2.73248 R12 2.54379 0.00074 -0.00003 0.00210 0.00208 2.54587 R13 1.88720 0.00011 -0.00002 0.00075 0.00072 1.88792 R14 3.18739 -0.00096 -0.00010 -0.00743 -0.00753 3.17985 R15 2.58165 -0.00086 -0.00023 -0.00605 -0.00631 2.57534 R16 2.65610 -0.00119 -0.00005 0.00073 0.00065 2.65675 R17 2.52692 -0.00031 -0.00001 -0.00161 -0.00164 2.52529 R18 2.87135 -0.00017 -0.00006 -0.00225 -0.00230 2.86905 R19 2.02429 0.00006 0.00003 -0.00005 -0.00002 2.02427 R20 2.02868 0.00068 0.00010 -0.00152 -0.00142 2.02726 R21 2.04737 -0.00015 -0.00006 0.00044 0.00038 2.04775 R22 2.90401 -0.00014 -0.00000 -0.00102 -0.00103 2.90299 R23 2.05015 0.00001 -0.00000 0.00020 0.00020 2.05035 R24 2.04730 0.00003 0.00001 0.00051 0.00052 2.04782 R25 2.04881 -0.00014 -0.00001 0.00027 0.00026 2.04907 A1 1.92248 -0.00015 0.00064 -0.01318 -0.01258 1.90990 A2 1.97451 0.00146 0.00006 0.01359 0.01370 1.98821 A3 1.89592 -0.00064 -0.00033 -0.01537 -0.01570 1.88022 A4 1.93033 -0.00141 -0.00008 0.00253 0.00249 1.93281 A5 1.91852 0.00097 0.00014 0.01077 0.01078 1.92930 A6 1.81890 -0.00020 -0.00051 0.00249 0.00203 1.82093 A7 1.89276 -0.00032 -0.00030 -0.00632 -0.00662 1.88614 A8 1.91312 0.00078 0.00026 -0.00296 -0.00270 1.91041 A9 1.96678 -0.00041 -0.00006 0.00557 0.00552 1.97229 A10 1.89709 -0.00023 0.00013 0.00246 0.00257 1.89966 A11 1.88286 0.00029 0.00006 0.00286 0.00293 1.88579 A12 1.90981 -0.00012 -0.00008 -0.00160 -0.00167 1.90814 A13 1.91158 0.00149 0.00069 0.01157 0.01226 1.92384 A14 2.10457 -0.00035 -0.00009 -0.00265 -0.00309 2.10148 A15 2.21928 -0.00002 -0.00002 -0.00123 -0.00160 2.21768 A16 1.95934 0.00037 0.00009 0.00395 0.00377 1.96311 A17 2.23386 0.00001 -0.00010 -0.00132 -0.00140 2.23246 A18 2.02823 0.00010 0.00003 0.00105 0.00106 2.02929 A19 2.02073 -0.00011 0.00005 0.00008 0.00011 2.02083 A20 2.05380 0.00133 0.00028 0.00964 0.00986 2.06365 A21 2.03687 -0.00098 -0.00005 -0.00412 -0.00427 2.03260 A22 2.19244 -0.00035 -0.00022 -0.00526 -0.00554 2.18690 A23 2.04934 0.00217 0.00024 0.00894 0.00920 2.05853 A24 2.13215 -0.00323 -0.00055 -0.01404 -0.01455 2.11760 A25 2.09680 0.00107 0.00014 0.00464 0.00472 2.10152 A26 2.10862 0.00049 -0.00001 0.00101 0.00095 2.10957 A27 2.12293 -0.00296 -0.00040 -0.01367 -0.01405 2.10888 A28 2.04986 0.00247 0.00042 0.01223 0.01266 2.06252 A29 2.12479 -0.00098 -0.00018 -0.00661 -0.00679 2.11800 A30 2.04783 0.00059 0.00005 0.00311 0.00316 2.05099 A31 2.10937 0.00040 0.00012 0.00348 0.00360 2.11297 A32 1.96067 -0.00087 0.00013 -0.00481 -0.00473 1.95594 A33 1.86223 0.00011 -0.00011 -0.00045 -0.00057 1.86166 A34 1.94649 0.00060 -0.00004 0.00218 0.00212 1.94861 A35 1.85593 0.00016 -0.00009 -0.00143 -0.00149 1.85444 A36 1.92921 0.00050 0.00035 0.01320 0.01356 1.94276 A37 1.90510 -0.00053 -0.00027 -0.00979 -0.01005 1.89506 A38 1.91618 -0.00013 0.00002 -0.00130 -0.00131 1.91487 A39 1.94644 -0.00094 -0.00031 -0.01120 -0.01151 1.93493 A40 1.94793 0.00082 0.00025 0.00933 0.00959 1.95752 A41 1.88641 0.00040 0.00001 0.00169 0.00167 1.88808 A42 1.88472 -0.00021 0.00003 0.00071 0.00073 1.88545 A43 1.87994 0.00008 0.00000 0.00093 0.00097 1.88090 D1 1.15677 0.00038 -0.00474 -0.08926 -0.09395 1.06283 D2 -3.05772 0.00036 -0.00461 -0.09170 -0.09624 3.12922 D3 -0.92641 0.00048 -0.00457 -0.09206 -0.09656 -1.02297 D4 -2.95605 -0.00051 -0.00429 -0.08605 -0.09035 -3.04640 D5 -0.88736 -0.00053 -0.00417 -0.08849 -0.09264 -0.98000 D6 1.24395 -0.00041 -0.00413 -0.08885 -0.09297 1.15099 D7 -0.94541 -0.00032 -0.00509 -0.08489 -0.09006 -1.03547 D8 1.12328 -0.00034 -0.00497 -0.08732 -0.09235 1.03093 D9 -3.02859 -0.00022 -0.00493 -0.08768 -0.09267 -3.12127 D10 -2.71157 0.00007 0.00543 -0.29551 -0.29003 -3.00160 D11 1.37600 -0.00069 0.00494 -0.30528 -0.30031 1.07569 D12 -0.62304 -0.00020 0.00552 -0.31598 -0.31054 -0.93358 D13 1.86274 -0.00009 -0.00113 -0.00408 -0.00521 1.85753 D14 -1.38506 0.00012 -0.00273 -0.00869 -0.01142 -1.39648 D15 -2.25437 -0.00029 -0.00029 -0.00938 -0.00965 -2.26402 D16 0.78101 -0.00008 -0.00189 -0.01400 -0.01586 0.76515 D17 -0.19343 0.00004 -0.00045 0.00590 0.00542 -0.18801 D18 2.84195 0.00026 -0.00206 0.00129 -0.00079 2.84116 D19 -3.06778 -0.00096 0.00002 -0.01759 -0.01753 -3.08531 D20 0.04288 -0.00093 -0.00054 -0.02540 -0.02594 0.01694 D21 0.07228 0.00053 0.00125 0.02570 0.02695 0.09923 D22 -3.10025 0.00057 0.00068 0.01789 0.01855 -3.08170 D23 3.11569 0.00089 0.00053 0.01980 0.02035 3.13604 D24 -0.07817 0.00098 0.00038 0.01955 0.01993 -0.05823 D25 -0.02424 -0.00073 -0.00080 -0.02696 -0.02773 -0.05197 D26 3.06508 -0.00063 -0.00094 -0.02721 -0.02815 3.03693 D27 3.12930 -0.00032 -0.00091 -0.02442 -0.02543 3.10387 D28 -0.02486 -0.00006 -0.00077 -0.00362 -0.00436 -0.02922 D29 0.01853 -0.00036 -0.00034 -0.01666 -0.01707 0.00146 D30 -3.13563 -0.00009 -0.00021 0.00414 0.00399 -3.13164 D31 2.96549 -0.00037 -0.00184 -0.02441 -0.02629 2.93919 D32 -0.07215 -0.00030 -0.00021 -0.01869 -0.01891 -0.09106 D33 -0.18980 -0.00007 -0.00169 -0.00163 -0.00343 -0.19323 D34 3.05575 -0.00000 -0.00006 0.00408 0.00395 3.05971 D35 -2.91580 -0.00012 0.00222 0.02125 0.02343 -2.89237 D36 0.29143 -0.00023 0.00215 0.02858 0.03065 0.32209 D37 0.11677 0.00016 0.00058 0.01672 0.01729 0.13406 D38 -2.95919 0.00005 0.00051 0.02405 0.02452 -2.93467 D39 -0.06448 0.00048 -0.00001 0.00830 0.00830 -0.05619 D40 3.13120 0.00037 0.00014 0.00858 0.00876 3.13996 D41 3.01414 0.00039 0.00002 0.00033 0.00029 3.01443 D42 -0.07336 0.00028 0.00017 0.00062 0.00075 -0.07261 D43 -0.46359 -0.00015 -0.00021 -0.03004 -0.03024 -0.49383 D44 -2.49083 0.00006 -0.00010 -0.02547 -0.02558 -2.51642 D45 1.71341 0.00031 0.00032 -0.01454 -0.01424 1.69917 D46 2.74152 -0.00019 -0.00026 -0.02258 -0.02281 2.71870 D47 0.71428 0.00002 -0.00015 -0.01801 -0.01816 0.69612 D48 -1.36467 0.00027 0.00027 -0.00708 -0.00682 -1.37148 D49 -3.11397 0.00005 0.00037 0.01336 0.01372 -3.10024 D50 1.07886 0.00024 0.00054 0.01927 0.01978 1.09863 D51 -1.02476 0.00023 0.00058 0.01937 0.01995 -1.00481 D52 -0.91947 -0.00026 0.00078 0.01867 0.01948 -0.89999 D53 -3.00984 -0.00008 0.00095 0.02458 0.02554 -2.98430 D54 1.16973 -0.00009 0.00099 0.02468 0.02571 1.19544 D55 1.11595 -0.00010 0.00070 0.01874 0.01943 1.13539 D56 -0.97441 0.00008 0.00087 0.02465 0.02549 -0.94892 D57 -3.07803 0.00007 0.00091 0.02475 0.02566 -3.05237 Item Value Threshold Converged? Maximum Force 0.003226 0.000450 NO RMS Force 0.000807 0.000300 NO Maximum Displacement 0.491131 0.001800 NO RMS Displacement 0.060557 0.001200 NO Predicted change in Energy=-5.813205D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.034336 -4.986432 2.168953 2 6 0 7.138755 -5.202039 3.663799 3 8 0 7.075394 -6.210177 1.523239 4 8 0 2.884534 -2.233181 -0.115696 5 6 0 3.706253 -2.868968 0.469817 6 7 0 4.950726 -2.319651 0.751958 7 6 0 6.003145 -2.915363 1.345710 8 16 0 7.424507 -2.031611 1.519518 9 7 0 5.822849 -4.204329 1.749833 10 6 0 4.560393 -4.813658 1.642825 11 6 0 3.555649 -4.202478 1.008231 12 1 0 7.862520 -4.374384 1.868556 13 1 0 8.085620 -5.685721 3.867963 14 1 0 7.119280 -4.244833 4.168332 15 1 0 5.096754 -1.378018 0.451805 16 6 0 4.276109 -6.139746 2.325252 17 1 0 2.592932 -4.664506 0.923564 18 1 0 6.351486 -5.828810 4.055823 19 1 0 7.134880 -6.084656 0.589188 20 1 0 5.161663 -6.735604 2.432947 21 1 0 3.616593 -6.692894 1.666998 22 6 0 3.568365 -5.942540 3.674364 23 1 0 3.418219 -6.904620 4.152986 24 1 0 2.598904 -5.478120 3.537346 25 1 0 4.142135 -5.317659 4.349690 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513920 0.000000 3 O 1.384263 2.366930 0.000000 4 O 5.479131 6.418497 6.005491 0.000000 5 C 4.294980 5.237062 4.860503 1.192591 0.000000 6 N 3.668927 4.644831 4.499476 2.242644 1.389269 7 C 2.455690 3.448484 3.469443 3.510957 2.458669 8 S 3.050405 3.838127 4.193127 4.829691 3.953284 9 N 1.501682 2.527905 2.375635 3.999915 2.810980 10 C 2.535164 3.298959 2.879202 3.543975 2.426380 11 C 3.750083 4.570538 4.084691 2.364685 1.445966 12 H 1.072721 2.105172 2.027054 5.770819 4.636519 13 H 2.116799 1.082674 2.606404 7.405462 6.217744 14 H 2.134175 1.082209 3.295606 6.350804 5.217353 15 H 4.441112 5.395351 5.330362 2.438705 2.038811 16 C 2.993724 3.296323 2.912763 4.812064 3.803336 17 H 4.623927 5.335010 4.779244 2.660157 2.160862 18 H 2.176273 1.079962 2.661478 6.507678 5.349519 19 H 1.926620 3.198791 0.944323 5.778942 4.702168 20 H 2.576082 2.788496 2.183120 5.652673 4.574163 21 H 3.852914 4.314568 3.495281 4.858287 4.007954 22 C 3.897866 3.646387 4.122891 5.347104 4.442406 23 H 4.548861 4.120737 4.557713 6.350496 5.471305 24 H 4.667688 4.549995 4.963013 4.894479 4.176557 25 H 3.637327 3.076287 4.170062 5.570927 4.608632 6 7 8 9 10 6 N 0.000000 7 C 1.347219 0.000000 8 S 2.606090 1.682705 0.000000 9 N 2.303989 1.362812 2.709069 0.000000 10 C 2.676953 2.402777 3.994765 1.405891 0.000000 11 C 2.357319 2.785820 4.465662 2.385408 1.336324 12 H 3.734603 2.420617 2.408791 2.050188 3.338856 13 H 5.555850 4.286414 4.393721 3.435277 4.258986 14 H 4.481134 3.313676 3.465218 2.744360 3.640007 15 H 0.999044 1.996006 2.643034 3.193763 3.675573 16 C 4.186107 3.786662 5.238168 2.543493 1.518234 17 H 3.329713 3.855809 5.534565 3.365538 2.100115 18 H 5.019148 3.994275 4.690730 2.869841 3.171925 19 H 4.355719 3.449286 4.168522 2.569855 3.058362 20 H 4.729785 4.060101 5.299280 2.703917 2.163260 21 H 4.662882 4.479800 6.020758 3.326768 2.103062 22 C 4.855585 4.529303 5.899878 3.436262 2.526983 23 H 5.910797 5.520581 6.836060 4.341539 3.460865 24 H 4.823420 4.791644 6.263905 3.900201 2.806805 25 H 4.752426 4.272971 5.438929 3.289918 2.784972 11 12 13 14 15 11 C 0.000000 12 H 4.395321 0.000000 13 H 5.558661 2.401459 0.000000 14 H 4.763139 2.420364 1.760736 0.000000 15 H 3.265301 4.316811 6.257776 5.110950 0.000000 16 C 2.450840 4.023360 4.135030 3.882172 5.182405 17 H 1.071197 5.361505 6.315218 5.585021 4.158448 18 H 4.444038 3.030300 1.750139 1.763845 5.862836 19 H 4.065598 2.256385 3.437066 4.024359 5.130817 20 H 3.320516 3.631601 3.422141 3.612169 5.712518 21 H 2.576793 4.841902 5.082406 4.951615 5.649379 22 C 3.183747 4.915265 4.528690 3.966763 5.792730 23 H 4.148487 5.601118 4.832348 4.557692 6.859997 24 H 2.989824 5.631052 5.500587 4.727889 5.707070 25 H 3.571126 4.570236 3.989812 3.169737 5.623662 16 17 18 19 20 16 C 0.000000 17 H 2.640861 0.000000 18 H 2.720063 5.029251 0.000000 19 H 3.345076 4.770527 3.563246 0.000000 20 H 1.072777 3.628506 2.207188 2.777907 0.000000 21 H 1.083620 2.390592 3.732662 3.729608 1.725035 22 C 1.536195 3.186179 2.811442 4.717896 2.169946 23 H 2.159078 4.016014 3.125838 5.214074 2.454933 24 H 2.172541 2.737491 3.804428 5.443767 3.060832 25 H 2.189092 3.816408 2.286670 4.866845 2.593049 21 22 23 24 25 21 H 0.000000 22 C 2.143566 0.000000 23 H 2.502861 1.084998 0.000000 24 H 2.451442 1.083657 1.756471 0.000000 25 H 3.060115 1.084322 1.755333 1.751346 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.422027 1.192670 -0.383284 2 6 0 2.401847 1.255557 0.769085 3 8 0 2.084615 0.788639 -1.529547 4 8 0 -3.162194 -1.801189 -0.176882 5 6 0 -2.112290 -1.236292 -0.147470 6 7 0 -2.055038 0.128579 0.105346 7 6 0 -0.967632 0.923857 0.114393 8 16 0 -1.185951 2.567849 0.399214 9 7 0 0.229919 0.317737 -0.121714 10 6 0 0.306888 -1.080165 -0.250071 11 6 0 -0.800657 -1.826472 -0.296221 12 1 0 1.007930 2.173589 -0.513865 13 1 0 3.166638 1.980421 0.520386 14 1 0 1.886884 1.583420 1.662670 15 1 0 -2.928383 0.584656 0.270730 16 6 0 1.649369 -1.789216 -0.245254 17 1 0 -0.745675 -2.891644 -0.395461 18 1 0 2.887019 0.310318 0.962605 19 1 0 1.515217 0.863058 -2.279209 20 1 0 2.437053 -1.163378 -0.617720 21 1 0 1.565995 -2.617190 -0.939330 22 6 0 1.990120 -2.348004 1.144545 23 1 0 2.971469 -2.810278 1.122629 24 1 0 1.269311 -3.098947 1.445928 25 1 0 2.000195 -1.575016 1.904900 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7965751 0.6947461 0.4266470 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 945.3699542073 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999978 0.005163 -0.001927 0.003791 Ang= 0.77 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.082243284 A.U. after 14 cycles NFock= 14 Conv=0.46D-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 0.000975812 0.003564460 0.001244687 2 6 -0.000890921 -0.000071961 0.000552105 3 8 -0.002965452 -0.001552448 0.003027542 4 8 -0.001336989 0.000432384 -0.001912620 5 6 -0.000100829 0.001037384 0.003076552 6 7 0.000334380 -0.000487419 -0.000131273 7 6 0.002279856 0.001363090 -0.002395921 8 16 -0.000603977 0.001199628 0.000602926 9 7 0.001339583 -0.005507582 0.001289228 10 6 -0.000698099 0.000322332 0.001480323 11 6 0.001027798 -0.000283947 -0.000859411 12 1 -0.000882870 -0.000644992 -0.001700055 13 1 0.000544858 0.000166408 0.000285313 14 1 0.000177730 0.000145772 0.000473702 15 1 -0.000130696 -0.000215590 0.000107556 16 6 -0.002295490 -0.000639760 -0.000921115 17 1 0.000001568 -0.000043443 -0.000081228 18 1 0.000355235 0.000066653 -0.000036287 19 1 0.003162049 0.001047402 -0.005130045 20 1 0.000128346 0.000020895 0.000765525 21 1 -0.000052354 -0.000041906 -0.000044063 22 6 -0.000162790 0.000179563 0.000190315 23 1 -0.000041844 0.000130926 0.000020888 24 1 0.000061907 0.000009123 0.000385364 25 1 -0.000226815 -0.000196973 -0.000290007 ------------------------------------------------------------------- Cartesian Forces: Max 0.005507582 RMS 0.001445074 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005412655 RMS 0.001110340 Search for a local minimum. Step number 27 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 25 27 26 DE= 5.88D-04 DEPred=-5.81D-04 R=-1.01D+00 Trust test=-1.01D+00 RLast= 6.07D-01 DXMaxT set to 2.49D-01 ITU= -1 0 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 1 ITU= 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00233 0.00260 0.00422 0.00561 0.00886 Eigenvalues --- 0.01622 0.01763 0.01931 0.02037 0.02162 Eigenvalues --- 0.02326 0.03669 0.04185 0.04931 0.05199 Eigenvalues --- 0.05343 0.05475 0.05559 0.05667 0.05928 Eigenvalues --- 0.06163 0.06744 0.08346 0.09266 0.12712 Eigenvalues --- 0.15137 0.15592 0.15960 0.15996 0.16026 Eigenvalues --- 0.16082 0.16162 0.16337 0.16843 0.20249 Eigenvalues --- 0.22024 0.22874 0.23619 0.24793 0.24884 Eigenvalues --- 0.25280 0.26034 0.27172 0.28291 0.28962 Eigenvalues --- 0.30465 0.31756 0.33246 0.34744 0.34820 Eigenvalues --- 0.34823 0.34843 0.34871 0.34929 0.35126 Eigenvalues --- 0.35745 0.36511 0.38757 0.42482 0.42787 Eigenvalues --- 0.44055 0.45219 0.45359 0.48202 0.53970 Eigenvalues --- 0.55920 0.60161 0.82701 0.93065 RFO step: Lambda=-3.35831277D-04 EMin= 2.33110887D-03 Quartic linear search produced a step of -0.70193. Iteration 1 RMS(Cart)= 0.03107778 RMS(Int)= 0.01729758 Iteration 2 RMS(Cart)= 0.01580345 RMS(Int)= 0.00087689 Iteration 3 RMS(Cart)= 0.00087529 RMS(Int)= 0.00004244 Iteration 4 RMS(Cart)= 0.00000173 RMS(Int)= 0.00004243 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004243 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86090 0.00123 0.00188 0.00243 0.00431 2.86521 R2 2.61588 0.00143 -0.00163 0.01090 0.00926 2.62514 R3 2.83777 -0.00139 0.00062 -0.01386 -0.01324 2.82453 R4 2.02715 -0.00057 -0.00271 0.00185 -0.00086 2.02629 R5 2.04596 0.00046 0.00169 -0.00063 0.00106 2.04702 R6 2.04508 0.00035 0.00042 0.00067 0.00108 2.04616 R7 2.04083 -0.00031 0.00058 -0.00115 -0.00057 2.04027 R8 1.78451 0.00541 0.00759 -0.00152 0.00607 1.79058 R9 2.25367 0.00209 0.00251 -0.00119 0.00133 2.25500 R10 2.62534 -0.00033 0.00000 0.00001 -0.00001 2.62532 R11 2.73248 -0.00009 -0.00241 0.00207 -0.00036 2.73212 R12 2.54587 0.00004 -0.00146 0.00217 0.00070 2.54658 R13 1.88792 -0.00025 -0.00051 0.00034 -0.00017 1.88775 R14 3.17985 0.00018 0.00529 -0.00517 0.00012 3.17997 R15 2.57534 0.00347 0.00443 -0.00070 0.00375 2.57909 R16 2.65675 0.00309 -0.00046 0.00110 0.00066 2.65741 R17 2.52529 0.00023 0.00115 -0.00127 -0.00012 2.52517 R18 2.86905 0.00100 0.00162 0.00016 0.00177 2.87082 R19 2.02427 0.00002 0.00001 -0.00009 -0.00007 2.02419 R20 2.02726 0.00017 0.00100 0.00065 0.00164 2.02890 R21 2.04775 0.00008 -0.00027 0.00014 -0.00013 2.04762 R22 2.90299 0.00046 0.00072 -0.00062 0.00010 2.90309 R23 2.05035 -0.00010 -0.00014 0.00003 -0.00011 2.05024 R24 2.04782 -0.00010 -0.00036 0.00017 -0.00019 2.04763 R25 2.04907 -0.00041 -0.00018 -0.00072 -0.00091 2.04816 A1 1.90990 0.00128 0.00883 0.00525 0.01410 1.92400 A2 1.98821 -0.00051 -0.00962 0.01072 0.00111 1.98933 A3 1.88022 0.00066 0.01102 -0.00685 0.00416 1.88438 A4 1.93281 -0.00025 -0.00175 -0.01307 -0.01486 1.91795 A5 1.92930 -0.00117 -0.00756 0.00492 -0.00266 1.92663 A6 1.82093 -0.00012 -0.00142 -0.00102 -0.00251 1.81842 A7 1.88614 0.00009 0.00465 -0.00458 0.00007 1.88621 A8 1.91041 0.00045 0.00190 0.00418 0.00608 1.91649 A9 1.97229 0.00010 -0.00387 0.00299 -0.00089 1.97140 A10 1.89966 -0.00042 -0.00181 -0.00368 -0.00547 1.89419 A11 1.88579 -0.00006 -0.00205 0.00139 -0.00067 1.88512 A12 1.90814 -0.00018 0.00117 -0.00066 0.00051 1.90864 A13 1.92384 -0.00059 -0.00860 0.00912 0.00051 1.92435 A14 2.10148 0.00064 0.00217 -0.00144 0.00098 2.10246 A15 2.21768 -0.00024 0.00112 -0.00117 0.00021 2.21788 A16 1.96311 -0.00037 -0.00265 0.00126 -0.00120 1.96191 A17 2.23246 0.00076 0.00098 0.00108 0.00204 2.23449 A18 2.02929 -0.00044 -0.00074 -0.00036 -0.00111 2.02818 A19 2.02083 -0.00032 -0.00007 -0.00055 -0.00063 2.02020 A20 2.06365 -0.00161 -0.00692 0.00597 -0.00094 2.06271 A21 2.03260 0.00023 0.00300 -0.00463 -0.00158 2.03102 A22 2.18690 0.00138 0.00389 -0.00135 0.00254 2.18944 A23 2.05853 -0.00306 -0.00646 0.00379 -0.00270 2.05583 A24 2.11760 0.00452 0.01021 -0.00629 0.00388 2.12148 A25 2.10152 -0.00145 -0.00331 0.00310 -0.00017 2.10135 A26 2.10957 -0.00069 -0.00067 -0.00000 -0.00063 2.10894 A27 2.10888 0.00390 0.00986 -0.00626 0.00359 2.11246 A28 2.06252 -0.00322 -0.00888 0.00615 -0.00274 2.05978 A29 2.11800 0.00150 0.00476 -0.00285 0.00191 2.11991 A30 2.05099 -0.00077 -0.00222 0.00188 -0.00034 2.05065 A31 2.11297 -0.00074 -0.00252 0.00090 -0.00162 2.11134 A32 1.95594 0.00040 0.00332 -0.00690 -0.00355 1.95240 A33 1.86166 0.00011 0.00040 0.00233 0.00274 1.86440 A34 1.94861 -0.00033 -0.00149 0.00250 0.00102 1.94962 A35 1.85444 0.00014 0.00105 0.00080 0.00183 1.85627 A36 1.94276 -0.00035 -0.00952 0.00604 -0.00349 1.93927 A37 1.89506 0.00006 0.00705 -0.00507 0.00197 1.89703 A38 1.91487 0.00007 0.00092 -0.00126 -0.00033 1.91455 A39 1.93493 0.00053 0.00808 -0.00772 0.00036 1.93528 A40 1.95752 -0.00016 -0.00673 0.00775 0.00101 1.95853 A41 1.88808 -0.00023 -0.00118 0.00131 0.00016 1.88824 A42 1.88545 -0.00001 -0.00051 -0.00020 -0.00070 1.88475 A43 1.88090 -0.00022 -0.00068 0.00015 -0.00055 1.88035 D1 1.06283 -0.00002 0.06595 -0.02453 0.04139 1.10421 D2 3.12922 -0.00022 0.06756 -0.02925 0.03827 -3.11569 D3 -1.02297 -0.00007 0.06778 -0.02503 0.04272 -0.98025 D4 -3.04640 0.00027 0.06342 -0.02979 0.03364 -3.01276 D5 -0.98000 0.00007 0.06503 -0.03450 0.03052 -0.94948 D6 1.15099 0.00023 0.06526 -0.03029 0.03497 1.18596 D7 -1.03547 0.00026 0.06321 -0.02941 0.03384 -1.00163 D8 1.03093 0.00006 0.06482 -0.03413 0.03072 1.06165 D9 -3.12127 0.00021 0.06505 -0.02991 0.03518 -3.08609 D10 -3.00160 0.00132 0.20358 0.09957 0.30310 -2.69850 D11 1.07569 0.00121 0.21080 0.09132 0.30214 1.37783 D12 -0.93358 0.00221 0.21798 0.09738 0.31539 -0.61819 D13 1.85753 0.00015 0.00366 -0.00158 0.00207 1.85960 D14 -1.39648 0.00016 0.00801 0.00474 0.01275 -1.38373 D15 -2.26402 0.00127 0.00677 0.00316 0.00990 -2.25412 D16 0.76515 0.00128 0.01113 0.00948 0.02057 0.78573 D17 -0.18801 -0.00030 -0.00380 0.00182 -0.00194 -0.18995 D18 2.84116 -0.00030 0.00055 0.00815 0.00873 2.84990 D19 -3.08531 0.00053 0.01231 -0.02087 -0.00859 -3.09390 D20 0.01694 0.00065 0.01821 -0.01542 0.00278 0.01972 D21 0.09923 -0.00012 -0.01892 0.01061 -0.00831 0.09092 D22 -3.08170 -0.00000 -0.01302 0.01606 0.00306 -3.07864 D23 3.13604 -0.00023 -0.01429 0.02029 0.00598 -3.14116 D24 -0.05823 -0.00056 -0.01399 0.01877 0.00478 -0.05346 D25 -0.05197 0.00050 0.01946 -0.01374 0.00570 -0.04627 D26 3.03693 0.00017 0.01976 -0.01526 0.00449 3.04143 D27 3.10387 0.00082 0.01785 0.00207 0.01997 3.12385 D28 -0.02922 -0.00006 0.00306 0.00403 0.00707 -0.02215 D29 0.00146 0.00070 0.01199 -0.00336 0.00866 0.01012 D30 -3.13164 -0.00018 -0.00280 -0.00140 -0.00424 -3.13588 D31 2.93919 0.00039 0.01846 -0.01051 0.00796 2.94715 D32 -0.09106 -0.00002 0.01327 -0.01614 -0.00286 -0.09392 D33 -0.19323 -0.00054 0.00241 -0.00843 -0.00598 -0.19920 D34 3.05971 -0.00095 -0.00278 -0.01406 -0.01680 3.04291 D35 -2.89237 0.00038 -0.01644 0.00661 -0.00982 -2.90219 D36 0.32209 0.00060 -0.02152 0.00820 -0.01328 0.30881 D37 0.13406 0.00030 -0.01214 0.01311 0.00098 0.13504 D38 -2.93467 0.00052 -0.01721 0.01470 -0.00248 -2.93714 D39 -0.05619 -0.00067 -0.00582 0.00323 -0.00261 -0.05880 D40 3.13996 -0.00033 -0.00615 0.00477 -0.00141 3.13855 D41 3.01443 -0.00059 -0.00020 0.00117 0.00100 3.01543 D42 -0.07261 -0.00025 -0.00053 0.00272 0.00220 -0.07040 D43 -0.49383 0.00042 0.02123 -0.00091 0.02031 -0.47352 D44 -2.51642 -0.00003 0.01796 0.00039 0.01836 -2.49806 D45 1.69917 0.00001 0.01000 0.00371 0.01372 1.71288 D46 2.71870 0.00053 0.01601 0.00088 0.01687 2.73557 D47 0.69612 0.00009 0.01274 0.00218 0.01492 0.71104 D48 -1.37148 0.00013 0.00478 0.00549 0.01028 -1.36120 D49 -3.10024 0.00004 -0.00963 0.00213 -0.00750 -3.10774 D50 1.09863 -0.00006 -0.01388 0.00615 -0.00771 1.09092 D51 -1.00481 -0.00003 -0.01400 0.00606 -0.00794 -1.01276 D52 -0.89999 0.00005 -0.01368 -0.00040 -0.01410 -0.91409 D53 -2.98430 -0.00005 -0.01792 0.00362 -0.01430 -2.99861 D54 1.19544 -0.00002 -0.01805 0.00353 -0.01454 1.18090 D55 1.13539 0.00006 -0.01364 0.00096 -0.01268 1.12271 D56 -0.94892 -0.00004 -0.01789 0.00498 -0.01289 -0.96181 D57 -3.05237 -0.00001 -0.01801 0.00489 -0.01312 -3.06549 Item Value Threshold Converged? Maximum Force 0.005413 0.000450 NO RMS Force 0.001110 0.000300 NO Maximum Displacement 0.446954 0.001800 NO RMS Displacement 0.044331 0.001200 NO Predicted change in Energy=-3.140254D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.024884 -4.991229 2.156446 2 6 0 7.132471 -5.205890 3.653514 3 8 0 7.051780 -6.211375 1.492895 4 8 0 2.869825 -2.219416 -0.090394 5 6 0 3.696311 -2.861927 0.482359 6 7 0 4.949521 -2.323235 0.745648 7 6 0 6.004738 -2.923200 1.330935 8 16 0 7.425674 -2.038826 1.505647 9 7 0 5.819370 -4.212124 1.739567 10 6 0 4.550874 -4.812172 1.648038 11 6 0 3.544327 -4.194099 1.023185 12 1 0 7.851333 -4.380839 1.849588 13 1 0 8.094387 -5.659328 3.859694 14 1 0 7.084564 -4.252844 4.165203 15 1 0 5.096945 -1.381874 0.445613 16 6 0 4.260183 -6.137442 2.331445 17 1 0 2.577973 -4.650330 0.949760 18 1 0 6.365439 -5.859263 4.041374 19 1 0 7.371399 -6.096768 0.608285 20 1 0 5.147036 -6.731901 2.444699 21 1 0 3.602877 -6.692446 1.672656 22 6 0 3.551793 -5.937956 3.679945 23 1 0 3.390982 -6.900315 4.154391 24 1 0 2.587549 -5.462955 3.543177 25 1 0 4.129767 -5.322248 4.359328 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516202 0.000000 3 O 1.389166 2.384489 0.000000 4 O 5.476838 6.411398 5.994272 0.000000 5 C 4.291375 5.230448 4.847593 1.193292 0.000000 6 N 3.662742 4.640114 4.482801 2.243854 1.389262 7 C 2.449267 3.446277 3.454652 3.513285 2.460218 8 S 3.049730 3.837915 4.189287 4.830706 3.953830 9 N 1.494677 2.524876 2.361501 4.002431 2.812647 10 C 2.532048 3.292657 2.869907 3.545484 2.427456 11 C 3.746195 4.562579 4.073359 2.365245 1.445777 12 H 1.072266 2.109886 2.029133 5.766342 4.630402 13 H 2.119256 1.083235 2.644527 7.398124 6.210871 14 H 2.140999 1.082782 3.313330 6.325263 5.194059 15 H 4.435239 5.390463 5.314345 2.439024 2.038059 16 C 2.998000 3.296315 2.915758 4.811375 3.803428 17 H 4.620317 5.325635 4.769361 2.660158 2.160446 18 H 2.177454 1.079662 2.662667 6.522217 5.364220 19 H 1.933673 3.181850 0.947537 5.982155 4.897583 20 H 2.576693 2.780629 2.192015 5.654636 4.575159 21 H 3.852055 4.311808 3.486929 4.863508 4.012282 22 C 3.908927 3.654843 4.136165 5.339296 4.439301 23 H 4.565264 4.137716 4.578170 6.340396 5.466774 24 H 4.672846 4.553523 4.969220 4.878839 4.166930 25 H 3.652940 3.086737 4.188693 5.569115 4.612152 6 7 8 9 10 6 N 0.000000 7 C 1.347591 0.000000 8 S 2.605729 1.682766 0.000000 9 N 2.304867 1.364795 2.712592 0.000000 10 C 2.677319 2.404681 3.997024 1.406242 0.000000 11 C 2.356211 2.786308 4.465739 2.385235 1.336261 12 H 3.724638 2.409071 2.405100 2.041921 3.334621 13 H 5.542290 4.271726 4.369982 3.430021 4.262110 14 H 4.469357 3.311653 3.477279 2.736071 3.615045 15 H 0.998956 1.995888 2.641636 3.194765 3.675726 16 C 4.187853 3.791549 5.244133 2.547201 1.519173 17 H 3.328855 3.856292 5.534363 3.364888 2.099077 18 H 5.036877 4.012113 4.706352 2.882634 3.180739 19 H 4.485968 3.530087 4.156332 2.690813 3.269041 20 H 4.728861 4.059843 5.300846 2.701578 2.162276 21 H 4.665062 4.482513 6.024770 3.327058 2.105881 22 C 4.861065 4.541315 5.910816 3.447531 2.528675 23 H 5.915931 5.533630 6.850450 4.353713 3.462296 24 H 4.823166 4.798077 6.267666 3.906694 2.805301 25 H 4.767050 4.294428 5.457780 3.309121 2.790807 11 12 13 14 15 11 C 0.000000 12 H 4.389546 0.000000 13 H 5.558392 2.394605 0.000000 14 H 4.733815 2.442619 1.758203 0.000000 15 H 3.263865 4.307156 6.239969 5.101808 0.000000 16 C 2.449607 4.026686 4.155149 3.858951 5.183817 17 H 1.071158 5.356365 6.317960 5.550354 4.157184 18 H 4.454313 3.032745 1.749927 1.764386 5.880951 19 H 4.294038 2.171539 3.359424 4.016715 5.237349 20 H 3.321117 3.632475 3.440858 3.586066 5.711536 21 H 2.582049 4.839857 5.101386 4.928143 5.651552 22 C 3.177966 4.925532 4.554680 3.944052 5.797092 23 H 4.141445 5.617349 4.873286 4.544422 6.864294 24 H 2.979225 5.634415 5.519421 4.698343 5.705014 25 H 3.570057 4.586404 4.010171 3.148354 5.637299 16 17 18 19 20 16 C 0.000000 17 H 2.636359 0.000000 18 H 2.726416 5.036318 0.000000 19 H 3.556768 5.018537 3.585312 0.000000 20 H 1.073646 3.628755 2.189834 2.953575 0.000000 21 H 1.083552 2.396507 3.733198 3.960994 1.726857 22 C 1.536250 3.171785 2.837856 4.904050 2.168175 23 H 2.158846 3.999135 3.153404 5.391129 2.456651 24 H 2.172770 2.717769 3.831150 5.648055 3.060694 25 H 2.189488 3.805876 2.321144 5.017807 2.586071 21 22 23 24 25 21 H 0.000000 22 C 2.145012 0.000000 23 H 2.499423 1.084940 0.000000 24 H 2.457923 1.083557 1.756442 0.000000 25 H 3.061579 1.083841 1.754451 1.750524 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.413689 1.200833 -0.374665 2 6 0 2.390513 1.259976 0.783431 3 8 0 2.066473 0.801271 -1.533977 4 8 0 -3.149931 -1.820657 -0.175330 5 6 0 -2.103389 -1.247850 -0.151042 6 7 0 -2.053957 0.118664 0.094402 7 6 0 -0.971576 0.921356 0.106286 8 16 0 -1.200968 2.560515 0.409992 9 7 0 0.231291 0.320495 -0.127688 10 6 0 0.315958 -1.077623 -0.252641 11 6 0 -0.787935 -1.829200 -0.298973 12 1 0 0.991613 2.178325 -0.501612 13 1 0 3.132474 2.016599 0.558902 14 1 0 1.869713 1.546619 1.688428 15 1 0 -2.929928 0.568801 0.261627 16 6 0 1.660747 -1.784316 -0.248764 17 1 0 -0.726066 -2.894076 -0.396900 18 1 0 2.905792 0.325549 0.947761 19 1 0 1.606087 1.122861 -2.297162 20 1 0 2.447964 -1.147777 -0.606289 21 1 0 1.586561 -2.603457 -0.954163 22 6 0 1.997885 -2.356522 1.136509 23 1 0 2.977180 -2.822814 1.111067 24 1 0 1.273656 -3.106661 1.431265 25 1 0 2.011421 -1.591161 1.903811 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7934349 0.6958801 0.4265978 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.8795315404 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999995 0.002498 -0.001514 0.001038 Ang= 0.36 deg. B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999993 -0.002683 0.000415 -0.002747 Ang= -0.44 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -966.082956072 A.U. after 13 cycles NFock= 13 Conv=0.43D-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 0.000548094 -0.000318721 -0.001744714 2 6 -0.000041678 -0.000522709 -0.000277519 3 8 0.001127057 0.000018982 0.002571530 4 8 -0.000312083 0.000042506 -0.001369898 5 6 -0.000566464 0.000552985 0.002736521 6 7 0.000969533 -0.000024114 -0.000488378 7 6 -0.001020823 -0.000343913 -0.000757655 8 16 0.000224289 0.000642938 0.000065533 9 7 -0.000396838 -0.000039393 0.000839404 10 6 0.000002064 -0.000047003 0.000508771 11 6 0.000577818 0.000067403 -0.000838918 12 1 -0.000017464 -0.000891345 -0.000248653 13 1 0.000094663 -0.000120569 0.000033780 14 1 -0.000240321 0.000121604 -0.000317683 15 1 -0.000128790 -0.000145157 0.000074837 16 6 -0.000065321 -0.000114056 -0.000274616 17 1 -0.000069901 0.000018785 -0.000087853 18 1 0.000029383 0.000022155 0.000159405 19 1 -0.000022213 0.001105516 -0.000681553 20 1 -0.000553929 -0.000264304 0.000185441 21 1 0.000224282 0.000120293 -0.000123779 22 6 -0.000416790 0.000012759 -0.000234629 23 1 -0.000089286 0.000055699 0.000026682 24 1 -0.000057384 -0.000040963 0.000401350 25 1 0.000202103 0.000090621 -0.000157408 ------------------------------------------------------------------- Cartesian Forces: Max 0.002736521 RMS 0.000645085 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001993597 RMS 0.000543684 Search for a local minimum. Step number 28 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 25 27 26 28 DE= -1.25D-04 DEPred=-3.14D-04 R= 3.97D-01 Trust test= 3.97D-01 RLast= 2.01D-01 DXMaxT set to 2.49D-01 ITU= 0 -1 0 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 0 ITU= 1 1 1 -1 1 1 0 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00232 0.00262 0.00552 0.00568 0.00891 Eigenvalues --- 0.01606 0.01758 0.01930 0.02002 0.02164 Eigenvalues --- 0.02329 0.03930 0.04212 0.05103 0.05338 Eigenvalues --- 0.05459 0.05550 0.05613 0.05748 0.05979 Eigenvalues --- 0.06143 0.06875 0.08417 0.09285 0.12821 Eigenvalues --- 0.15225 0.15706 0.15960 0.16002 0.16048 Eigenvalues --- 0.16082 0.16192 0.16390 0.17071 0.20313 Eigenvalues --- 0.22042 0.22878 0.23760 0.24857 0.24891 Eigenvalues --- 0.25284 0.26554 0.27310 0.28329 0.29035 Eigenvalues --- 0.30442 0.31716 0.33570 0.34775 0.34820 Eigenvalues --- 0.34841 0.34871 0.34920 0.35043 0.35227 Eigenvalues --- 0.35795 0.36565 0.39032 0.42501 0.42798 Eigenvalues --- 0.44194 0.45229 0.46435 0.48213 0.54023 Eigenvalues --- 0.56098 0.60909 0.85005 0.93191 RFO step: Lambda=-4.43731716D-05 EMin= 2.32433959D-03 Quartic linear search produced a step of -0.36781. Iteration 1 RMS(Cart)= 0.00874917 RMS(Int)= 0.00017068 Iteration 2 RMS(Cart)= 0.00017120 RMS(Int)= 0.00001424 Iteration 3 RMS(Cart)= 0.00000010 RMS(Int)= 0.00001424 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86521 -0.00034 -0.00060 -0.00038 -0.00098 2.86422 R2 2.62514 -0.00187 -0.00426 -0.00057 -0.00483 2.62031 R3 2.82453 0.00136 0.00519 -0.00024 0.00495 2.82948 R4 2.02629 -0.00045 -0.00110 0.00009 -0.00101 2.02528 R5 2.04702 0.00014 0.00050 -0.00014 0.00036 2.04737 R6 2.04616 -0.00003 -0.00018 0.00007 -0.00011 2.04605 R7 2.04027 0.00002 0.00051 -0.00010 0.00041 2.04068 R8 1.79058 0.00076 0.00174 0.00018 0.00192 1.79251 R9 2.25500 0.00090 0.00083 0.00011 0.00094 2.25593 R10 2.62532 -0.00029 0.00001 -0.00021 -0.00021 2.62511 R11 2.73212 -0.00033 -0.00113 0.00024 -0.00091 2.73122 R12 2.54658 -0.00054 -0.00102 0.00018 -0.00085 2.54573 R13 1.88775 -0.00018 -0.00021 -0.00009 -0.00030 1.88746 R14 3.17997 0.00053 0.00273 -0.00049 0.00224 3.18221 R15 2.57909 0.00079 0.00094 0.00048 0.00143 2.58052 R16 2.65741 0.00098 -0.00048 0.00043 -0.00004 2.65737 R17 2.52517 0.00039 0.00065 0.00018 0.00083 2.52599 R18 2.87082 0.00019 0.00019 0.00038 0.00058 2.87140 R19 2.02419 0.00006 0.00003 0.00006 0.00009 2.02429 R20 2.02890 -0.00029 -0.00008 0.00042 0.00034 2.02924 R21 2.04762 -0.00012 -0.00009 -0.00032 -0.00041 2.04720 R22 2.90309 0.00021 0.00034 0.00027 0.00061 2.90370 R23 2.05024 -0.00002 -0.00003 -0.00003 -0.00006 2.05018 R24 2.04763 -0.00002 -0.00012 0.00002 -0.00010 2.04753 R25 2.04816 0.00006 0.00024 -0.00008 0.00016 2.04833 A1 1.92400 -0.00067 -0.00056 -0.00313 -0.00370 1.92031 A2 1.98933 -0.00063 -0.00545 0.00144 -0.00402 1.98531 A3 1.88438 0.00049 0.00425 0.00025 0.00449 1.88887 A4 1.91795 0.00143 0.00455 0.00200 0.00656 1.92451 A5 1.92663 -0.00057 -0.00298 -0.00062 -0.00360 1.92303 A6 1.81842 -0.00006 0.00018 0.00018 0.00035 1.81876 A7 1.88621 0.00009 0.00241 -0.00050 0.00191 1.88812 A8 1.91649 -0.00058 -0.00124 -0.00050 -0.00174 1.91476 A9 1.97140 0.00030 -0.00170 0.00037 -0.00133 1.97007 A10 1.89419 0.00025 0.00107 0.00033 0.00140 1.89559 A11 1.88512 -0.00011 -0.00083 0.00059 -0.00025 1.88487 A12 1.90864 0.00006 0.00043 -0.00027 0.00016 1.90880 A13 1.92435 -0.00174 -0.00470 -0.00260 -0.00730 1.91705 A14 2.10246 0.00019 0.00078 0.00008 0.00095 2.10340 A15 2.21788 0.00007 0.00051 0.00001 0.00061 2.21849 A16 1.96191 -0.00022 -0.00095 -0.00012 -0.00100 1.96091 A17 2.23449 0.00002 -0.00023 0.00009 -0.00015 2.23434 A18 2.02818 -0.00009 0.00002 -0.00000 0.00002 2.02820 A19 2.02020 0.00007 0.00019 -0.00003 0.00016 2.02037 A20 2.06271 -0.00100 -0.00328 0.00018 -0.00311 2.05960 A21 2.03102 0.00080 0.00215 0.00008 0.00225 2.03327 A22 2.18944 0.00020 0.00110 -0.00026 0.00084 2.19028 A23 2.05583 -0.00109 -0.00239 0.00022 -0.00219 2.05364 A24 2.12148 0.00199 0.00392 0.00022 0.00413 2.12560 A25 2.10135 -0.00091 -0.00167 -0.00042 -0.00207 2.09928 A26 2.10894 -0.00038 -0.00012 -0.00021 -0.00031 2.10863 A27 2.11246 0.00192 0.00385 -0.00004 0.00380 2.11627 A28 2.05978 -0.00154 -0.00365 0.00038 -0.00328 2.05650 A29 2.11991 0.00072 0.00179 0.00019 0.00197 2.12188 A30 2.05065 -0.00045 -0.00104 -0.00022 -0.00125 2.04940 A31 2.11134 -0.00027 -0.00073 -0.00004 -0.00077 2.11058 A32 1.95240 0.00061 0.00304 0.00037 0.00342 1.95582 A33 1.86440 -0.00015 -0.00080 -0.00077 -0.00157 1.86283 A34 1.94962 -0.00044 -0.00115 -0.00030 -0.00145 1.94817 A35 1.85627 -0.00015 -0.00012 0.00002 -0.00011 1.85617 A36 1.93927 -0.00020 -0.00370 0.00112 -0.00259 1.93669 A37 1.89703 0.00034 0.00297 -0.00055 0.00242 1.89945 A38 1.91455 0.00010 0.00060 0.00005 0.00066 1.91521 A39 1.93528 0.00064 0.00410 -0.00011 0.00399 1.93928 A40 1.95853 -0.00051 -0.00390 0.00015 -0.00376 1.95477 A41 1.88824 -0.00029 -0.00067 -0.00001 -0.00068 1.88756 A42 1.88475 0.00013 -0.00001 0.00005 0.00004 1.88479 A43 1.88035 -0.00008 -0.00015 -0.00013 -0.00029 1.88006 D1 1.10421 -0.00051 0.01933 -0.01238 0.00695 1.11117 D2 -3.11569 -0.00048 0.02132 -0.01255 0.00877 -3.10692 D3 -0.98025 -0.00062 0.01980 -0.01300 0.00680 -0.97345 D4 -3.01276 0.00039 0.02086 -0.01112 0.00974 -3.00302 D5 -0.94948 0.00042 0.02285 -0.01128 0.01156 -0.93792 D6 1.18596 0.00028 0.02133 -0.01174 0.00959 1.19554 D7 -1.00163 0.00028 0.02068 -0.00992 0.01077 -0.99086 D8 1.06165 0.00031 0.02267 -0.01009 0.01259 1.07424 D9 -3.08609 0.00017 0.02115 -0.01054 0.01061 -3.07548 D10 -2.69850 -0.00025 -0.00481 -0.04315 -0.04796 -2.74646 D11 1.37783 -0.00000 -0.00067 -0.04419 -0.04486 1.33297 D12 -0.61819 -0.00043 -0.00178 -0.04520 -0.04698 -0.66517 D13 1.85960 0.00023 0.00115 -0.00040 0.00075 1.86035 D14 -1.38373 0.00008 -0.00049 -0.00030 -0.00079 -1.38452 D15 -2.25412 0.00001 -0.00009 -0.00190 -0.00198 -2.25611 D16 0.78573 -0.00015 -0.00173 -0.00180 -0.00352 0.78220 D17 -0.18995 0.00000 -0.00128 -0.00156 -0.00283 -0.19279 D18 2.84990 -0.00016 -0.00292 -0.00145 -0.00437 2.84552 D19 -3.09390 0.00047 0.00961 -0.00084 0.00876 -3.08514 D20 0.01972 0.00055 0.00852 0.00174 0.01026 0.02998 D21 0.09092 -0.00033 -0.00686 -0.00010 -0.00695 0.08397 D22 -3.07864 -0.00024 -0.00795 0.00249 -0.00545 -3.08410 D23 -3.14116 -0.00046 -0.00969 0.00113 -0.00856 3.13347 D24 -0.05346 -0.00054 -0.00909 -0.00050 -0.00959 -0.06305 D25 -0.04627 0.00041 0.00810 0.00032 0.00842 -0.03785 D26 3.04143 0.00032 0.00870 -0.00131 0.00739 3.04881 D27 3.12385 0.00025 0.00201 0.00270 0.00471 3.12856 D28 -0.02215 0.00012 -0.00100 0.00185 0.00085 -0.02130 D29 0.01012 0.00017 0.00309 0.00012 0.00322 0.01334 D30 -3.13588 0.00004 0.00009 -0.00073 -0.00064 -3.13652 D31 2.94715 0.00009 0.00674 -0.00362 0.00311 2.95027 D32 -0.09392 0.00007 0.00801 -0.00376 0.00425 -0.08967 D33 -0.19920 -0.00005 0.00346 -0.00454 -0.00108 -0.20028 D34 3.04291 -0.00007 0.00472 -0.00468 0.00006 3.04296 D35 -2.90219 0.00014 -0.00500 0.00399 -0.00102 -2.90321 D36 0.30881 0.00016 -0.00639 0.00167 -0.00473 0.30408 D37 0.13504 -0.00003 -0.00672 0.00413 -0.00259 0.13245 D38 -2.93714 -0.00000 -0.00811 0.00181 -0.00630 -2.94345 D39 -0.05880 -0.00030 -0.00209 -0.00232 -0.00442 -0.06322 D40 3.13855 -0.00021 -0.00270 -0.00063 -0.00334 3.13521 D41 3.01543 -0.00020 -0.00047 -0.00008 -0.00056 3.01487 D42 -0.07040 -0.00011 -0.00109 0.00161 0.00052 -0.06989 D43 -0.47352 0.00008 0.00365 0.00136 0.00501 -0.46851 D44 -2.49806 0.00002 0.00266 0.00159 0.00425 -2.49381 D45 1.71288 -0.00005 0.00019 0.00290 0.00310 1.71598 D46 2.73557 0.00006 0.00219 -0.00088 0.00130 2.73688 D47 0.71104 0.00001 0.00119 -0.00065 0.00054 0.71158 D48 -1.36120 -0.00007 -0.00127 0.00066 -0.00061 -1.36182 D49 -3.10774 -0.00011 -0.00229 0.00092 -0.00137 -3.10912 D50 1.09092 -0.00022 -0.00444 0.00097 -0.00347 1.08746 D51 -1.01276 -0.00021 -0.00442 0.00110 -0.00331 -1.01607 D52 -0.91409 0.00021 -0.00198 0.00204 0.00005 -0.91404 D53 -2.99861 0.00010 -0.00413 0.00209 -0.00204 -3.00065 D54 1.18090 0.00011 -0.00411 0.00223 -0.00189 1.17901 D55 1.12271 0.00011 -0.00248 0.00238 -0.00011 1.12260 D56 -0.96181 0.00000 -0.00463 0.00243 -0.00220 -0.96401 D57 -3.06549 0.00001 -0.00461 0.00257 -0.00205 -3.06754 Item Value Threshold Converged? Maximum Force 0.001994 0.000450 NO RMS Force 0.000544 0.000300 NO Maximum Displacement 0.046074 0.001800 NO RMS Displacement 0.008776 0.001200 NO Predicted change in Energy=-8.600918D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.031948 -4.991974 2.157241 2 6 0 7.138133 -5.199994 3.654821 3 8 0 7.065737 -6.214826 1.504419 4 8 0 2.870098 -2.218865 -0.088102 5 6 0 3.695139 -2.859122 0.490264 6 7 0 4.951238 -2.324126 0.746646 7 6 0 6.006651 -2.926363 1.328200 8 16 0 7.428007 -2.039590 1.498728 9 7 0 5.821754 -4.214937 1.740664 10 6 0 4.552219 -4.812974 1.650730 11 6 0 3.545744 -4.192727 1.026982 12 1 0 7.856279 -4.382811 1.844183 13 1 0 8.104334 -5.641819 3.867081 14 1 0 7.076076 -4.245095 4.161388 15 1 0 5.099995 -1.383600 0.445179 16 6 0 4.256255 -6.140309 2.328522 17 1 0 2.579525 -4.649167 0.952367 18 1 0 6.376815 -5.860839 4.041887 19 1 0 7.347018 -6.092874 0.606777 20 1 0 5.139563 -6.739882 2.444214 21 1 0 3.599463 -6.689755 1.664938 22 6 0 3.546141 -5.941736 3.676618 23 1 0 3.379358 -6.904496 4.148103 24 1 0 2.584819 -5.459778 3.544089 25 1 0 4.129691 -5.332340 4.357062 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515682 0.000000 3 O 1.386610 2.378939 0.000000 4 O 5.482034 6.411921 6.008929 0.000000 5 C 4.296761 5.229561 4.863146 1.193788 0.000000 6 N 3.665589 4.637953 4.492536 2.244778 1.389149 7 C 2.450569 3.444243 3.459293 3.513464 2.459623 8 S 3.050749 3.836784 4.190927 4.829565 3.952585 9 N 1.497295 2.523329 2.367038 4.005117 2.815000 10 C 2.537252 3.294407 2.881730 3.547178 2.428745 11 C 3.750986 4.563484 4.087443 2.365595 1.445298 12 H 1.071730 2.112327 2.024025 5.768742 4.633552 13 H 2.120345 1.083424 2.643708 7.399818 6.211867 14 H 2.139247 1.082725 3.307481 6.313004 5.179653 15 H 4.436661 5.387084 5.322301 2.440184 2.037846 16 C 3.008735 3.308850 2.928804 4.810325 3.802661 17 H 4.625290 5.328000 4.783530 2.659582 2.159258 18 H 2.176239 1.079881 2.653048 6.528235 5.368027 19 H 1.927483 3.182992 0.948553 5.961008 4.879236 20 H 2.592037 2.798412 2.206591 5.657092 4.578709 21 H 3.860930 4.324490 3.502340 4.857364 4.007838 22 C 3.919362 3.667842 4.144947 5.337595 4.435939 23 H 4.578502 4.156566 4.588474 6.337185 5.463017 24 H 4.681788 4.562063 4.980861 4.876240 4.161979 25 H 3.657616 3.092149 4.187687 5.571336 4.610615 6 7 8 9 10 6 N 0.000000 7 C 1.347142 0.000000 8 S 2.604030 1.683953 0.000000 9 N 2.306737 1.365553 2.714906 0.000000 10 C 2.677863 2.403892 3.998114 1.406220 0.000000 11 C 2.354924 2.783967 4.464359 2.385384 1.336698 12 H 3.725860 2.410104 2.406957 2.044062 3.337555 13 H 5.539514 4.268476 4.363779 3.430424 4.268104 14 H 4.457075 3.302979 3.475322 2.726561 3.604961 15 H 0.998800 1.995463 2.638167 3.196199 3.676142 16 C 4.189103 3.793940 5.250187 2.550181 1.519479 17 H 3.327636 3.854153 5.533189 3.364821 2.099063 18 H 5.039764 4.014009 4.708992 2.883178 3.185091 19 H 4.467974 3.513378 4.151054 2.671850 3.246364 20 H 4.734565 4.066971 5.312595 2.708453 2.165078 21 H 4.661467 4.480074 6.025729 3.327017 2.104817 22 C 4.862729 4.545508 5.919360 3.450821 2.527947 23 H 5.917812 5.538958 6.861345 4.358301 3.462216 24 H 4.822648 4.799717 6.271974 3.908928 2.806034 25 H 4.770680 4.299500 5.467281 3.310166 2.787921 11 12 13 14 15 11 C 0.000000 12 H 4.391430 0.000000 13 H 5.562982 2.395568 0.000000 14 H 4.721280 2.448901 1.759195 0.000000 15 H 3.262727 4.306923 6.234412 5.089524 0.000000 16 C 2.447838 4.035289 4.174131 3.860392 5.185091 17 H 1.071207 5.358210 6.324906 5.538959 4.156193 18 H 4.459508 3.033691 1.750100 1.764618 5.883218 19 H 4.270458 2.171368 3.377360 4.015340 5.220392 20 H 3.322169 3.646418 3.467010 3.594820 5.717296 21 H 2.577794 4.845060 5.122643 4.929043 5.647539 22 C 3.174839 4.936127 4.572018 3.946395 5.799419 23 H 4.137967 5.631141 4.898849 4.553934 6.866770 24 H 2.977352 5.642501 5.531953 4.693389 5.704786 25 H 3.567792 4.593867 4.016671 3.146677 5.642417 16 17 18 19 20 16 C 0.000000 17 H 2.632249 0.000000 18 H 2.740529 5.043084 0.000000 19 H 3.538287 4.993267 3.577026 0.000000 20 H 1.073828 3.626361 2.203649 2.944087 0.000000 21 H 1.083333 2.389986 3.748423 3.939561 1.726758 22 C 1.536573 3.166484 2.855290 4.888091 2.166760 23 H 2.159584 3.992364 3.175728 5.379781 2.455332 24 H 2.175873 2.715537 3.845502 5.630910 3.061880 25 H 2.187191 3.802853 2.329852 4.999424 2.580698 21 22 23 24 25 21 H 0.000000 22 C 2.146912 0.000000 23 H 2.502132 1.084906 0.000000 24 H 2.464458 1.083507 1.755943 0.000000 25 H 3.061249 1.083927 1.754519 1.750369 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.417085 1.204667 -0.372793 2 6 0 2.387872 1.261793 0.789791 3 8 0 2.079664 0.811939 -1.525807 4 8 0 -3.152312 -1.817767 -0.177367 5 6 0 -2.104455 -1.246708 -0.145477 6 7 0 -2.053328 0.120705 0.093899 7 6 0 -0.970057 0.921473 0.103276 8 16 0 -1.201692 2.561546 0.406924 9 7 0 0.234059 0.320218 -0.127658 10 6 0 0.316076 -1.078071 -0.252234 11 6 0 -0.789832 -1.827473 -0.298336 12 1 0 0.993409 2.180326 -0.503924 13 1 0 3.125762 2.025969 0.576811 14 1 0 1.858829 1.534833 1.694145 15 1 0 -2.928555 0.572542 0.259499 16 6 0 1.657341 -1.792089 -0.253576 17 1 0 -0.729552 -2.892230 -0.399047 18 1 0 2.909225 0.329356 0.947572 19 1 0 1.596636 1.101415 -2.289116 20 1 0 2.449884 -1.160920 -0.609396 21 1 0 1.575743 -2.607765 -0.961831 22 6 0 1.993146 -2.368794 1.130512 23 1 0 2.969037 -2.841991 1.103244 24 1 0 1.265270 -3.113380 1.430138 25 1 0 2.014391 -1.601517 1.895843 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7922163 0.6957738 0.4258036 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.4945202581 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000574 0.000523 0.000444 Ang= -0.10 deg. ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+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) = -966.083044791 A.U. after 12 cycles NFock= 12 Conv=0.45D-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 -0.000202387 0.000275943 -0.000082688 2 6 0.000127900 -0.000050543 -0.000034666 3 8 0.000232329 -0.000166708 -0.000145597 4 8 0.000070735 -0.000057044 0.000070324 5 6 0.000006803 0.000010047 0.000018495 6 7 0.000103342 -0.000086750 -0.000188232 7 6 -0.000175417 0.000199776 0.000146715 8 16 -0.000052886 0.000005114 -0.000033603 9 7 0.000221164 -0.000099816 0.000050557 10 6 -0.000060490 -0.000086444 -0.000070139 11 6 0.000053675 0.000069126 0.000056667 12 1 0.000016710 -0.000078613 0.000081510 13 1 -0.000034492 -0.000000232 -0.000031260 14 1 -0.000042651 0.000003705 -0.000025704 15 1 -0.000011518 -0.000002212 0.000037030 16 6 0.000022671 0.000036150 0.000015410 17 1 -0.000049230 -0.000000673 0.000017515 18 1 -0.000066516 0.000028987 0.000019462 19 1 -0.000090984 -0.000017841 0.000124952 20 1 -0.000126266 0.000048413 0.000021044 21 1 0.000031377 -0.000021829 -0.000034896 22 6 -0.000023761 -0.000020394 -0.000045645 23 1 -0.000010596 0.000007363 0.000000315 24 1 0.000008188 -0.000017653 0.000027345 25 1 0.000052303 0.000022128 0.000005089 ------------------------------------------------------------------- Cartesian Forces: Max 0.000275943 RMS 0.000088075 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000175918 RMS 0.000051082 Search for a local minimum. Step number 29 out of a maximum of 135 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 25 27 26 28 29 DE= -8.87D-05 DEPred=-8.60D-05 R= 1.03D+00 TightC=F SS= 1.41D+00 RLast= 9.29D-02 DXNew= 4.1848D-01 2.7861D-01 Trust test= 1.03D+00 RLast= 9.29D-02 DXMaxT set to 2.79D-01 ITU= 1 0 -1 0 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 1 ITU= 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00232 0.00265 0.00529 0.00559 0.00889 Eigenvalues --- 0.01595 0.01749 0.01926 0.01987 0.02177 Eigenvalues --- 0.02337 0.03940 0.04227 0.05105 0.05346 Eigenvalues --- 0.05458 0.05543 0.05622 0.05749 0.06031 Eigenvalues --- 0.06131 0.06910 0.08407 0.09271 0.12791 Eigenvalues --- 0.15253 0.15690 0.15966 0.16002 0.16046 Eigenvalues --- 0.16082 0.16195 0.16411 0.17049 0.20176 Eigenvalues --- 0.22043 0.22880 0.23773 0.24868 0.24904 Eigenvalues --- 0.25273 0.26458 0.27331 0.28317 0.29038 Eigenvalues --- 0.30450 0.31601 0.33610 0.34777 0.34820 Eigenvalues --- 0.34841 0.34874 0.34924 0.35064 0.35264 Eigenvalues --- 0.35781 0.36600 0.38994 0.42500 0.42806 Eigenvalues --- 0.44259 0.45244 0.46758 0.48222 0.54432 Eigenvalues --- 0.56136 0.60300 0.85119 0.93125 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 RFO step: Lambda=-2.68731716D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.09478 -0.09478 Iteration 1 RMS(Cart)= 0.00102378 RMS(Int)= 0.00000249 Iteration 2 RMS(Cart)= 0.00000262 RMS(Int)= 0.00000074 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000074 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86422 -0.00007 -0.00009 -0.00007 -0.00016 2.86406 R2 2.62031 0.00018 -0.00046 0.00087 0.00041 2.62072 R3 2.82948 -0.00007 0.00047 -0.00080 -0.00033 2.82915 R4 2.02528 -0.00006 -0.00010 -0.00000 -0.00010 2.02518 R5 2.04737 -0.00004 0.00003 -0.00013 -0.00010 2.04727 R6 2.04605 -0.00001 -0.00001 -0.00001 -0.00002 2.04603 R7 2.04068 0.00004 0.00004 0.00001 0.00005 2.04073 R8 1.79251 -0.00015 0.00018 -0.00030 -0.00012 1.79239 R9 2.25593 -0.00011 0.00009 -0.00018 -0.00009 2.25584 R10 2.62511 -0.00009 -0.00002 -0.00014 -0.00016 2.62495 R11 2.73122 -0.00008 -0.00009 -0.00006 -0.00015 2.73107 R12 2.54573 -0.00012 -0.00008 -0.00007 -0.00015 2.54558 R13 1.88746 -0.00001 -0.00003 0.00001 -0.00001 1.88744 R14 3.18221 -0.00005 0.00021 -0.00043 -0.00021 3.18200 R15 2.58052 0.00012 0.00014 0.00015 0.00028 2.58080 R16 2.65737 0.00010 -0.00000 0.00022 0.00022 2.65759 R17 2.52599 -0.00005 0.00008 -0.00018 -0.00010 2.52589 R18 2.87140 -0.00004 0.00005 -0.00018 -0.00013 2.87127 R19 2.02429 0.00004 0.00001 0.00007 0.00008 2.02437 R20 2.02924 -0.00013 0.00003 -0.00036 -0.00033 2.02891 R21 2.04720 0.00001 -0.00004 0.00008 0.00004 2.04725 R22 2.90370 -0.00002 0.00006 -0.00014 -0.00008 2.90362 R23 2.05018 -0.00000 -0.00001 -0.00001 -0.00001 2.05016 R24 2.04753 -0.00002 -0.00001 -0.00005 -0.00006 2.04747 R25 2.04833 0.00004 0.00002 0.00010 0.00011 2.04844 A1 1.92031 -0.00006 -0.00035 -0.00019 -0.00054 1.91977 A2 1.98531 -0.00011 -0.00038 0.00029 -0.00009 1.98522 A3 1.88887 0.00000 0.00043 -0.00095 -0.00053 1.88835 A4 1.92451 0.00015 0.00062 0.00003 0.00065 1.92516 A5 1.92303 -0.00003 -0.00034 0.00026 -0.00008 1.92295 A6 1.81876 0.00005 0.00003 0.00059 0.00062 1.81939 A7 1.88812 -0.00001 0.00018 -0.00005 0.00013 1.88825 A8 1.91476 -0.00004 -0.00016 -0.00025 -0.00042 1.91434 A9 1.97007 0.00000 -0.00013 0.00015 0.00002 1.97009 A10 1.89559 0.00004 0.00013 0.00023 0.00036 1.89595 A11 1.88487 0.00003 -0.00002 0.00034 0.00032 1.88519 A12 1.90880 -0.00001 0.00002 -0.00039 -0.00038 1.90843 A13 1.91705 0.00001 -0.00069 0.00068 -0.00001 1.91704 A14 2.10340 -0.00002 0.00009 -0.00009 -0.00000 2.10340 A15 2.21849 -0.00002 0.00006 -0.00016 -0.00011 2.21839 A16 1.96091 0.00004 -0.00010 0.00021 0.00011 1.96102 A17 2.23434 0.00000 -0.00001 0.00002 0.00000 2.23434 A18 2.02820 0.00000 0.00000 0.00005 0.00005 2.02825 A19 2.02037 -0.00000 0.00002 0.00000 0.00001 2.02038 A20 2.05960 -0.00009 -0.00029 0.00017 -0.00012 2.05948 A21 2.03327 0.00004 0.00021 -0.00014 0.00007 2.03334 A22 2.19028 0.00005 0.00008 -0.00001 0.00006 2.19035 A23 2.05364 0.00006 -0.00021 0.00045 0.00024 2.05389 A24 2.12560 0.00003 0.00039 -0.00026 0.00013 2.12574 A25 2.09928 -0.00009 -0.00020 -0.00002 -0.00022 2.09907 A26 2.10863 -0.00001 -0.00003 -0.00001 -0.00004 2.10859 A27 2.11627 0.00009 0.00036 -0.00020 0.00016 2.11642 A28 2.05650 -0.00008 -0.00031 0.00012 -0.00019 2.05631 A29 2.12188 0.00002 0.00019 -0.00009 0.00010 2.12198 A30 2.04940 -0.00002 -0.00012 0.00002 -0.00010 2.04930 A31 2.11058 -0.00000 -0.00007 0.00008 0.00001 2.11058 A32 1.95582 0.00004 0.00032 -0.00023 0.00009 1.95592 A33 1.86283 -0.00001 -0.00015 0.00022 0.00007 1.86290 A34 1.94817 -0.00002 -0.00014 0.00015 0.00001 1.94818 A35 1.85617 -0.00001 -0.00001 -0.00021 -0.00022 1.85595 A36 1.93669 -0.00005 -0.00025 -0.00018 -0.00043 1.93626 A37 1.89945 0.00005 0.00023 0.00027 0.00050 1.89995 A38 1.91521 0.00001 0.00006 0.00000 0.00007 1.91527 A39 1.93928 0.00005 0.00038 -0.00005 0.00033 1.93960 A40 1.95477 -0.00006 -0.00036 -0.00005 -0.00040 1.95437 A41 1.88756 -0.00002 -0.00006 -0.00003 -0.00009 1.88747 A42 1.88479 0.00002 0.00000 0.00002 0.00003 1.88482 A43 1.88006 0.00001 -0.00003 0.00010 0.00007 1.88014 D1 1.11117 -0.00006 0.00066 -0.00180 -0.00115 1.11002 D2 -3.10692 -0.00004 0.00083 -0.00170 -0.00087 -3.10779 D3 -0.97345 -0.00008 0.00064 -0.00229 -0.00165 -0.97509 D4 -3.00302 0.00002 0.00092 -0.00170 -0.00078 -3.00380 D5 -0.93792 0.00004 0.00110 -0.00160 -0.00050 -0.93843 D6 1.19554 -0.00001 0.00091 -0.00219 -0.00128 1.19427 D7 -0.99086 0.00002 0.00102 -0.00142 -0.00040 -0.99126 D8 1.07424 0.00004 0.00119 -0.00132 -0.00013 1.07411 D9 -3.07548 -0.00001 0.00101 -0.00191 -0.00090 -3.07637 D10 -2.74646 -0.00003 -0.00455 -0.00139 -0.00594 -2.75240 D11 1.33297 0.00004 -0.00425 -0.00164 -0.00590 1.32708 D12 -0.66517 -0.00009 -0.00445 -0.00252 -0.00697 -0.67215 D13 1.86035 0.00000 0.00007 -0.00158 -0.00151 1.85884 D14 -1.38452 0.00003 -0.00008 0.00035 0.00028 -1.38425 D15 -2.25611 -0.00003 -0.00019 -0.00160 -0.00179 -2.25789 D16 0.78220 -0.00001 -0.00033 0.00034 0.00000 0.78221 D17 -0.19279 0.00003 -0.00027 -0.00095 -0.00122 -0.19401 D18 2.84552 0.00005 -0.00041 0.00098 0.00057 2.84609 D19 -3.08514 -0.00005 0.00083 -0.00288 -0.00205 -3.08719 D20 0.02998 0.00001 0.00097 0.00043 0.00140 0.03138 D21 0.08397 -0.00003 -0.00066 -0.00148 -0.00214 0.08183 D22 -3.08410 0.00003 -0.00052 0.00182 0.00131 -3.08279 D23 3.13347 -0.00001 -0.00081 0.00021 -0.00061 3.13286 D24 -0.06305 -0.00000 -0.00091 0.00043 -0.00048 -0.06353 D25 -0.03785 -0.00003 0.00080 -0.00130 -0.00050 -0.03835 D26 3.04881 -0.00002 0.00070 -0.00107 -0.00037 3.04844 D27 3.12856 0.00003 0.00045 0.00179 0.00224 3.13079 D28 -0.02130 0.00008 0.00008 0.00362 0.00370 -0.01760 D29 0.01334 -0.00003 0.00031 -0.00150 -0.00120 0.01214 D30 -3.13652 0.00002 -0.00006 0.00033 0.00027 -3.13625 D31 2.95027 -0.00003 0.00030 -0.00108 -0.00079 2.94948 D32 -0.08967 -0.00006 0.00040 -0.00297 -0.00257 -0.09224 D33 -0.20028 0.00003 -0.00010 0.00090 0.00080 -0.19949 D34 3.04296 -0.00000 0.00001 -0.00099 -0.00098 3.04198 D35 -2.90321 -0.00003 -0.00010 -0.00150 -0.00160 -2.90480 D36 0.30408 0.00001 -0.00045 0.00006 -0.00039 0.30370 D37 0.13245 0.00000 -0.00025 0.00051 0.00026 0.13271 D38 -2.94345 0.00004 -0.00060 0.00207 0.00147 -2.94197 D39 -0.06322 0.00003 -0.00042 0.00173 0.00131 -0.06191 D40 3.13521 0.00003 -0.00032 0.00150 0.00118 3.13639 D41 3.01487 0.00000 -0.00005 0.00021 0.00016 3.01502 D42 -0.06989 -0.00000 0.00005 -0.00002 0.00003 -0.06986 D43 -0.46851 -0.00001 0.00047 -0.00015 0.00032 -0.46819 D44 -2.49381 -0.00000 0.00040 0.00009 0.00049 -2.49331 D45 1.71598 -0.00005 0.00029 -0.00046 -0.00016 1.71581 D46 2.73688 0.00003 0.00012 0.00137 0.00149 2.73837 D47 0.71158 0.00003 0.00005 0.00161 0.00166 0.71324 D48 -1.36182 -0.00002 -0.00006 0.00106 0.00100 -1.36081 D49 -3.10912 0.00000 -0.00013 0.00021 0.00008 -3.10903 D50 1.08746 -0.00000 -0.00033 0.00028 -0.00005 1.08740 D51 -1.01607 -0.00001 -0.00031 0.00021 -0.00010 -1.01617 D52 -0.91404 0.00001 0.00000 -0.00012 -0.00011 -0.91415 D53 -3.00065 0.00000 -0.00019 -0.00006 -0.00025 -3.00090 D54 1.17901 0.00000 -0.00018 -0.00012 -0.00030 1.17871 D55 1.12260 -0.00000 -0.00001 -0.00032 -0.00033 1.12228 D56 -0.96401 -0.00001 -0.00021 -0.00025 -0.00046 -0.96447 D57 -3.06754 -0.00001 -0.00019 -0.00031 -0.00051 -3.06804 Item Value Threshold Converged? Maximum Force 0.000176 0.000450 YES RMS Force 0.000051 0.000300 YES Maximum Displacement 0.006423 0.001800 NO RMS Displacement 0.001024 0.001200 YES Predicted change in Energy=-1.343795D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.032313 -4.992032 2.157100 2 6 0 7.137971 -5.199466 3.654711 3 8 0 7.067060 -6.215636 1.505275 4 8 0 2.870089 -2.218985 -0.087479 5 6 0 3.695326 -2.859269 0.490476 6 7 0 4.951654 -2.324553 0.745849 7 6 0 6.006564 -2.926181 1.328760 8 16 0 7.427240 -2.038757 1.500437 9 7 0 5.822265 -4.215399 1.739968 10 6 0 4.552608 -4.813461 1.650116 11 6 0 3.545862 -4.192676 1.027457 12 1 0 7.857030 -4.383192 1.844608 13 1 0 8.103760 -5.641786 3.867540 14 1 0 7.076062 -4.244140 4.160464 15 1 0 5.100084 -1.383734 0.445162 16 6 0 4.256383 -6.140601 2.328026 17 1 0 2.579282 -4.648607 0.953821 18 1 0 6.375828 -5.859290 4.041967 19 1 0 7.343619 -6.093679 0.606234 20 1 0 5.139442 -6.740142 2.444189 21 1 0 3.599953 -6.690309 1.664264 22 6 0 3.546411 -5.941744 3.676104 23 1 0 3.379477 -6.904378 4.147780 24 1 0 2.585190 -5.459553 3.543943 25 1 0 4.130527 -5.332431 4.356230 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515595 0.000000 3 O 1.386827 2.378592 0.000000 4 O 5.481975 6.411090 6.010379 0.000000 5 C 4.296720 5.228834 4.864526 1.193739 0.000000 6 N 3.665544 4.637519 4.493573 2.244659 1.389063 7 C 2.450724 3.443538 3.460682 3.513308 2.459474 8 S 3.051067 3.835968 4.192383 4.829243 3.952270 9 N 1.497123 2.523036 2.367603 4.005069 2.814993 10 C 2.537293 3.294162 2.882628 3.547029 2.428696 11 C 3.751054 4.562821 4.088950 2.365420 1.445221 12 H 1.071679 2.111829 2.024117 5.769432 4.634199 13 H 2.120326 1.083370 2.642791 7.399261 6.211381 14 H 2.138860 1.082713 3.307099 6.311615 5.178422 15 H 4.436672 5.386464 5.323543 2.440129 2.037793 16 C 3.009022 3.308984 2.929583 4.809943 3.802435 17 H 4.625507 5.327279 4.785378 2.659312 2.159161 18 H 2.176197 1.079906 2.653223 6.526436 5.366406 19 H 1.927621 3.183570 0.948490 5.958772 4.876971 20 H 2.592541 2.798779 2.207347 5.656870 4.578607 21 H 3.861105 4.324588 3.503060 4.857370 4.007960 22 C 3.919291 3.667525 4.145177 5.336751 4.435319 23 H 4.578546 4.156455 4.588624 6.336387 5.462467 24 H 4.681753 4.561549 4.981465 4.875416 4.161435 25 H 3.656830 3.091040 4.187030 5.570351 4.609771 6 7 8 9 10 6 N 0.000000 7 C 1.347062 0.000000 8 S 2.603768 1.683840 0.000000 9 N 2.306845 1.365701 2.714975 0.000000 10 C 2.677983 2.403971 3.998111 1.406335 0.000000 11 C 2.354875 2.783855 4.464098 2.385414 1.336644 12 H 3.726456 2.411059 2.408225 2.044352 3.337988 13 H 5.539382 4.268272 4.363791 3.430213 4.267759 14 H 4.456177 3.301422 3.473152 2.726102 3.604690 15 H 0.998792 1.995393 2.637862 3.196310 3.676230 16 C 4.189141 3.793963 5.250177 2.550333 1.519412 17 H 3.327556 3.854036 5.532884 3.364912 2.099053 18 H 5.038555 4.012603 4.707581 2.882362 3.184155 19 H 4.466239 3.513232 4.153189 2.669795 3.243206 20 H 4.734664 4.067232 5.312976 2.708598 2.164954 21 H 4.661588 4.480290 6.025936 3.327098 2.104831 22 C 4.862630 4.544887 5.918418 3.450855 2.527862 23 H 5.917742 5.538457 6.860545 4.358369 3.462152 24 H 4.822624 4.799042 6.270822 3.909079 2.806199 25 H 4.770370 4.298270 5.465543 3.309768 2.787569 11 12 13 14 15 11 C 0.000000 12 H 4.392062 0.000000 13 H 5.562412 2.395243 0.000000 14 H 4.720243 2.447945 1.759370 0.000000 15 H 3.262642 4.307662 6.234240 5.088210 0.000000 16 C 2.447597 4.035696 4.173874 3.860697 5.185055 17 H 1.071248 5.358972 6.324241 5.537796 4.156028 18 H 4.457980 3.033351 1.750280 1.764393 5.881763 19 H 4.267809 2.173229 3.379074 4.015586 5.219480 20 H 3.322079 3.646916 3.466914 3.595292 5.717409 21 H 2.578103 4.845413 5.122314 4.929310 5.647684 22 C 3.174047 4.936082 4.571220 3.946505 5.798995 23 H 4.137321 5.631116 4.898114 4.554314 6.866395 24 H 2.976671 5.642570 5.531052 4.693108 5.704335 25 H 3.566736 4.593052 4.015108 3.146248 5.641694 16 17 18 19 20 16 C 0.000000 17 H 2.631949 0.000000 18 H 2.740215 5.041445 0.000000 19 H 3.535221 4.990787 3.577124 0.000000 20 H 1.073655 3.626312 2.203961 2.941834 0.000000 21 H 1.083356 2.390616 3.748273 3.935788 1.726498 22 C 1.536529 3.165181 2.854164 4.885281 2.166288 23 H 2.159589 3.991264 3.175142 5.377192 2.454928 24 H 2.176044 2.714111 3.844055 5.628045 3.061628 25 H 2.186913 3.801364 2.327599 4.996591 2.579817 21 22 23 24 25 21 H 0.000000 22 C 2.147259 0.000000 23 H 2.502456 1.084900 0.000000 24 H 2.465299 1.083476 1.755856 0.000000 25 H 3.061376 1.083986 1.754578 1.750440 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.417567 1.204252 -0.373200 2 6 0 2.387436 1.261129 0.790049 3 8 0 2.081723 0.811543 -1.525574 4 8 0 -3.152659 -1.816793 -0.177331 5 6 0 -2.104736 -1.245940 -0.145742 6 7 0 -2.053403 0.121641 0.092128 7 6 0 -0.969776 0.921770 0.103084 8 16 0 -1.201019 2.561636 0.407519 9 7 0 0.234228 0.320313 -0.128792 10 6 0 0.315793 -1.078169 -0.252773 11 6 0 -0.790326 -1.827235 -0.297689 12 1 0 0.994949 2.180285 -0.504538 13 1 0 3.126247 2.024415 0.577342 14 1 0 1.857510 1.534950 1.693636 15 1 0 -2.928438 0.573662 0.258189 16 6 0 1.656626 -1.792859 -0.253238 17 1 0 -0.730418 -2.892199 -0.396859 18 1 0 2.907440 0.328128 0.949116 19 1 0 1.596969 1.096462 -2.289425 20 1 0 2.449650 -1.162321 -0.608585 21 1 0 1.575152 -2.608504 -0.961577 22 6 0 1.991624 -2.368975 1.131243 23 1 0 2.967302 -2.842636 1.104672 24 1 0 1.263417 -3.113008 1.431328 25 1 0 2.012994 -1.600938 1.895892 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7922622 0.6957392 0.4258291 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.5051310488 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000039 0.000106 0.000164 Ang= 0.02 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -966.083046280 A.U. after 10 cycles NFock= 10 Conv=0.39D-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 -0.000081258 0.000065480 -0.000012396 2 6 0.000020135 -0.000016061 0.000014471 3 8 0.000053237 0.000025410 -0.000061153 4 8 -0.000005936 0.000007264 0.000015434 5 6 0.000009985 -0.000002294 0.000006207 6 7 0.000029631 -0.000038630 -0.000070883 7 6 -0.000003782 0.000026480 -0.000037571 8 16 -0.000016415 -0.000008705 0.000034524 9 7 0.000088859 -0.000064220 0.000014084 10 6 -0.000028273 0.000014684 0.000066891 11 6 0.000010764 0.000013178 0.000005869 12 1 -0.000000739 -0.000004494 -0.000032817 13 1 -0.000015543 -0.000004445 -0.000008105 14 1 0.000004836 0.000006126 0.000007113 15 1 -0.000007878 0.000000111 0.000022798 16 6 -0.000018556 -0.000002332 -0.000020885 17 1 -0.000010750 -0.000004761 -0.000004174 18 1 -0.000020232 0.000003698 0.000003945 19 1 -0.000012098 -0.000007254 0.000048942 20 1 0.000013432 -0.000012624 0.000014816 21 1 -0.000000906 0.000002624 -0.000003267 22 6 -0.000004213 0.000001969 -0.000008239 23 1 0.000000233 0.000000557 -0.000000561 24 1 -0.000002296 -0.000000153 0.000008542 25 1 -0.000002237 -0.000001609 -0.000003586 ------------------------------------------------------------------- Cartesian Forces: Max 0.000088859 RMS 0.000027217 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000088414 RMS 0.000016182 Search for a local minimum. Step number 30 out of a maximum of 135 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 25 27 26 28 29 30 DE= -1.49D-06 DEPred=-1.34D-06 R= 1.11D+00 TightC=F SS= 1.41D+00 RLast= 1.40D-02 DXNew= 4.6856D-01 4.1968D-02 Trust test= 1.11D+00 RLast= 1.40D-02 DXMaxT set to 2.79D-01 ITU= 1 1 0 -1 0 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 1 ITU= 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00232 0.00257 0.00473 0.00572 0.00938 Eigenvalues --- 0.01436 0.01685 0.01868 0.01955 0.02210 Eigenvalues --- 0.02461 0.03949 0.04247 0.05215 0.05346 Eigenvalues --- 0.05467 0.05536 0.05620 0.05698 0.06022 Eigenvalues --- 0.06116 0.06905 0.08838 0.09284 0.12797 Eigenvalues --- 0.15263 0.15680 0.15965 0.16004 0.16041 Eigenvalues --- 0.16111 0.16204 0.16403 0.17067 0.20135 Eigenvalues --- 0.22044 0.22913 0.23769 0.24859 0.24905 Eigenvalues --- 0.25176 0.26464 0.27341 0.28328 0.29037 Eigenvalues --- 0.30626 0.31298 0.33531 0.34772 0.34811 Eigenvalues --- 0.34837 0.34871 0.34947 0.35063 0.35226 Eigenvalues --- 0.35898 0.36520 0.39239 0.42498 0.42803 Eigenvalues --- 0.44405 0.45116 0.46741 0.48226 0.54268 Eigenvalues --- 0.56130 0.60269 0.84999 0.92710 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 RFO step: Lambda=-5.85450591D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.55247 -0.58919 0.03673 Iteration 1 RMS(Cart)= 0.00097159 RMS(Int)= 0.00000094 Iteration 2 RMS(Cart)= 0.00000095 RMS(Int)= 0.00000040 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86406 0.00002 -0.00005 0.00005 -0.00000 2.86406 R2 2.62072 -0.00001 0.00040 -0.00037 0.00004 2.62076 R3 2.82915 -0.00009 -0.00036 -0.00021 -0.00057 2.82858 R4 2.02518 0.00001 -0.00002 0.00004 0.00003 2.02521 R5 2.04727 -0.00001 -0.00007 0.00002 -0.00005 2.04723 R6 2.04603 0.00001 -0.00001 0.00003 0.00002 2.04605 R7 2.04073 0.00001 0.00001 0.00002 0.00003 2.04076 R8 1.79239 -0.00005 -0.00014 0.00001 -0.00012 1.79226 R9 2.25584 0.00000 -0.00009 0.00008 -0.00001 2.25583 R10 2.62495 -0.00001 -0.00008 0.00003 -0.00005 2.62490 R11 2.73107 -0.00000 -0.00005 0.00002 -0.00002 2.73105 R12 2.54558 -0.00002 -0.00005 -0.00002 -0.00007 2.54551 R13 1.88744 -0.00001 0.00000 -0.00003 -0.00002 1.88742 R14 3.18200 -0.00001 -0.00020 0.00006 -0.00014 3.18185 R15 2.58080 0.00000 0.00010 -0.00001 0.00009 2.58089 R16 2.65759 0.00003 0.00012 -0.00002 0.00010 2.65769 R17 2.52589 0.00000 -0.00009 0.00007 -0.00002 2.52587 R18 2.87127 0.00001 -0.00009 0.00011 0.00002 2.87129 R19 2.02437 0.00001 0.00004 0.00001 0.00005 2.02441 R20 2.02891 0.00002 -0.00019 0.00024 0.00005 2.02896 R21 2.04725 0.00000 0.00004 -0.00003 0.00001 2.04725 R22 2.90362 0.00000 -0.00007 0.00007 0.00000 2.90362 R23 2.05016 -0.00000 -0.00000 -0.00000 -0.00001 2.05016 R24 2.04747 0.00000 -0.00003 0.00002 -0.00001 2.04747 R25 2.04844 -0.00000 0.00006 -0.00007 -0.00001 2.04842 A1 1.91977 0.00000 -0.00016 -0.00003 -0.00019 1.91957 A2 1.98522 -0.00001 0.00010 0.00008 0.00018 1.98540 A3 1.88835 0.00003 -0.00046 0.00062 0.00016 1.88851 A4 1.92516 0.00002 0.00012 -0.00008 0.00003 1.92519 A5 1.92295 -0.00003 0.00009 -0.00048 -0.00039 1.92256 A6 1.81939 -0.00001 0.00033 -0.00012 0.00021 1.81960 A7 1.88825 -0.00001 0.00000 -0.00002 -0.00002 1.88823 A8 1.91434 0.00001 -0.00017 0.00006 -0.00011 1.91423 A9 1.97009 -0.00001 0.00006 -0.00003 0.00003 1.97013 A10 1.89595 0.00000 0.00015 -0.00007 0.00008 1.89603 A11 1.88519 0.00001 0.00019 -0.00009 0.00010 1.88529 A12 1.90843 -0.00000 -0.00021 0.00014 -0.00008 1.90835 A13 1.91704 0.00000 0.00026 -0.00041 -0.00014 1.91690 A14 2.10340 -0.00000 -0.00003 0.00003 -0.00000 2.10340 A15 2.21839 -0.00000 -0.00008 0.00005 -0.00003 2.21836 A16 1.96102 0.00000 0.00010 -0.00007 0.00003 1.96105 A17 2.23434 0.00000 0.00001 0.00004 0.00005 2.23439 A18 2.02825 -0.00000 0.00003 -0.00003 -0.00000 2.02825 A19 2.02038 -0.00000 0.00000 0.00000 0.00000 2.02038 A20 2.05948 0.00002 0.00005 0.00008 0.00013 2.05961 A21 2.03334 0.00001 -0.00004 0.00004 -0.00001 2.03333 A22 2.19035 -0.00003 0.00001 -0.00013 -0.00013 2.19022 A23 2.05389 -0.00005 0.00022 -0.00026 -0.00005 2.05384 A24 2.12574 0.00005 -0.00008 0.00024 0.00016 2.12590 A25 2.09907 -0.00001 -0.00004 -0.00000 -0.00005 2.09902 A26 2.10859 -0.00002 -0.00001 -0.00005 -0.00006 2.10854 A27 2.11642 0.00004 -0.00005 0.00019 0.00014 2.11656 A28 2.05631 -0.00003 0.00002 -0.00005 -0.00004 2.05627 A29 2.12198 0.00001 -0.00002 0.00007 0.00005 2.12203 A30 2.04930 -0.00001 -0.00001 -0.00002 -0.00002 2.04928 A31 2.11058 -0.00000 0.00003 -0.00005 -0.00002 2.11057 A32 1.95592 0.00001 -0.00007 0.00008 0.00001 1.95592 A33 1.86290 -0.00000 0.00010 -0.00016 -0.00006 1.86284 A34 1.94818 -0.00000 0.00006 -0.00002 0.00004 1.94822 A35 1.85595 0.00000 -0.00012 0.00015 0.00003 1.85598 A36 1.93626 -0.00001 -0.00014 0.00012 -0.00002 1.93624 A37 1.89995 -0.00000 0.00019 -0.00019 0.00000 1.89995 A38 1.91527 -0.00000 0.00001 -0.00003 -0.00001 1.91526 A39 1.93960 0.00001 0.00003 0.00008 0.00011 1.93971 A40 1.95437 -0.00000 -0.00008 0.00005 -0.00004 1.95434 A41 1.88747 -0.00000 -0.00002 -0.00000 -0.00003 1.88745 A42 1.88482 0.00000 0.00001 -0.00003 -0.00001 1.88480 A43 1.88014 -0.00000 0.00005 -0.00007 -0.00002 1.88011 D1 1.11002 -0.00002 -0.00089 -0.00160 -0.00248 1.10754 D2 -3.10779 -0.00001 -0.00080 -0.00166 -0.00246 -3.11025 D3 -0.97509 -0.00002 -0.00116 -0.00146 -0.00262 -0.97771 D4 -3.00380 -0.00000 -0.00079 -0.00167 -0.00246 -3.00626 D5 -0.93843 -0.00000 -0.00070 -0.00173 -0.00243 -0.94086 D6 1.19427 -0.00000 -0.00106 -0.00153 -0.00259 1.19168 D7 -0.99126 -0.00000 -0.00062 -0.00137 -0.00199 -0.99325 D8 1.07411 0.00000 -0.00053 -0.00143 -0.00196 1.07215 D9 -3.07637 -0.00000 -0.00089 -0.00123 -0.00212 -3.07850 D10 -2.75240 -0.00000 -0.00152 0.00019 -0.00133 -2.75373 D11 1.32708 -0.00000 -0.00161 0.00017 -0.00144 1.32564 D12 -0.67215 0.00001 -0.00213 0.00063 -0.00149 -0.67364 D13 1.85884 0.00001 -0.00086 0.00091 0.00004 1.85888 D14 -1.38425 0.00002 0.00018 0.00052 0.00070 -1.38354 D15 -2.25789 0.00002 -0.00091 0.00086 -0.00005 -2.25795 D16 0.78221 0.00002 0.00013 0.00047 0.00060 0.78281 D17 -0.19401 -0.00001 -0.00057 0.00019 -0.00038 -0.19439 D18 2.84609 -0.00000 0.00047 -0.00020 0.00028 2.84637 D19 -3.08719 -0.00002 -0.00145 -0.00013 -0.00159 -3.08877 D20 0.03138 0.00001 0.00040 0.00076 0.00116 0.03254 D21 0.08183 -0.00001 -0.00093 -0.00067 -0.00160 0.08023 D22 -3.08279 0.00002 0.00092 0.00022 0.00114 -3.08165 D23 3.13286 0.00001 -0.00002 0.00043 0.00041 3.13328 D24 -0.06353 0.00001 0.00009 0.00052 0.00061 -0.06292 D25 -0.03835 0.00000 -0.00058 0.00101 0.00043 -0.03792 D26 3.04844 0.00000 -0.00048 0.00110 0.00063 3.04907 D27 3.13079 0.00003 0.00106 0.00141 0.00248 3.13327 D28 -0.01760 0.00001 0.00201 0.00008 0.00209 -0.01551 D29 0.01214 0.00000 -0.00078 0.00052 -0.00026 0.01188 D30 -3.13625 -0.00001 0.00017 -0.00081 -0.00064 -3.13689 D31 2.94948 -0.00001 -0.00055 -0.00014 -0.00069 2.94879 D32 -0.09224 -0.00001 -0.00158 0.00023 -0.00135 -0.09359 D33 -0.19949 -0.00002 0.00048 -0.00159 -0.00111 -0.20059 D34 3.04198 -0.00003 -0.00055 -0.00122 -0.00177 3.04021 D35 -2.90480 0.00000 -0.00084 0.00055 -0.00029 -2.90510 D36 0.30370 -0.00000 -0.00004 -0.00106 -0.00110 0.30259 D37 0.13271 0.00000 0.00024 0.00014 0.00038 0.13309 D38 -2.94197 -0.00000 0.00105 -0.00147 -0.00043 -2.94240 D39 -0.06191 0.00000 0.00089 -0.00081 0.00008 -0.06183 D40 3.13639 0.00000 0.00078 -0.00090 -0.00012 3.13627 D41 3.01502 0.00001 0.00011 0.00076 0.00087 3.01589 D42 -0.06986 0.00001 -0.00000 0.00067 0.00066 -0.06920 D43 -0.46819 0.00001 -0.00000 0.00142 0.00142 -0.46677 D44 -2.49331 0.00000 0.00012 0.00129 0.00141 -2.49191 D45 1.71581 0.00001 -0.00020 0.00163 0.00142 1.71724 D46 2.73837 0.00001 0.00078 -0.00015 0.00063 2.73900 D47 0.71324 -0.00000 0.00090 -0.00028 0.00062 0.71387 D48 -1.36081 0.00000 0.00058 0.00006 0.00064 -1.36017 D49 -3.10903 -0.00000 0.00010 -0.00007 0.00003 -3.10901 D50 1.08740 -0.00000 0.00010 -0.00010 -0.00000 1.08740 D51 -1.01617 -0.00000 0.00007 -0.00009 -0.00002 -1.01619 D52 -0.91415 0.00000 -0.00007 0.00012 0.00005 -0.91410 D53 -3.00090 0.00000 -0.00006 0.00009 0.00002 -3.00088 D54 1.17871 0.00000 -0.00009 0.00009 -0.00000 1.17871 D55 1.12228 0.00000 -0.00018 0.00026 0.00008 1.12236 D56 -0.96447 0.00000 -0.00017 0.00023 0.00005 -0.96442 D57 -3.06804 0.00000 -0.00021 0.00023 0.00003 -3.06802 Item Value Threshold Converged? Maximum Force 0.000088 0.000450 YES RMS Force 0.000016 0.000300 YES Maximum Displacement 0.004979 0.001800 NO RMS Displacement 0.000972 0.001200 YES Predicted change in Energy=-2.908055D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.032439 -4.991701 2.157002 2 6 0 7.138250 -5.199113 3.654602 3 8 0 7.067369 -6.215443 1.505405 4 8 0 2.869973 -2.219010 -0.087011 5 6 0 3.695444 -2.859362 0.490528 6 7 0 4.952152 -2.325018 0.744649 7 6 0 6.006792 -2.926199 1.328424 8 16 0 7.426944 -2.038354 1.501515 9 7 0 5.822558 -4.215425 1.739797 10 6 0 4.552703 -4.813297 1.650649 11 6 0 3.545889 -4.192493 1.028138 12 1 0 7.857257 -4.383134 1.844195 13 1 0 8.103098 -5.643589 3.867083 14 1 0 7.078697 -4.243498 4.160116 15 1 0 5.100347 -1.384041 0.444380 16 6 0 4.256584 -6.140643 2.328228 17 1 0 2.579186 -4.648289 0.954919 18 1 0 6.374687 -5.857032 4.042350 19 1 0 7.342705 -6.093342 0.606076 20 1 0 5.139816 -6.739888 2.444830 21 1 0 3.600734 -6.690461 1.663976 22 6 0 3.545751 -5.942283 3.675927 23 1 0 3.378957 -6.905060 4.147351 24 1 0 2.584401 -5.460458 3.543403 25 1 0 4.129266 -5.332867 4.356466 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515593 0.000000 3 O 1.386846 2.378445 0.000000 4 O 5.481745 6.410840 6.010440 0.000000 5 C 4.296457 5.228644 4.864476 1.193735 0.000000 6 N 3.665179 4.637594 4.493139 2.244630 1.389035 7 C 2.450468 3.443463 3.460530 3.513290 2.459445 8 S 3.050829 3.835300 4.192539 4.829289 3.952246 9 N 1.496822 2.522928 2.367396 4.005079 2.814994 10 C 2.537186 3.293893 2.882820 3.547022 2.428711 11 C 3.750879 4.562527 4.089123 2.365387 1.445209 12 H 1.071694 2.111958 2.023873 5.769401 4.634111 13 H 2.120294 1.083346 2.641453 7.399202 6.211317 14 H 2.138788 1.082724 3.306991 6.312685 5.179586 15 H 4.436357 5.386404 5.323288 2.440105 2.037757 16 C 3.009113 3.309040 2.929700 4.809914 3.802476 17 H 4.625408 5.326984 4.785686 2.659243 2.159155 18 H 2.176229 1.079923 2.654121 6.524557 5.364682 19 H 1.927497 3.183545 0.948425 5.957864 4.875909 20 H 2.592494 2.798441 2.207492 5.656920 4.578645 21 H 3.860759 4.324434 3.502619 4.857349 4.007901 22 C 3.920170 3.668624 4.145790 5.336585 4.435491 23 H 4.579341 4.157564 4.589099 6.336241 5.462618 24 H 4.682616 4.562698 4.982012 4.875289 4.161750 25 H 3.658203 3.092650 4.188071 5.570136 4.609979 6 7 8 9 10 6 N 0.000000 7 C 1.347026 0.000000 8 S 2.603770 1.683764 0.000000 9 N 2.306852 1.365750 2.714861 0.000000 10 C 2.678046 2.404027 3.997976 1.406389 0.000000 11 C 2.354869 2.783831 4.463966 2.385415 1.336634 12 H 3.726188 2.410996 2.408442 2.044267 3.338050 13 H 5.539943 4.268898 4.364724 3.430140 4.266997 14 H 4.457373 3.301929 3.471613 2.727016 3.605931 15 H 0.998779 1.995352 2.637938 3.196315 3.676247 16 C 4.189336 3.794139 5.250087 2.550488 1.519423 17 H 3.327578 3.854035 5.532747 3.364947 2.099056 18 H 5.037218 4.011299 4.705889 2.881227 3.182647 19 H 4.464774 3.512441 4.153533 2.668846 3.242492 20 H 4.734650 4.067215 5.312742 2.708528 2.164989 21 H 4.661394 4.480110 6.025644 3.326868 2.104796 22 C 4.863637 4.545796 5.918817 3.451737 2.527907 23 H 5.918624 5.539242 6.860866 4.359087 3.462177 24 H 4.823926 4.800142 6.271390 3.910085 2.806341 25 H 4.771742 4.299558 5.466191 3.311023 2.787597 11 12 13 14 15 11 C 0.000000 12 H 4.392060 0.000000 13 H 5.561784 2.396092 0.000000 14 H 4.721506 2.447273 1.759409 0.000000 15 H 3.262593 4.307505 6.234994 5.088915 0.000000 16 C 2.447572 4.035837 4.172626 3.862551 5.185179 17 H 1.071273 5.359026 6.323363 5.539201 4.155986 18 H 4.456261 3.033525 1.750337 1.764367 5.880219 19 H 4.266986 2.173135 3.378556 4.015323 5.218412 20 H 3.322174 3.646854 3.464926 3.596308 5.717382 21 H 2.578205 4.845021 5.120635 4.930980 5.647508 22 C 3.173728 4.937132 4.571124 3.949939 5.799762 23 H 4.137073 5.632034 4.897690 4.557648 6.867083 24 H 2.976366 5.643665 5.531214 4.696810 5.705357 25 H 3.566308 4.594716 4.015891 3.150305 5.642752 16 17 18 19 20 16 C 0.000000 17 H 2.631873 0.000000 18 H 2.739528 5.039754 0.000000 19 H 3.534429 4.990088 3.577831 0.000000 20 H 1.073680 3.626492 2.203727 2.941387 0.000000 21 H 1.083360 2.390980 3.747810 3.934215 1.726542 22 C 1.536529 3.164261 2.853842 4.885044 2.166290 23 H 2.159576 3.990522 3.175498 5.376877 2.454889 24 H 2.176120 2.712912 3.843500 5.627601 3.061691 25 H 2.186884 3.800252 2.327087 4.996992 2.579781 21 22 23 24 25 21 H 0.000000 22 C 2.147262 0.000000 23 H 2.502476 1.084896 0.000000 24 H 2.465377 1.083473 1.755833 0.000000 25 H 3.061357 1.083980 1.754561 1.750417 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.416901 1.204816 -0.373335 2 6 0 2.386725 1.262223 0.789922 3 8 0 2.081500 0.812342 -1.525557 4 8 0 -3.151925 -1.817903 -0.177053 5 6 0 -2.104267 -1.246549 -0.145901 6 7 0 -2.053588 0.121275 0.090541 7 6 0 -0.970189 0.921639 0.102485 8 16 0 -1.201688 2.561136 0.408293 9 7 0 0.234112 0.320582 -0.129172 10 6 0 0.316250 -1.077996 -0.252307 11 6 0 -0.789604 -1.827446 -0.297060 12 1 0 0.994086 2.180710 -0.505185 13 1 0 3.126621 2.024091 0.576029 14 1 0 1.856985 1.538268 1.692954 15 1 0 -2.928741 0.572890 0.257010 16 6 0 1.657320 -1.792265 -0.253064 17 1 0 -0.729305 -2.892463 -0.395698 18 1 0 2.905312 0.328705 0.950687 19 1 0 1.596086 1.095950 -2.289396 20 1 0 2.450207 -1.161249 -0.607943 21 1 0 1.576116 -2.607490 -0.961924 22 6 0 1.992398 -2.369158 1.131075 23 1 0 2.968243 -2.842453 1.104271 24 1 0 1.264472 -3.113634 1.430728 25 1 0 2.013470 -1.601578 1.896182 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7921859 0.6957896 0.4258234 Standard basis: 6-31G(d) (6D, 7F) There are 223 symmetry adapted cartesian basis functions of A symmetry. There are 223 symmetry adapted basis functions of A symmetry. 223 basis functions, 436 primitive gaussians, 223 cartesian basis functions 53 alpha electrons 53 beta electrons nuclear repulsion energy 944.5113193465 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 223 RedAO= T EigKep= 1.05D-03 NBF= 223 NBsUse= 223 1.00D-06 EigRej= -1.00D+00 NBFU= 223 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000018 0.000004 -0.000158 Ang= -0.02 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -966.083046606 A.U. after 9 cycles NFock= 9 Conv=0.59D-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 0.000038034 -0.000041043 0.000011330 2 6 0.000002356 0.000023747 0.000013679 3 8 -0.000009658 -0.000017849 -0.000021815 4 8 -0.000009016 0.000011154 -0.000000420 5 6 -0.000005770 -0.000013181 0.000006083 6 7 0.000015828 -0.000004278 -0.000029462 7 6 -0.000014312 -0.000000503 0.000019813 8 16 0.000011118 0.000008726 -0.000000534 9 7 -0.000037070 0.000018389 0.000000815 10 6 0.000035802 -0.000008361 -0.000016380 11 6 -0.000016969 0.000009105 0.000009053 12 1 -0.000014923 0.000022322 0.000008106 13 1 -0.000002611 -0.000003581 0.000000110 14 1 -0.000000513 -0.000001136 0.000008955 15 1 -0.000002418 0.000007510 0.000001869 16 6 -0.000013062 0.000001648 0.000004813 17 1 0.000006068 0.000005254 -0.000000024 18 1 -0.000000379 0.000005777 -0.000001175 19 1 0.000017434 -0.000016184 -0.000023049 20 1 -0.000005697 -0.000001011 0.000009752 21 1 0.000004806 -0.000001727 -0.000000841 22 6 0.000002214 -0.000007249 -0.000003443 23 1 -0.000000950 -0.000002210 0.000000192 24 1 -0.000001701 0.000001754 0.000000415 25 1 0.000001390 0.000002926 0.000002160 ------------------------------------------------------------------- Cartesian Forces: Max 0.000041043 RMS 0.000013502 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000051306 RMS 0.000009471 Search for a local minimum. Step number 31 out of a maximum of 135 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 25 27 26 28 29 30 31 DE= -3.26D-07 DEPred=-2.91D-07 R= 1.12D+00 Trust test= 1.12D+00 RLast= 9.73D-03 DXMaxT set to 2.79D-01 ITU= 0 1 1 0 -1 0 1 0 0 0 0 0 0 0 -1 -1 1 -1 1 1 ITU= 1 1 0 1 1 1 -1 1 1 0 0 Eigenvalues --- 0.00231 0.00248 0.00438 0.00555 0.00902 Eigenvalues --- 0.01293 0.01666 0.01850 0.01952 0.02209 Eigenvalues --- 0.02478 0.04048 0.04249 0.05321 0.05346 Eigenvalues --- 0.05471 0.05543 0.05607 0.05756 0.06039 Eigenvalues --- 0.06302 0.06912 0.08801 0.09279 0.12780 Eigenvalues --- 0.15270 0.15673 0.15965 0.16004 0.16046 Eigenvalues --- 0.16124 0.16198 0.16422 0.17248 0.20358 Eigenvalues --- 0.22070 0.22937 0.23775 0.24841 0.24908 Eigenvalues --- 0.25296 0.26368 0.27339 0.28328 0.29109 Eigenvalues --- 0.30790 0.31311 0.33785 0.34770 0.34804 Eigenvalues --- 0.34840 0.34871 0.34948 0.35057 0.35196 Eigenvalues --- 0.35925 0.36582 0.39362 0.42499 0.42807 Eigenvalues --- 0.44696 0.45167 0.47313 0.48227 0.54621 Eigenvalues --- 0.56193 0.60757 0.84643 0.93039 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 RFO step: Lambda=-1.10977702D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.16789 -0.10258 -0.08964 0.02433 Iteration 1 RMS(Cart)= 0.00046194 RMS(Int)= 0.00000022 Iteration 2 RMS(Cart)= 0.00000012 RMS(Int)= 0.00000020 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86406 0.00002 0.00001 0.00005 0.00006 2.86412 R2 2.62076 0.00005 0.00015 -0.00004 0.00011 2.62087 R3 2.82858 0.00004 -0.00024 0.00025 0.00001 2.82860 R4 2.02521 -0.00000 0.00002 -0.00002 -0.00000 2.02521 R5 2.04723 -0.00000 -0.00002 0.00001 -0.00001 2.04722 R6 2.04605 0.00000 0.00000 0.00000 0.00001 2.04606 R7 2.04076 -0.00000 -0.00000 -0.00000 -0.00000 2.04075 R8 1.79226 0.00002 -0.00008 0.00011 0.00004 1.79230 R9 2.25583 0.00001 -0.00003 0.00004 0.00001 2.25585 R10 2.62490 0.00001 -0.00001 0.00002 0.00000 2.62490 R11 2.73105 -0.00000 0.00001 -0.00002 -0.00002 2.73103 R12 2.54551 0.00001 -0.00000 -0.00001 -0.00001 2.54550 R13 1.88742 0.00001 0.00000 0.00001 0.00001 1.88743 R14 3.18185 0.00001 -0.00009 0.00014 0.00005 3.18190 R15 2.58089 0.00001 -0.00000 0.00004 0.00004 2.58093 R16 2.65769 -0.00001 0.00003 -0.00005 -0.00001 2.65768 R17 2.52587 0.00002 -0.00003 0.00006 0.00003 2.52590 R18 2.87129 0.00001 -0.00002 0.00008 0.00006 2.87135 R19 2.02441 -0.00001 0.00001 -0.00002 -0.00001 2.02440 R20 2.02896 -0.00000 -0.00002 0.00001 -0.00001 2.02895 R21 2.04725 -0.00000 0.00001 -0.00002 -0.00000 2.04725 R22 2.90362 -0.00000 -0.00002 0.00002 -0.00000 2.90362 R23 2.05016 0.00000 -0.00000 0.00001 0.00001 2.05016 R24 2.04747 0.00000 -0.00000 0.00000 0.00000 2.04747 R25 2.04842 0.00000 0.00000 0.00001 0.00001 2.04844 A1 1.91957 0.00002 0.00002 0.00013 0.00015 1.91972 A2 1.98540 -0.00002 0.00012 -0.00022 -0.00010 1.98530 A3 1.88851 -0.00000 -0.00012 0.00005 -0.00007 1.88844 A4 1.92519 0.00001 -0.00011 0.00014 0.00003 1.92522 A5 1.92256 0.00000 0.00002 0.00007 0.00009 1.92265 A6 1.81960 -0.00000 0.00007 -0.00018 -0.00012 1.81948 A7 1.88823 0.00000 -0.00004 0.00006 0.00002 1.88825 A8 1.91423 0.00001 -0.00000 0.00005 0.00005 1.91428 A9 1.97013 -0.00000 0.00004 -0.00006 -0.00002 1.97011 A10 1.89603 -0.00000 0.00000 0.00002 0.00002 1.89605 A11 1.88529 0.00000 0.00004 -0.00005 -0.00001 1.88529 A12 1.90835 -0.00001 -0.00004 -0.00002 -0.00006 1.90829 A13 1.91690 0.00003 0.00015 -0.00003 0.00012 1.91702 A14 2.10340 -0.00000 -0.00002 0.00001 -0.00002 2.10339 A15 2.21836 0.00000 -0.00003 0.00003 0.00001 2.21837 A16 1.96105 -0.00000 0.00004 -0.00003 0.00001 1.96106 A17 2.23439 -0.00000 0.00001 -0.00001 -0.00000 2.23439 A18 2.02825 -0.00000 0.00000 -0.00000 -0.00000 2.02825 A19 2.02038 0.00000 -0.00000 0.00002 0.00002 2.02040 A20 2.05961 -0.00001 0.00009 -0.00011 -0.00002 2.05959 A21 2.03333 0.00000 -0.00005 0.00007 0.00002 2.03335 A22 2.19022 0.00000 -0.00004 0.00004 -0.00000 2.19022 A23 2.05384 -0.00001 0.00006 -0.00006 0.00000 2.05384 A24 2.12590 0.00001 -0.00007 0.00008 0.00002 2.12591 A25 2.09902 -0.00000 0.00003 -0.00003 -0.00000 2.09902 A26 2.10854 -0.00000 -0.00000 -0.00001 -0.00001 2.10852 A27 2.11656 0.00002 -0.00006 0.00012 0.00006 2.11662 A28 2.05627 -0.00001 0.00006 -0.00011 -0.00005 2.05622 A29 2.12203 0.00001 -0.00003 0.00007 0.00004 2.12206 A30 2.04928 -0.00000 0.00002 -0.00006 -0.00004 2.04924 A31 2.11057 -0.00000 0.00002 -0.00001 0.00001 2.11057 A32 1.95592 0.00001 -0.00008 0.00012 0.00005 1.95597 A33 1.86284 -0.00000 0.00003 -0.00003 -0.00000 1.86284 A34 1.94822 0.00001 0.00004 0.00001 0.00005 1.94827 A35 1.85598 0.00000 -0.00001 -0.00003 -0.00003 1.85595 A36 1.93624 -0.00001 0.00003 -0.00013 -0.00010 1.93613 A37 1.89995 0.00000 -0.00003 0.00006 0.00004 1.89999 A38 1.91526 -0.00000 -0.00001 0.00001 -0.00000 1.91526 A39 1.93971 0.00000 -0.00006 0.00009 0.00003 1.93975 A40 1.95434 0.00000 0.00006 -0.00008 -0.00002 1.95432 A41 1.88745 -0.00000 0.00001 -0.00001 -0.00001 1.88744 A42 1.88480 0.00000 -0.00000 0.00001 0.00001 1.88481 A43 1.88011 -0.00000 0.00001 -0.00002 -0.00001 1.88011 D1 1.10754 -0.00000 -0.00066 0.00011 -0.00055 1.10699 D2 -3.11025 0.00000 -0.00068 0.00020 -0.00049 -3.11074 D3 -0.97771 -0.00000 -0.00071 0.00017 -0.00055 -0.97826 D4 -3.00626 0.00001 -0.00070 0.00023 -0.00047 -3.00673 D5 -0.94086 0.00001 -0.00072 0.00032 -0.00040 -0.94127 D6 1.19168 0.00001 -0.00075 0.00029 -0.00046 1.19121 D7 -0.99325 -0.00001 -0.00062 -0.00009 -0.00071 -0.99396 D8 1.07215 -0.00001 -0.00064 -0.00000 -0.00065 1.07150 D9 -3.07850 -0.00001 -0.00067 -0.00003 -0.00071 -3.07920 D10 -2.75373 0.00000 0.00056 0.00036 0.00092 -2.75281 D11 1.32564 0.00001 0.00046 0.00045 0.00091 1.32655 D12 -0.67364 0.00001 0.00044 0.00055 0.00099 -0.67266 D13 1.85888 -0.00001 -0.00011 -0.00011 -0.00022 1.85867 D14 -1.38354 -0.00001 0.00016 -0.00020 -0.00005 -1.38359 D15 -2.25795 0.00001 -0.00008 0.00001 -0.00007 -2.25802 D16 0.78281 0.00001 0.00019 -0.00009 0.00010 0.78291 D17 -0.19439 0.00001 -0.00007 0.00006 -0.00001 -0.19440 D18 2.84637 0.00001 0.00019 -0.00004 0.00015 2.84652 D19 -3.08877 -0.00001 -0.00061 -0.00009 -0.00071 -3.08948 D20 0.03254 0.00000 0.00004 0.00028 0.00031 0.03285 D21 0.08023 -0.00001 -0.00024 -0.00053 -0.00077 0.07947 D22 -3.08165 0.00000 0.00041 -0.00016 0.00025 -3.08139 D23 3.13328 0.00000 0.00024 -0.00016 0.00007 3.13335 D24 -0.06292 0.00000 0.00030 -0.00010 0.00020 -0.06272 D25 -0.03792 -0.00000 -0.00017 0.00030 0.00014 -0.03779 D26 3.04907 -0.00000 -0.00010 0.00037 0.00027 3.04933 D27 3.13327 0.00000 0.00045 0.00029 0.00074 3.13401 D28 -0.01551 0.00001 0.00057 0.00029 0.00086 -0.01465 D29 0.01188 -0.00000 -0.00020 -0.00007 -0.00027 0.01161 D30 -3.13689 -0.00000 -0.00007 -0.00008 -0.00015 -3.13705 D31 2.94879 -0.00000 -0.00024 0.00010 -0.00014 2.94865 D32 -0.09359 -0.00000 -0.00050 0.00019 -0.00031 -0.09390 D33 -0.20059 0.00000 -0.00011 0.00009 -0.00001 -0.20061 D34 3.04021 0.00000 -0.00036 0.00018 -0.00018 3.04003 D35 -2.90510 -0.00000 -0.00013 -0.00028 -0.00041 -2.90551 D36 0.30259 0.00001 -0.00010 -0.00015 -0.00025 0.30234 D37 0.13309 -0.00000 0.00014 -0.00038 -0.00023 0.13286 D38 -2.94240 0.00001 0.00018 -0.00025 -0.00007 -2.94248 D39 -0.06183 0.00000 0.00021 0.00010 0.00031 -0.06152 D40 3.13627 0.00000 0.00014 0.00004 0.00018 3.13644 D41 3.01589 -0.00000 0.00017 -0.00001 0.00016 3.01605 D42 -0.06920 -0.00000 0.00010 -0.00007 0.00003 -0.06917 D43 -0.46677 0.00000 0.00014 0.00054 0.00067 -0.46610 D44 -2.49191 -0.00000 0.00017 0.00053 0.00069 -2.49122 D45 1.71724 -0.00000 0.00015 0.00046 0.00062 1.71785 D46 2.73900 0.00001 0.00017 0.00066 0.00083 2.73983 D47 0.71387 0.00001 0.00020 0.00065 0.00085 0.71471 D48 -1.36017 0.00001 0.00019 0.00058 0.00077 -1.35940 D49 -3.10901 -0.00000 0.00004 -0.00019 -0.00015 -3.10915 D50 1.08740 -0.00000 0.00008 -0.00024 -0.00016 1.08725 D51 -1.01619 -0.00000 0.00007 -0.00022 -0.00015 -1.01635 D52 -0.91410 0.00000 -0.00000 -0.00012 -0.00012 -0.91422 D53 -3.00088 0.00000 0.00004 -0.00017 -0.00013 -3.00101 D54 1.17871 0.00000 0.00003 -0.00016 -0.00013 1.17858 D55 1.12236 -0.00000 -0.00001 -0.00020 -0.00020 1.12215 D56 -0.96442 -0.00000 0.00003 -0.00024 -0.00021 -0.96463 D57 -3.06802 -0.00000 0.00002 -0.00023 -0.00021 -3.06823 Item Value Threshold Converged? Maximum Force 0.000051 0.000450 YES RMS Force 0.000009 0.000300 YES Maximum Displacement 0.001585 0.001800 YES RMS Displacement 0.000462 0.001200 YES Predicted change in Energy=-5.540735D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5156 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3868 -DE/DX = 0.0001 ! ! R3 R(1,9) 1.4968 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0717 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0833 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0827 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0799 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9484 -DE/DX = 0.0 ! ! R9 R(4,5) 1.1937 -DE/DX = 0.0 ! ! R10 R(5,6) 1.389 -DE/DX = 0.0 ! ! R11 R(5,11) 1.4452 -DE/DX = 0.0 ! ! R12 R(6,7) 1.347 -DE/DX = 0.0 ! ! R13 R(6,15) 0.9988 -DE/DX = 0.0 ! ! R14 R(7,8) 1.6838 -DE/DX = 0.0 ! ! R15 R(7,9) 1.3658 -DE/DX = 0.0 ! ! R16 R(9,10) 1.4064 -DE/DX = 0.0 ! ! R17 R(10,11) 1.3366 -DE/DX = 0.0 ! ! R18 R(10,16) 1.5194 -DE/DX = 0.0 ! ! R19 R(11,17) 1.0713 -DE/DX = 0.0 ! ! R20 R(16,20) 1.0737 -DE/DX = 0.0 ! ! R21 R(16,21) 1.0834 -DE/DX = 0.0 ! ! R22 R(16,22) 1.5365 -DE/DX = 0.0 ! ! R23 R(22,23) 1.0849 -DE/DX = 0.0 ! ! R24 R(22,24) 1.0835 -DE/DX = 0.0 ! ! R25 R(22,25) 1.084 -DE/DX = 0.0 ! ! A1 A(2,1,3) 109.9834 -DE/DX = 0.0 ! ! A2 A(2,1,9) 113.7548 -DE/DX = 0.0 ! ! A3 A(2,1,12) 108.2036 -DE/DX = 0.0 ! ! A4 A(3,1,9) 110.3054 -DE/DX = 0.0 ! ! A5 A(3,1,12) 110.1543 -DE/DX = 0.0 ! ! A6 A(9,1,12) 104.2554 -DE/DX = 0.0 ! ! A7 A(1,2,13) 108.1877 -DE/DX = 0.0 ! ! A8 A(1,2,14) 109.6773 -DE/DX = 0.0 ! ! A9 A(1,2,18) 112.8799 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.6344 -DE/DX = 0.0 ! ! A11 A(13,2,18) 108.0194 -DE/DX = 0.0 ! ! A12 A(14,2,18) 109.3403 -DE/DX = 0.0 ! ! A13 A(1,3,19) 109.83 -DE/DX = 0.0 ! ! A14 A(4,5,6) 120.5161 -DE/DX = 0.0 ! ! A15 A(4,5,11) 127.1024 -DE/DX = 0.0 ! ! A16 A(6,5,11) 112.3599 -DE/DX = 0.0 ! ! A17 A(5,6,7) 128.0211 -DE/DX = 0.0 ! ! A18 A(5,6,15) 116.2101 -DE/DX = 0.0 ! ! A19 A(7,6,15) 115.7595 -DE/DX = 0.0 ! ! A20 A(6,7,8) 118.007 -DE/DX = 0.0 ! ! A21 A(6,7,9) 116.5013 -DE/DX = 0.0 ! ! A22 A(8,7,9) 125.4903 -DE/DX = 0.0 ! ! A23 A(1,9,7) 117.6763 -DE/DX = 0.0 ! ! A24 A(1,9,10) 121.8048 -DE/DX = 0.0 ! ! A25 A(7,9,10) 120.265 -DE/DX = 0.0 ! ! A26 A(9,10,11) 120.8103 -DE/DX = 0.0 ! ! A27 A(9,10,16) 121.2701 -DE/DX = 0.0 ! ! A28 A(11,10,16) 117.8157 -DE/DX = 0.0 ! ! A29 A(5,11,10) 121.5831 -DE/DX = 0.0 ! ! A30 A(5,11,17) 117.415 -DE/DX = 0.0 ! ! A31 A(10,11,17) 120.9266 -DE/DX = 0.0 ! ! A32 A(10,16,20) 112.0662 -DE/DX = 0.0 ! ! A33 A(10,16,21) 106.733 -DE/DX = 0.0 ! ! A34 A(10,16,22) 111.6246 -DE/DX = 0.0 ! ! A35 A(20,16,21) 106.34 -DE/DX = 0.0 ! ! A36 A(20,16,22) 110.9381 -DE/DX = 0.0 ! ! A37 A(21,16,22) 108.8591 -DE/DX = 0.0 ! ! A38 A(16,22,23) 109.7363 -DE/DX = 0.0 ! ! A39 A(16,22,24) 111.1374 -DE/DX = 0.0 ! ! A40 A(16,22,25) 111.9752 -DE/DX = 0.0 ! ! A41 A(23,22,24) 108.1427 -DE/DX = 0.0 ! ! A42 A(23,22,25) 107.9913 -DE/DX = 0.0 ! ! A43 A(24,22,25) 107.7227 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) 63.4573 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) -178.2042 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -56.0187 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -172.246 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -53.9075 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 68.278 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) -56.9088 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) 61.4297 -DE/DX = 0.0 ! ! D9 D(12,1,2,18) -176.3848 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) -157.777 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) 75.9534 -DE/DX = 0.0 ! ! D12 D(12,1,3,19) -38.5969 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 106.5062 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -79.2713 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -129.3708 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 44.8517 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -11.1376 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 163.0849 -DE/DX = 0.0 ! ! D19 D(4,5,6,7) -176.9736 -DE/DX = 0.0 ! ! D20 D(4,5,6,15) 1.8641 -DE/DX = 0.0 ! ! D21 D(11,5,6,7) 4.5969 -DE/DX = 0.0 ! ! D22 D(11,5,6,15) -176.5654 -DE/DX = 0.0 ! ! D23 D(4,5,11,10) 179.5235 -DE/DX = 0.0 ! ! D24 D(4,5,11,17) -3.6049 -DE/DX = 0.0 ! ! D25 D(6,5,11,10) -2.1729 -DE/DX = 0.0 ! ! D26 D(6,5,11,17) 174.6987 -DE/DX = 0.0 ! ! D27 D(5,6,7,8) 179.5231 -DE/DX = 0.0 ! ! D28 D(5,6,7,9) -0.8885 -DE/DX = 0.0 ! ! D29 D(15,6,7,8) 0.6809 -DE/DX = 0.0 ! ! D30 D(15,6,7,9) -179.7307 -DE/DX = 0.0 ! ! D31 D(6,7,9,1) 168.9532 -DE/DX = 0.0 ! ! D32 D(6,7,9,10) -5.3623 -DE/DX = 0.0 ! ! D33 D(8,7,9,1) -11.4931 -DE/DX = 0.0 ! ! D34 D(8,7,9,10) 174.1914 -DE/DX = 0.0 ! ! D35 D(1,9,10,11) -166.4498 -DE/DX = 0.0 ! ! D36 D(1,9,10,16) 17.3372 -DE/DX = 0.0 ! ! D37 D(7,9,10,11) 7.6258 -DE/DX = 0.0 ! ! D38 D(7,9,10,16) -168.5871 -DE/DX = 0.0 ! ! D39 D(9,10,11,5) -3.5425 -DE/DX = 0.0 ! ! D40 D(9,10,11,17) 179.6949 -DE/DX = 0.0 ! ! D41 D(16,10,11,5) 172.7979 -DE/DX = 0.0 ! ! D42 D(16,10,11,17) -3.9647 -DE/DX = 0.0 ! ! D43 D(9,10,16,20) -26.7442 -DE/DX = 0.0 ! ! D44 D(9,10,16,21) -142.7758 -DE/DX = 0.0 ! ! D45 D(9,10,16,22) 98.3904 -DE/DX = 0.0 ! ! D46 D(11,10,16,20) 156.9332 -DE/DX = 0.0 ! ! D47 D(11,10,16,21) 40.9016 -DE/DX = 0.0 ! ! D48 D(11,10,16,22) -77.9323 -DE/DX = 0.0 ! ! D49 D(10,16,22,23) -178.1329 -DE/DX = 0.0 ! ! D50 D(10,16,22,24) 62.3037 -DE/DX = 0.0 ! ! D51 D(10,16,22,25) -58.2236 -DE/DX = 0.0 ! ! D52 D(20,16,22,23) -52.3741 -DE/DX = 0.0 ! ! D53 D(20,16,22,24) -171.9375 -DE/DX = 0.0 ! ! D54 D(20,16,22,25) 67.5353 -DE/DX = 0.0 ! ! D55 D(21,16,22,23) 64.3063 -DE/DX = 0.0 ! ! D56 D(21,16,22,24) -55.2572 -DE/DX = 0.0 ! ! D57 D(21,16,22,25) -175.7844 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.032439 -4.991701 2.157002 2 6 0 7.138250 -5.199113 3.654602 3 8 0 7.067369 -6.215443 1.505405 4 8 0 2.869973 -2.219010 -0.087011 5 6 0 3.695444 -2.859362 0.490528 6 7 0 4.952152 -2.325018 0.744649 7 6 0 6.006792 -2.926199 1.328424 8 16 0 7.426944 -2.038354 1.501515 9 7 0 5.822558 -4.215425 1.739797 10 6 0 4.552703 -4.813297 1.650649 11 6 0 3.545889 -4.192493 1.028138 12 1 0 7.857257 -4.383134 1.844195 13 1 0 8.103098 -5.643589 3.867083 14 1 0 7.078697 -4.243498 4.160116 15 1 0 5.100347 -1.384041 0.444380 16 6 0 4.256584 -6.140643 2.328228 17 1 0 2.579186 -4.648289 0.954919 18 1 0 6.374687 -5.857032 4.042350 19 1 0 7.342705 -6.093342 0.606076 20 1 0 5.139816 -6.739888 2.444830 21 1 0 3.600734 -6.690461 1.663976 22 6 0 3.545751 -5.942283 3.675927 23 1 0 3.378957 -6.905060 4.147351 24 1 0 2.584401 -5.460458 3.543403 25 1 0 4.129266 -5.332867 4.356466 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515593 0.000000 3 O 1.386846 2.378445 0.000000 4 O 5.481745 6.410840 6.010440 0.000000 5 C 4.296457 5.228644 4.864476 1.193735 0.000000 6 N 3.665179 4.637594 4.493139 2.244630 1.389035 7 C 2.450468 3.443463 3.460530 3.513290 2.459445 8 S 3.050829 3.835300 4.192539 4.829289 3.952246 9 N 1.496822 2.522928 2.367396 4.005079 2.814994 10 C 2.537186 3.293893 2.882820 3.547022 2.428711 11 C 3.750879 4.562527 4.089123 2.365387 1.445209 12 H 1.071694 2.111958 2.023873 5.769401 4.634111 13 H 2.120294 1.083346 2.641453 7.399202 6.211317 14 H 2.138788 1.082724 3.306991 6.312685 5.179586 15 H 4.436357 5.386404 5.323288 2.440105 2.037757 16 C 3.009113 3.309040 2.929700 4.809914 3.802476 17 H 4.625408 5.326984 4.785686 2.659243 2.159155 18 H 2.176229 1.079923 2.654121 6.524557 5.364682 19 H 1.927497 3.183545 0.948425 5.957864 4.875909 20 H 2.592494 2.798441 2.207492 5.656920 4.578645 21 H 3.860759 4.324434 3.502619 4.857349 4.007901 22 C 3.920170 3.668624 4.145790 5.336585 4.435491 23 H 4.579341 4.157564 4.589099 6.336241 5.462618 24 H 4.682616 4.562698 4.982012 4.875289 4.161750 25 H 3.658203 3.092650 4.188071 5.570136 4.609979 6 7 8 9 10 6 N 0.000000 7 C 1.347026 0.000000 8 S 2.603770 1.683764 0.000000 9 N 2.306852 1.365750 2.714861 0.000000 10 C 2.678046 2.404027 3.997976 1.406389 0.000000 11 C 2.354869 2.783831 4.463966 2.385415 1.336634 12 H 3.726188 2.410996 2.408442 2.044267 3.338050 13 H 5.539943 4.268898 4.364724 3.430140 4.266997 14 H 4.457373 3.301929 3.471613 2.727016 3.605931 15 H 0.998779 1.995352 2.637938 3.196315 3.676247 16 C 4.189336 3.794139 5.250087 2.550488 1.519423 17 H 3.327578 3.854035 5.532747 3.364947 2.099056 18 H 5.037218 4.011299 4.705889 2.881227 3.182647 19 H 4.464774 3.512441 4.153533 2.668846 3.242492 20 H 4.734650 4.067215 5.312742 2.708528 2.164989 21 H 4.661394 4.480110 6.025644 3.326868 2.104796 22 C 4.863637 4.545796 5.918817 3.451737 2.527907 23 H 5.918624 5.539242 6.860866 4.359087 3.462177 24 H 4.823926 4.800142 6.271390 3.910085 2.806341 25 H 4.771742 4.299558 5.466191 3.311023 2.787597 11 12 13 14 15 11 C 0.000000 12 H 4.392060 0.000000 13 H 5.561784 2.396092 0.000000 14 H 4.721506 2.447273 1.759409 0.000000 15 H 3.262593 4.307505 6.234994 5.088915 0.000000 16 C 2.447572 4.035837 4.172626 3.862551 5.185179 17 H 1.071273 5.359026 6.323363 5.539201 4.155986 18 H 4.456261 3.033525 1.750337 1.764367 5.880219 19 H 4.266986 2.173135 3.378556 4.015323 5.218412 20 H 3.322174 3.646854 3.464926 3.596308 5.717382 21 H 2.578205 4.845021 5.120635 4.930980 5.647508 22 C 3.173728 4.937132 4.571124 3.949939 5.799762 23 H 4.137073 5.632034 4.897690 4.557648 6.867083 24 H 2.976366 5.643665 5.531214 4.696810 5.705357 25 H 3.566308 4.594716 4.015891 3.150305 5.642752 16 17 18 19 20 16 C 0.000000 17 H 2.631873 0.000000 18 H 2.739528 5.039754 0.000000 19 H 3.534429 4.990088 3.577831 0.000000 20 H 1.073680 3.626492 2.203727 2.941387 0.000000 21 H 1.083360 2.390980 3.747810 3.934215 1.726542 22 C 1.536529 3.164261 2.853842 4.885044 2.166290 23 H 2.159576 3.990522 3.175498 5.376877 2.454889 24 H 2.176120 2.712912 3.843500 5.627601 3.061691 25 H 2.186884 3.800252 2.327087 4.996992 2.579781 21 22 23 24 25 21 H 0.000000 22 C 2.147262 0.000000 23 H 2.502476 1.084896 0.000000 24 H 2.465377 1.083473 1.755833 0.000000 25 H 3.061357 1.083980 1.754561 1.750417 0.000000 Stoichiometry C8H12N2O2S Framework group C1[X(C8H12N2O2S)] Deg. of freedom 69 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 1.416901 1.204816 -0.373335 2 6 0 2.386725 1.262223 0.789922 3 8 0 2.081500 0.812342 -1.525557 4 8 0 -3.151925 -1.817903 -0.177053 5 6 0 -2.104267 -1.246549 -0.145901 6 7 0 -2.053588 0.121275 0.090541 7 6 0 -0.970189 0.921639 0.102485 8 16 0 -1.201688 2.561136 0.408293 9 7 0 0.234112 0.320582 -0.129172 10 6 0 0.316250 -1.077996 -0.252307 11 6 0 -0.789604 -1.827446 -0.297060 12 1 0 0.994086 2.180710 -0.505185 13 1 0 3.126621 2.024091 0.576029 14 1 0 1.856985 1.538268 1.692954 15 1 0 -2.928741 0.572890 0.257010 16 6 0 1.657320 -1.792265 -0.253064 17 1 0 -0.729305 -2.892463 -0.395698 18 1 0 2.905312 0.328705 0.950687 19 1 0 1.596086 1.095950 -2.289396 20 1 0 2.450207 -1.161249 -0.607943 21 1 0 1.576116 -2.607490 -0.961924 22 6 0 1.992398 -2.369158 1.131075 23 1 0 2.968243 -2.842453 1.104271 24 1 0 1.264472 -3.113634 1.430728 25 1 0 2.013470 -1.601578 1.896182 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7921859 0.6957896 0.4258234 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -91.89448 -20.60210 -20.54678 -15.65907 -15.63724 Alpha occ. eigenvalues -- -11.40414 -11.37472 -11.35082 -11.33718 -11.25789 Alpha occ. eigenvalues -- -11.24614 -11.24094 -11.23756 -8.90617 -6.58960 Alpha occ. eigenvalues -- -6.58641 -6.58565 -1.43028 -1.42041 -1.35598 Alpha occ. eigenvalues -- -1.25976 -1.13610 -1.05614 -1.04531 -0.99253 Alpha occ. eigenvalues -- -0.93356 -0.90329 -0.84982 -0.84104 -0.79191 Alpha occ. eigenvalues -- -0.76749 -0.73593 -0.68557 -0.67680 -0.65810 Alpha occ. eigenvalues -- -0.63676 -0.62577 -0.61931 -0.60431 -0.58274 Alpha occ. eigenvalues -- -0.57071 -0.55553 -0.55090 -0.53838 -0.53176 Alpha occ. eigenvalues -- -0.52580 -0.52022 -0.49175 -0.46929 -0.44539 Alpha occ. eigenvalues -- -0.37946 -0.33699 -0.32670 Alpha virt. eigenvalues -- 0.09690 0.11747 0.19676 0.21658 0.22045 Alpha virt. eigenvalues -- 0.24737 0.27208 0.27821 0.28380 0.29096 Alpha virt. eigenvalues -- 0.29821 0.30633 0.30997 0.31862 0.33434 Alpha virt. eigenvalues -- 0.35112 0.35839 0.37946 0.38767 0.38857 Alpha virt. eigenvalues -- 0.40159 0.42091 0.43676 0.47376 0.48699 Alpha virt. eigenvalues -- 0.52147 0.53647 0.57931 0.58267 0.62133 Alpha virt. eigenvalues -- 0.62548 0.66620 0.69464 0.70327 0.70474 Alpha virt. eigenvalues -- 0.71474 0.74508 0.75701 0.77398 0.78699 Alpha virt. eigenvalues -- 0.79461 0.81601 0.82818 0.85870 0.86495 Alpha virt. eigenvalues -- 0.87787 0.90090 0.91017 0.93721 0.95181 Alpha virt. eigenvalues -- 0.96955 0.98135 0.99172 1.02841 1.03643 Alpha virt. eigenvalues -- 1.04702 1.07498 1.08490 1.09435 1.09851 Alpha virt. eigenvalues -- 1.10637 1.12331 1.13332 1.14308 1.14721 Alpha virt. eigenvalues -- 1.16201 1.16779 1.17978 1.19764 1.21368 Alpha virt. eigenvalues -- 1.22103 1.24006 1.24827 1.26570 1.28438 Alpha virt. eigenvalues -- 1.29225 1.29985 1.30779 1.32363 1.33385 Alpha virt. eigenvalues -- 1.34937 1.35402 1.37918 1.40013 1.43181 Alpha virt. eigenvalues -- 1.44842 1.49002 1.51462 1.56170 1.58901 Alpha virt. eigenvalues -- 1.62786 1.64945 1.66218 1.67787 1.71255 Alpha virt. eigenvalues -- 1.72225 1.73787 1.76892 1.82028 1.83401 Alpha virt. eigenvalues -- 1.84567 1.90735 1.95354 1.95997 1.99659 Alpha virt. eigenvalues -- 2.02602 2.05950 2.07287 2.09428 2.10537 Alpha virt. eigenvalues -- 2.11291 2.13476 2.16644 2.17604 2.24065 Alpha virt. eigenvalues -- 2.25211 2.26523 2.27899 2.30038 2.30852 Alpha virt. eigenvalues -- 2.35805 2.39391 2.40652 2.45197 2.45794 Alpha virt. eigenvalues -- 2.47965 2.49720 2.52048 2.53451 2.54223 Alpha virt. eigenvalues -- 2.58049 2.60085 2.60384 2.63249 2.67309 Alpha virt. eigenvalues -- 2.69572 2.71630 2.72820 2.74868 2.82594 Alpha virt. eigenvalues -- 2.85091 2.87326 2.92388 2.95271 2.99235 Alpha virt. eigenvalues -- 3.01549 3.02131 3.02980 3.08551 3.10918 Alpha virt. eigenvalues -- 3.17735 3.22855 3.24895 3.31560 3.37864 Alpha virt. eigenvalues -- 3.57145 3.78397 4.23224 4.38169 4.40199 Alpha virt. eigenvalues -- 4.44135 4.53634 4.58245 4.64754 4.69652 Alpha virt. eigenvalues -- 4.72673 4.86132 4.92898 4.95824 5.13361 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.684638 0.373982 0.219584 0.000001 -0.000021 0.001063 2 C 0.373982 5.131417 -0.061527 -0.000000 0.000016 -0.000143 3 O 0.219584 -0.061527 8.404585 -0.000000 0.000016 -0.000052 4 O 0.000001 -0.000000 -0.000000 8.109024 0.630054 -0.094828 5 C -0.000021 0.000016 0.000016 0.630054 3.979065 0.221102 6 N 0.001063 -0.000143 -0.000052 -0.094828 0.221102 7.431158 7 C -0.035755 -0.000006 0.002148 0.002143 -0.012671 0.279538 8 S -0.034534 -0.002255 0.001456 -0.000198 0.001716 -0.104602 9 N 0.166728 -0.065677 -0.068837 0.000085 -0.011220 -0.077493 10 C -0.021835 -0.001625 0.008833 0.003658 -0.039528 0.000862 11 C 0.001076 -0.000207 0.000068 -0.068296 0.425224 -0.122173 12 H 0.437336 -0.043073 -0.029628 -0.000000 -0.000041 0.000528 13 H -0.035084 0.388692 0.001904 0.000000 -0.000000 0.000002 14 H -0.035162 0.386720 0.002753 0.000000 0.000001 -0.000011 15 H -0.000006 0.000002 0.000000 0.005888 -0.007448 0.304745 16 C 0.004881 -0.004186 -0.014671 -0.000059 0.001309 -0.000245 17 H -0.000056 0.000001 -0.000000 0.000479 -0.016515 0.003479 18 H -0.027707 0.386135 -0.000915 0.000000 -0.000001 0.000003 19 H -0.021403 0.005836 0.260740 0.000000 0.000003 -0.000022 20 H -0.001331 -0.003961 0.003898 0.000000 -0.000030 0.000012 21 H -0.000034 0.000109 0.000217 -0.000001 0.000105 -0.000005 22 C -0.000228 -0.001085 0.000463 0.000002 -0.000073 0.000004 23 H 0.000022 0.000026 -0.000001 -0.000000 0.000001 -0.000000 24 H 0.000007 0.000024 -0.000006 -0.000001 0.000017 -0.000001 25 H -0.000256 -0.000432 0.000014 0.000000 0.000008 -0.000004 7 8 9 10 11 12 1 C -0.035755 -0.034534 0.166728 -0.021835 0.001076 0.437336 2 C -0.000006 -0.002255 -0.065677 -0.001625 -0.000207 -0.043073 3 O 0.002148 0.001456 -0.068837 0.008833 0.000068 -0.029628 4 O 0.002143 -0.000198 0.000085 0.003658 -0.068296 -0.000000 5 C -0.012671 0.001716 -0.011220 -0.039528 0.425224 -0.000041 6 N 0.279538 -0.104602 -0.077493 0.000862 -0.122173 0.000528 7 C 4.633325 0.422974 0.266991 -0.041006 -0.004056 -0.002011 8 S 0.422974 16.090443 -0.079697 0.000735 -0.000486 0.006564 9 N 0.266991 -0.079697 7.542892 0.244284 -0.048106 -0.053733 10 C -0.041006 0.000735 0.244284 4.687193 0.556887 0.003083 11 C -0.004056 -0.000486 -0.048106 0.556887 5.347063 0.000037 12 H -0.002011 0.006564 -0.053733 0.003083 0.000037 0.443033 13 H -0.000043 0.000213 0.004403 -0.000114 0.000002 -0.003129 14 H 0.000583 0.002497 0.000285 0.000199 -0.000005 -0.001812 15 H -0.023391 0.004830 0.003253 -0.000920 0.005962 0.000005 16 C 0.002445 -0.000080 -0.038391 0.318228 -0.048523 -0.000093 17 H -0.000060 0.000008 0.002691 -0.032884 0.383883 0.000002 18 H -0.000030 -0.000117 -0.003380 0.000851 0.000023 0.003433 19 H 0.000566 0.000204 0.002538 -0.000423 -0.000101 -0.005886 20 H -0.000146 -0.000022 -0.002590 -0.036728 0.003458 0.000306 21 H -0.000068 0.000003 0.002429 -0.043249 -0.003490 0.000002 22 C -0.000107 0.000008 0.000744 -0.055855 -0.007814 -0.000006 23 H 0.000001 -0.000000 -0.000075 0.005727 0.000114 0.000000 24 H 0.000005 0.000000 0.000042 -0.003048 0.002551 0.000000 25 H -0.000030 0.000002 0.000773 -0.003955 0.000539 0.000000 13 14 15 16 17 18 1 C -0.035084 -0.035162 -0.000006 0.004881 -0.000056 -0.027707 2 C 0.388692 0.386720 0.000002 -0.004186 0.000001 0.386135 3 O 0.001904 0.002753 0.000000 -0.014671 -0.000000 -0.000915 4 O 0.000000 0.000000 0.005888 -0.000059 0.000479 0.000000 5 C -0.000000 0.000001 -0.007448 0.001309 -0.016515 -0.000001 6 N 0.000002 -0.000011 0.304745 -0.000245 0.003479 0.000003 7 C -0.000043 0.000583 -0.023391 0.002445 -0.000060 -0.000030 8 S 0.000213 0.002497 0.004830 -0.000080 0.000008 -0.000117 9 N 0.004403 0.000285 0.003253 -0.038391 0.002691 -0.003380 10 C -0.000114 0.000199 -0.000920 0.318228 -0.032884 0.000851 11 C 0.000002 -0.000005 0.005962 -0.048523 0.383883 0.000023 12 H -0.003129 -0.001812 0.000005 -0.000093 0.000002 0.003433 13 H 0.495889 -0.020394 -0.000000 0.000095 -0.000000 -0.024581 14 H -0.020394 0.489667 -0.000000 0.000137 -0.000000 -0.024461 15 H -0.000000 -0.000000 0.262991 0.000008 -0.000071 0.000000 16 C 0.000095 0.000137 0.000008 5.164762 -0.003029 -0.003515 17 H -0.000000 -0.000000 -0.000071 -0.003029 0.421495 0.000001 18 H -0.024581 -0.024461 0.000000 -0.003515 0.000001 0.516093 19 H -0.000194 -0.000162 -0.000000 0.000552 -0.000000 -0.000158 20 H 0.000095 0.000112 -0.000000 0.401230 0.000151 0.001341 21 H -0.000000 -0.000003 -0.000000 0.406140 0.000451 0.000167 22 C 0.000036 -0.000055 -0.000000 0.314489 0.000260 -0.001856 23 H -0.000003 -0.000000 0.000000 -0.037915 -0.000018 0.000056 24 H -0.000000 0.000001 -0.000000 -0.035859 0.000501 0.000057 25 H 0.000041 0.000121 -0.000000 -0.037686 -0.000009 0.000358 19 20 21 22 23 24 1 C -0.021403 -0.001331 -0.000034 -0.000228 0.000022 0.000007 2 C 0.005836 -0.003961 0.000109 -0.001085 0.000026 0.000024 3 O 0.260740 0.003898 0.000217 0.000463 -0.000001 -0.000006 4 O 0.000000 0.000000 -0.000001 0.000002 -0.000000 -0.000001 5 C 0.000003 -0.000030 0.000105 -0.000073 0.000001 0.000017 6 N -0.000022 0.000012 -0.000005 0.000004 -0.000000 -0.000001 7 C 0.000566 -0.000146 -0.000068 -0.000107 0.000001 0.000005 8 S 0.000204 -0.000022 0.000003 0.000008 -0.000000 0.000000 9 N 0.002538 -0.002590 0.002429 0.000744 -0.000075 0.000042 10 C -0.000423 -0.036728 -0.043249 -0.055855 0.005727 -0.003048 11 C -0.000101 0.003458 -0.003490 -0.007814 0.000114 0.002551 12 H -0.005886 0.000306 0.000002 -0.000006 0.000000 0.000000 13 H -0.000194 0.000095 -0.000000 0.000036 -0.000003 -0.000000 14 H -0.000162 0.000112 -0.000003 -0.000055 -0.000000 0.000001 15 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 16 C 0.000552 0.401230 0.406140 0.314489 -0.037915 -0.035859 17 H -0.000000 0.000151 0.000451 0.000260 -0.000018 0.000501 18 H -0.000158 0.001341 0.000167 -0.001856 0.000056 0.000057 19 H 0.299631 -0.000189 -0.000024 -0.000008 -0.000000 0.000000 20 H -0.000189 0.446923 -0.023211 -0.032871 -0.002536 0.003130 21 H -0.000024 -0.023211 0.495627 -0.035292 -0.002170 -0.003055 22 C -0.000008 -0.032871 -0.035292 5.126969 0.392290 0.393487 23 H -0.000000 -0.002536 -0.002170 0.392290 0.515555 -0.024503 24 H 0.000000 0.003130 -0.003055 0.393487 -0.024503 0.512860 25 H -0.000001 -0.001812 0.003606 0.394165 -0.025698 -0.026602 25 1 C -0.000256 2 C -0.000432 3 O 0.000014 4 O 0.000000 5 C 0.000008 6 N -0.000004 7 C -0.000030 8 S 0.000002 9 N 0.000773 10 C -0.003955 11 C 0.000539 12 H 0.000000 13 H 0.000041 14 H 0.000121 15 H -0.000000 16 C -0.037686 17 H -0.000009 18 H 0.000358 19 H -0.000001 20 H -0.001812 21 H 0.003606 22 C 0.394165 23 H -0.025698 24 H -0.026602 25 H 0.520925 Mulliken charges: 1 1 C 0.324093 2 C -0.488785 3 O -0.731041 4 O -0.587950 5 C 0.828913 6 N -0.842917 7 C 0.508663 8 S -0.309660 9 N -0.788939 10 C 0.450630 11 C -0.423630 12 H 0.245082 13 H 0.192172 14 H 0.198990 15 H 0.444152 16 C -0.390023 17 H 0.239239 18 H 0.178204 19 H 0.458500 20 H 0.244771 21 H 0.201747 22 C -0.487666 23 H 0.179128 24 H 0.180395 25 H 0.175935 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.569176 2 C 0.080581 3 O -0.272542 4 O -0.587950 5 C 0.828913 6 N -0.398765 7 C 0.508663 8 S -0.309660 9 N -0.788939 10 C 0.450630 11 C -0.184391 16 C 0.056495 22 C 0.047791 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147353542 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= 1.40D+01 NSMCal= 3003 NSMKep= 2753 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 2753 NTPThr= 100 NPartT= 1 Incr= 27 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= 27. PRISM was handed 2147107780 working-precision words and 2753 shell-pairs IPart= 0 NShTot= 2753 NBatch= 56 AvBLen= 49.2 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 28. Electronic moments (au): -106.00000000 1.92758445 -0.61530683 -0.38535700 -1312.28362209 -1140.14502076 -252.12938300 -3.38121127 0.72483959 -2.82701933 464.03498732 -81.08085164 53.80460797 260.90329463 919.18219069 -84.28263484 -623.38123835 5.70564332 -536.84986646 566.38551950 -30083.67617236 -23081.50516783 -2183.22079280 -5614.06470062 -1292.75565697 4830.51721737 -97.85908434 238.30582474 730.17023265 -13619.34695488 -3597.64472257 -2707.81564742 394.40229369 -1124.29905479 219.21012553 Electronic spatial extent (au): = 2704.5580 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 106.00000000 -0.00000000 -0.00000000 -0.00000000 1240.89919276 1070.77918591 190.80561780 0.00000000 0.00000000 0.00000000 -414.36537060 37.27021133 -85.68672120 -202.19373875 -883.55469733 98.78985419 628.94943625 -1.71425033 522.20871802 -562.89916805 25256.73207211 18904.81716001 1434.18200928 5351.78002770 1286.71281957 -4753.71317706 60.66758128 -307.74369393 -806.20396082 12007.83558052 2689.56691926 1879.39139841 -411.24367221 1099.08006424 -162.67478392 Total moments (au): -0.00000000 1.92758445 -0.61530683 -0.38535700 -71.38442932 -69.36583485 -61.32376520 -3.38121127 0.72483959 -2.82701933 49.66961672 -43.81064031 -31.88211323 58.70955589 35.62749336 14.50721935 5.56819791 3.99139300 -14.64114845 3.48635145 -4826.94410025 -4176.68800783 -749.03878351 -262.28467292 -6.04283740 76.80404031 -37.19150306 -69.43786919 -76.03372817 -1611.51137436 -908.07780331 -828.42424901 -16.84137852 -25.21899055 56.53534162 Traceless Quadrup. (au): -4.02641953 -2.00782506 6.03424459 -3.38121127 0.72483959 -2.82701933 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 4.8994 Y= -1.5640 Z= -0.9795 Tot= 5.2354 Quadrupole moment (field-independent basis, Debye-Ang): XX= -96.0145 YY= -93.2994 ZZ= -82.4826 XY= -4.5478 XZ= 0.9749 YZ= -3.8024 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -5.4157 YY= -2.7006 ZZ= 8.1163 XY= -4.5478 XZ= 0.9749 YZ= -3.8024 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3529 YYY= -31.1827 ZZZ= -22.6925 XYY= 41.7872 XXY= 25.3583 XXZ= 10.3257 XZZ= 3.9632 YZZ= 2.8409 YYZ= -10.4210 XYZ= 2.4815 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1818.0586 YYYY= -1573.1410 ZZZZ= -282.1239 XXXY= -98.7890 XXXZ= -2.2760 YYYX= 28.9281 YYYZ= -14.0081 ZZZX= -26.1536 ZZZY= -28.6379 XXYY= -606.9725 XXZZ= -342.0256 YYZZ= -312.0243 XXYZ= -6.3433 YYXZ= -9.4987 ZZXY= 21.2939 N-N= 9.445113193465D+02 E-N=-4.165672233923D+03 KE= 9.651008325662D+02 Entering OneElI... OneElI was handed 2147377645 working-precision words. Calculate electrostatic properties NBasis = 223 MinDer = 0 MaxDer = 0 NGrid = 25 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.40D+01 NSMCal= 3003 NSMKep= 2563 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 64075 NTPThr= 100 NPartT= 12 Incr= 53 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= 53. PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs PRISM was handed 178853289 working-precision words and 2563 shell-pairs IPart= 0 NShTot= 6075 NBatch= 243 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 5175 NBatch= 207 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 5300 NBatch= 212 AvBLen= 25.0 IPart= 5 NShTot= 5375 NBatch= 215 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 9 NShTot= 4975 NBatch= 199 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 4825 NBatch= 193 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 4900 NBatch= 196 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 5025 NBatch= 201 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 5550 NBatch= 222 AvBLen= 25.0 IPart= 3 NShTot= 5550 NBatch= 222 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 4 NShTot= 5525 NBatch= 221 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 5800 NBatch= 232 AvBLen= 25.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 637. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.075708 0.120193 -0.044484 2 Atom -0.014642 0.034361 -0.019719 3 Atom 0.404712 1.376188 -1.780901 4 Atom -0.251157 1.010508 -0.759351 5 Atom 0.434685 0.045964 -0.480649 6 Atom -0.381734 -0.306418 0.688152 7 Atom 0.100703 0.402572 -0.503275 8 Atom 1.957167 -2.351971 0.394805 9 Atom -0.338202 -0.455389 0.793591 10 Atom 0.437593 -0.026879 -0.410715 11 Atom 0.036054 0.063861 -0.099915 12 Atom 0.078041 -0.221445 0.143404 13 Atom -0.062603 -0.073993 0.136596 14 Atom 0.041471 0.132750 -0.174220 15 Atom -0.279761 0.058180 0.221581 16 Atom -0.063396 0.034404 0.028992 17 Atom 0.147241 -0.328286 0.181044 18 Atom 0.053309 -0.203856 0.150547 19 Atom 0.048568 0.206593 -0.255161 20 Atom -0.108443 -0.008735 0.117177 21 Atom 0.147071 -0.107838 -0.039234 22 Atom 0.037624 0.019416 -0.057040 23 Atom -0.223007 0.071157 0.151850 24 Atom -0.055527 -0.063092 0.118618 25 Atom 0.162377 -0.084315 -0.078061 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.281185 0.294072 -0.088508 2 Atom -0.003034 -0.066659 -0.002203 3 Atom 0.742980 0.061582 0.007259 4 Atom -1.049285 -0.213850 0.364809 5 Atom -0.001141 -0.055696 0.089695 6 Atom -0.113270 0.090685 -0.174826 7 Atom -0.003424 -0.081929 0.148214 8 Atom 0.823753 0.049529 -0.640947 9 Atom 0.081867 0.237233 -0.056912 10 Atom 0.062976 -0.008769 0.020217 11 Atom 0.035143 -0.010646 0.013972 12 Atom 0.149416 -0.018021 0.058483 13 Atom -0.227740 0.057179 0.069385 14 Atom 0.057593 0.187461 -0.100028 15 Atom 0.230461 0.092600 -0.054935 16 Atom 0.142101 -0.017441 -0.003295 17 Atom 0.031686 0.003929 -0.047975 18 Atom 0.196837 -0.039795 0.057630 19 Atom 0.141070 -0.305696 0.179244 20 Atom -0.203000 0.113214 0.085955 21 Atom -0.022463 -0.026720 -0.230938 22 Atom 0.016489 -0.025641 0.043457 23 Atom 0.186233 0.011983 -0.002869 24 Atom -0.220159 0.082443 0.091140 25 Atom -0.004904 -0.008876 -0.232564 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4643 2.230 0.796 0.744 0.7967 0.6037 0.0289 6 N(14) Bbb -0.2644 1.270 0.453 0.424 -0.5964 0.7775 0.1995 Bcc 0.7287 -3.500 -1.249 -1.167 0.0980 -0.1762 0.9795 Baa -0.5193 2.494 0.890 0.832 -0.5496 0.8244 0.1351 9 N(14) Bbb -0.3232 1.552 0.554 0.518 0.8124 0.5651 -0.1438 Bcc 0.8425 -4.046 -1.444 -1.350 0.1948 -0.0307 0.9804 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon May 6 12:47:24 2024, MaxMem= 2147483648 cpu: 1.2 elap: 0.1 FitSet: NAtFit= 25 NAtPot= 25 NAtFrz= 0 MDM= 29 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 16 1.75 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 1 1.20 18 1 1.20 19 1 1.20 20 1 1.20 21 1 1.20 22 6 1.50 23 1 1.20 24 1 1.20 25 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 1.416901 1.204816 -0.373335 Atomic Center 2 is at 2.386725 1.262223 0.789922 Atomic Center 3 is at 2.081500 0.812342 -1.525557 Atomic Center 4 is at -3.151925 -1.817903 -0.177053 Atomic Center 5 is at -2.104267 -1.246549 -0.145901 Atomic Center 6 is at -2.053588 0.121275 0.090541 Atomic Center 7 is at -0.970189 0.921639 0.102485 Atomic Center 8 is at -1.201688 2.561136 0.408293 Atomic Center 9 is at 0.234112 0.320582 -0.129172 Atomic Center 10 is at 0.316250 -1.077996 -0.252307 Atomic Center 11 is at -0.789604 -1.827446 -0.297060 Atomic Center 12 is at 0.994086 2.180710 -0.505185 Atomic Center 13 is at 3.126621 2.024091 0.576029 Atomic Center 14 is at 1.856985 1.538268 1.692954 Atomic Center 15 is at -2.928741 0.572890 0.257010 Atomic Center 16 is at 1.657320 -1.792265 -0.253064 Atomic Center 17 is at -0.729305 -2.892463 -0.395698 Atomic Center 18 is at 2.905312 0.328705 0.950687 Atomic Center 19 is at 1.596086 1.095950 -2.289396 Atomic Center 20 is at 2.450207 -1.161249 -0.607943 Atomic Center 21 is at 1.576116 -2.607490 -0.961924 Atomic Center 22 is at 1.992398 -2.369158 1.131075 Atomic Center 23 is at 2.968243 -2.842453 1.104271 Atomic Center 24 is at 1.264472 -3.113634 1.430728 Atomic Center 25 is at 2.013470 -1.601578 1.896182 ESP Fit Center 26 is at 2.506381 2.952725 -0.783025 ESP Fit Center 27 is at 2.672926 2.683522 -1.176971 ESP Fit Center 28 is at -0.007873 1.623167 -1.858260 ESP Fit Center 29 is at 3.190360 1.262223 2.730069 ESP Fit Center 30 is at 2.788543 0.566254 2.730069 ESP Fit Center 31 is at 3.082694 0.860405 2.730069 ESP Fit Center 32 is at 3.553423 1.262223 2.536008 ESP Fit Center 33 is at 3.474638 1.683683 2.536008 ESP Fit Center 34 is at 3.248925 2.048222 2.536008 ESP Fit Center 35 is at 3.474638 0.840763 2.536008 ESP Fit Center 36 is at 3.871649 1.262223 2.274846 ESP Fit Center 37 is at 3.811500 1.680574 2.274846 ESP Fit Center 38 is at 3.635923 2.065033 2.274846 ESP Fit Center 39 is at 3.359144 2.384454 2.274846 ESP Fit Center 40 is at 3.811500 0.843871 2.274846 ESP Fit Center 41 is at 4.132811 1.262223 1.956620 ESP Fit Center 42 is at 4.082073 1.680089 1.956620 ESP Fit Center 43 is at 4.326872 1.262223 1.593557 ESP Fit Center 44 is at 1.870469 3.256122 1.199612 ESP Fit Center 45 is at 1.479668 3.111385 1.199612 ESP Fit Center 46 is at 1.977036 3.321872 0.789922 ESP Fit Center 47 is at 1.583090 3.202370 0.789922 ESP Fit Center 48 is at 4.404213 0.847618 0.380233 ESP Fit Center 49 is at 4.281513 0.845149 -0.013713 ESP Fit Center 50 is at 3.932808 0.450776 -0.376775 ESP Fit Center 51 is at 4.082073 0.844357 -0.376775 ESP Fit Center 52 is at 3.945571 0.812342 -0.919884 ESP Fit Center 53 is at 3.898834 1.227137 -0.919884 ESP Fit Center 54 is at 3.760970 0.003552 -0.919884 ESP Fit Center 55 is at 3.898834 0.397547 -0.919884 ESP Fit Center 56 is at 4.030763 0.812342 -1.320681 ESP Fit Center 57 is at 3.985190 1.231376 -1.320681 ESP Fit Center 58 is at 3.850603 1.630816 -1.320681 ESP Fit Center 59 is at 3.633295 1.991985 -1.320681 ESP Fit Center 60 is at 3.343426 2.297996 -1.320681 ESP Fit Center 61 is at 2.994551 2.534539 -1.320681 ESP Fit Center 62 is at 2.602983 2.690554 -1.320681 ESP Fit Center 63 is at 3.850603 -0.006132 -1.320681 ESP Fit Center 64 is at 3.985190 0.393308 -1.320681 ESP Fit Center 65 is at 4.030763 0.812342 -1.730433 ESP Fit Center 66 is at 3.985190 1.231376 -1.730433 ESP Fit Center 67 is at 3.850603 1.630816 -1.730433 ESP Fit Center 68 is at 3.633295 1.991985 -1.730433 ESP Fit Center 69 is at 3.343426 2.297996 -1.730433 ESP Fit Center 70 is at 2.994551 2.534539 -1.730433 ESP Fit Center 71 is at 2.602983 2.690554 -1.730433 ESP Fit Center 72 is at 2.187031 2.758746 -1.730433 ESP Fit Center 73 is at 3.633295 -0.367302 -1.730433 ESP Fit Center 74 is at 3.850603 -0.006132 -1.730433 ESP Fit Center 75 is at 3.985190 0.393308 -1.730433 ESP Fit Center 76 is at 3.945571 0.812342 -2.131230 ESP Fit Center 77 is at 3.898834 1.227137 -2.131230 ESP Fit Center 78 is at 3.760970 1.621132 -2.131230 ESP Fit Center 79 is at 3.538889 1.974571 -2.131230 ESP Fit Center 80 is at 3.243729 2.269731 -2.131230 ESP Fit Center 81 is at 2.890290 2.491812 -2.131230 ESP Fit Center 82 is at 2.496295 2.629676 -2.131230 ESP Fit Center 83 is at 1.272710 -0.867128 -2.131230 ESP Fit Center 84 is at 3.243729 -0.645047 -2.131230 ESP Fit Center 85 is at 3.538889 -0.349887 -2.131230 ESP Fit Center 86 is at 3.760970 0.003552 -2.131230 ESP Fit Center 87 is at 3.898834 0.397547 -2.131230 ESP Fit Center 88 is at 3.778910 0.812342 -2.505557 ESP Fit Center 89 is at 3.725582 1.234470 -2.505557 ESP Fit Center 90 is at 3.568951 1.630075 -2.505557 ESP Fit Center 91 is at 3.318858 1.974299 -2.505557 ESP Fit Center 92 is at 2.991017 2.245512 -2.505557 ESP Fit Center 93 is at 2.606028 2.426674 -2.505557 ESP Fit Center 94 is at 0.999530 -0.495535 -2.505557 ESP Fit Center 95 is at 1.358778 -0.723520 -2.505557 ESP Fit Center 96 is at 1.763437 -0.855002 -2.505557 ESP Fit Center 97 is at 2.188081 -0.881719 -2.505557 ESP Fit Center 98 is at 2.606028 -0.801991 -2.505557 ESP Fit Center 99 is at 2.991017 -0.620829 -2.505557 ESP Fit Center 100 is at 3.318858 -0.349615 -2.505557 ESP Fit Center 101 is at 3.568951 -0.005392 -2.505557 ESP Fit Center 102 is at 3.725582 0.390213 -2.505557 ESP Fit Center 103 is at 3.538064 0.812342 -2.837053 ESP Fit Center 104 is at 3.479063 1.222703 -2.837053 ESP Fit Center 105 is at 3.306839 1.599820 -2.837053 ESP Fit Center 106 is at 3.035346 1.913139 -2.837053 ESP Fit Center 107 is at 1.476421 -0.512595 -2.837053 ESP Fit Center 108 is at 1.874209 -0.629396 -2.837053 ESP Fit Center 109 is at 2.288790 -0.629396 -2.837053 ESP Fit Center 110 is at 2.686578 -0.512595 -2.837053 ESP Fit Center 111 is at 3.035346 -0.288456 -2.837053 ESP Fit Center 112 is at 3.306839 0.024864 -2.837053 ESP Fit Center 113 is at 3.479063 0.401980 -2.837053 ESP Fit Center 114 is at 3.233559 0.812342 -3.111230 ESP Fit Center 115 is at 3.155763 1.228514 -3.111230 ESP Fit Center 116 is at 2.187798 -0.334803 -3.111230 ESP Fit Center 117 is at 2.595017 -0.218939 -3.111230 ESP Fit Center 118 is at 2.932882 0.036205 -3.111230 ESP Fit Center 119 is at 3.155763 0.396170 -3.111230 ESP Fit Center 120 is at 2.771899 0.413740 -3.316106 ESP Fit Center 121 is at -3.151925 -1.817903 1.782947 ESP Fit Center 122 is at -3.355679 -1.464992 1.740116 ESP Fit Center 123 is at -3.559432 -1.817903 1.740116 ESP Fit Center 124 is at -3.355679 -2.170814 1.740116 ESP Fit Center 125 is at -2.948172 -2.170814 1.740116 ESP Fit Center 126 is at -3.550527 -1.127504 1.613496 ESP Fit Center 127 is at -3.842324 -1.419301 1.613496 ESP Fit Center 128 is at -3.949129 -1.817903 1.613496 ESP Fit Center 129 is at -3.842324 -2.216505 1.613496 ESP Fit Center 130 is at -3.550527 -2.508302 1.613496 ESP Fit Center 131 is at -3.151925 -2.615107 1.613496 ESP Fit Center 132 is at -2.753324 -2.508302 1.613496 ESP Fit Center 133 is at -3.467201 -0.709823 1.408620 ESP Fit Center 134 is at -3.846196 -0.898540 1.408620 ESP Fit Center 135 is at -4.131426 -1.211422 1.408620 ESP Fit Center 136 is at -4.284369 -1.606213 1.408620 ESP Fit Center 137 is at -4.284369 -2.029593 1.408620 ESP Fit Center 138 is at -4.131426 -2.424384 1.408620 ESP Fit Center 139 is at -3.846196 -2.737266 1.408620 ESP Fit Center 140 is at -3.467201 -2.925983 1.408620 ESP Fit Center 141 is at -3.045627 -2.965048 1.408620 ESP Fit Center 142 is at -2.638409 -2.849184 1.408620 ESP Fit Center 143 is at -4.105772 -0.717106 1.134443 ESP Fit Center 144 is at -4.377265 -1.030425 1.134443 ESP Fit Center 145 is at -4.549488 -1.407542 1.134443 ESP Fit Center 146 is at -4.608489 -1.817903 1.134443 ESP Fit Center 147 is at -4.549488 -2.228265 1.134443 ESP Fit Center 148 is at -4.377265 -2.605381 1.134443 ESP Fit Center 149 is at -4.105772 -2.918701 1.134443 ESP Fit Center 150 is at -3.757004 -3.142840 1.134443 ESP Fit Center 151 is at -3.359216 -3.259641 1.134443 ESP Fit Center 152 is at -2.944635 -3.259641 1.134443 ESP Fit Center 153 is at -2.546847 -3.142840 1.134443 ESP Fit Center 154 is at -2.198079 -2.918701 1.134443 ESP Fit Center 155 is at -4.233895 -0.510026 0.802947 ESP Fit Center 156 is at -4.525159 -0.820191 0.802947 ESP Fit Center 157 is at -4.730137 -1.193045 0.802947 ESP Fit Center 158 is at -4.835951 -1.605161 0.802947 ESP Fit Center 159 is at -4.835951 -2.030645 0.802947 ESP Fit Center 160 is at -4.730137 -2.442761 0.802947 ESP Fit Center 161 is at -4.525159 -2.815616 0.802947 ESP Fit Center 162 is at -4.233895 -3.125780 0.802947 ESP Fit Center 163 is at -3.874647 -3.353765 0.802947 ESP Fit Center 164 is at -3.469988 -3.485247 0.802947 ESP Fit Center 165 is at -3.045344 -3.511963 0.802947 ESP Fit Center 166 is at -2.627397 -3.432236 0.802947 ESP Fit Center 167 is at -2.242408 -3.251074 0.802947 ESP Fit Center 168 is at -4.609315 -0.655674 0.428620 ESP Fit Center 169 is at -4.831395 -1.009113 0.428620 ESP Fit Center 170 is at -4.969260 -1.403108 0.428620 ESP Fit Center 171 is at -5.015996 -1.817903 0.428620 ESP Fit Center 172 is at -4.969260 -2.232698 0.428620 ESP Fit Center 173 is at -4.831395 -2.626693 0.428620 ESP Fit Center 174 is at -4.609315 -2.980132 0.428620 ESP Fit Center 175 is at -4.314155 -3.275292 0.428620 ESP Fit Center 176 is at -3.960715 -3.497373 0.428620 ESP Fit Center 177 is at -3.566720 -3.635238 0.428620 ESP Fit Center 178 is at -3.151925 -3.681974 0.428620 ESP Fit Center 179 is at -2.737131 -3.635238 0.428620 ESP Fit Center 180 is at -2.343135 -3.497373 0.428620 ESP Fit Center 181 is at -4.567082 -0.477396 0.027823 ESP Fit Center 182 is at -4.822165 -0.812953 0.027823 ESP Fit Center 183 is at -4.999151 -1.195500 0.027823 ESP Fit Center 184 is at -5.089762 -1.607151 0.027823 ESP Fit Center 185 is at -5.089762 -2.028655 0.027823 ESP Fit Center 186 is at -4.999151 -2.440306 0.027823 ESP Fit Center 187 is at -4.822165 -2.822853 0.027823 ESP Fit Center 188 is at -4.567082 -3.158410 0.027823 ESP Fit Center 189 is at -4.245827 -3.431287 0.027823 ESP Fit Center 190 is at -3.873422 -3.628723 0.027823 ESP Fit Center 191 is at -3.467281 -3.741487 0.027823 ESP Fit Center 192 is at -3.046394 -3.764307 0.027823 ESP Fit Center 193 is at -2.630442 -3.696115 0.027823 ESP Fit Center 194 is at -2.238874 -3.540100 0.027823 ESP Fit Center 195 is at -4.567082 -0.477396 -0.381929 ESP Fit Center 196 is at -4.822165 -0.812953 -0.381929 ESP Fit Center 197 is at -4.999151 -1.195500 -0.381929 ESP Fit Center 198 is at -5.089762 -1.607151 -0.381929 ESP Fit Center 199 is at -5.089762 -2.028655 -0.381929 ESP Fit Center 200 is at -4.999151 -2.440306 -0.381929 ESP Fit Center 201 is at -4.822165 -2.822853 -0.381929 ESP Fit Center 202 is at -4.567082 -3.158410 -0.381929 ESP Fit Center 203 is at -4.245827 -3.431287 -0.381929 ESP Fit Center 204 is at -3.873422 -3.628723 -0.381929 ESP Fit Center 205 is at -3.467281 -3.741487 -0.381929 ESP Fit Center 206 is at -3.046394 -3.764307 -0.381929 ESP Fit Center 207 is at -2.630442 -3.696115 -0.381929 ESP Fit Center 208 is at -4.314155 -0.360514 -0.782726 ESP Fit Center 209 is at -4.609315 -0.655674 -0.782726 ESP Fit Center 210 is at -4.831395 -1.009113 -0.782726 ESP Fit Center 211 is at -4.969260 -1.403108 -0.782726 ESP Fit Center 212 is at -5.015996 -1.817903 -0.782726 ESP Fit Center 213 is at -4.969260 -2.232698 -0.782726 ESP Fit Center 214 is at -4.831395 -2.626693 -0.782726 ESP Fit Center 215 is at -4.609315 -2.980132 -0.782726 ESP Fit Center 216 is at -4.314155 -3.275292 -0.782726 ESP Fit Center 217 is at -3.960715 -3.497373 -0.782726 ESP Fit Center 218 is at -3.566720 -3.635238 -0.782726 ESP Fit Center 219 is at -3.151925 -3.681974 -0.782726 ESP Fit Center 220 is at -2.737131 -3.635238 -0.782726 ESP Fit Center 221 is at -2.343135 -3.497373 -0.782726 ESP Fit Center 222 is at -3.874647 -0.282041 -1.157053 ESP Fit Center 223 is at -4.233895 -0.510026 -1.157053 ESP Fit Center 224 is at -4.525159 -0.820191 -1.157053 ESP Fit Center 225 is at -4.730137 -1.193045 -1.157053 ESP Fit Center 226 is at -4.835951 -1.605161 -1.157053 ESP Fit Center 227 is at -4.835951 -2.030645 -1.157053 ESP Fit Center 228 is at -4.730137 -2.442761 -1.157053 ESP Fit Center 229 is at -4.525159 -2.815616 -1.157053 ESP Fit Center 230 is at -4.233895 -3.125780 -1.157053 ESP Fit Center 231 is at -3.874647 -3.353765 -1.157053 ESP Fit Center 232 is at -3.469988 -3.485247 -1.157053 ESP Fit Center 233 is at -3.045344 -3.511963 -1.157053 ESP Fit Center 234 is at -2.627397 -3.432236 -1.157053 ESP Fit Center 235 is at 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4.028484 -1.166536 ESP Fit Center 571 is at -0.387372 4.252082 -1.166536 ESP Fit Center 572 is at -0.784059 4.390889 -1.166536 ESP Fit Center 573 is at -1.201688 4.437945 -1.166536 ESP Fit Center 574 is at -1.619318 4.390889 -1.166536 ESP Fit Center 575 is at -2.016005 4.252082 -1.166536 ESP Fit Center 576 is at -2.371860 4.028484 -1.166536 ESP Fit Center 577 is at -2.669037 3.731307 -1.166536 ESP Fit Center 578 is at -2.892635 3.375453 -1.166536 ESP Fit Center 579 is at -3.031442 2.978765 -1.166536 ESP Fit Center 580 is at -3.078497 2.561136 -1.166536 ESP Fit Center 581 is at -3.031442 2.143506 -1.166536 ESP Fit Center 582 is at -2.892635 1.746819 -1.166536 ESP Fit Center 583 is at 0.143877 3.379392 -1.468516 ESP Fit Center 584 is at -0.126784 3.712078 -1.468516 ESP Fit Center 585 is at -0.477164 3.959404 -1.468516 ESP Fit Center 586 is at -0.881280 4.103026 -1.468516 ESP Fit Center 587 is at -1.309159 4.132294 -1.468516 ESP Fit Center 588 is at -1.729067 4.045036 -1.468516 ESP Fit 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1.773721 -1.713469 ESP Fit Center 608 is at -0.363739 2.561136 -1.893954 ESP Fit Center 609 is at -0.476003 2.980110 -1.893954 ESP Fit Center 610 is at -0.782714 3.286821 -1.893954 ESP Fit Center 611 is at -1.201688 3.399085 -1.893954 ESP Fit Center 612 is at -1.620663 3.286821 -1.893954 ESP Fit Center 613 is at -1.927374 2.980110 -1.893954 ESP Fit Center 614 is at -2.039638 2.561136 -1.893954 ESP Fit Center 615 is at -1.927374 2.142161 -1.893954 ESP Fit Center 616 is at -1.620663 1.835450 -1.893954 ESP Fit Center 617 is at -1.201688 1.723186 -1.893954 ESP Fit Center 618 is at -0.782714 1.835450 -1.893954 ESP Fit Center 619 is at -0.476003 2.142161 -1.893954 ESP Fit Center 620 is at -0.776250 2.561136 -2.004486 ESP Fit Center 621 is at -0.988969 2.929576 -2.004486 ESP Fit Center 622 is at -1.414407 2.929576 -2.004486 ESP Fit Center 623 is at -1.627126 2.561136 -2.004486 ESP Fit Center 624 is at -1.414407 2.192696 -2.004486 ESP Fit Center 625 is at -0.988969 2.192696 -2.004486 ESP Fit Center 626 is at -1.201688 2.561136 -2.041707 ESP Fit Center 627 is at 0.234112 0.320582 1.970828 ESP Fit Center 628 is at 0.643801 0.320582 1.930478 ESP Fit Center 629 is at 0.029267 -0.034220 1.930478 ESP Fit Center 630 is at 0.438956 -0.034220 1.930478 ESP Fit Center 631 is at -0.167706 -0.375387 1.810976 ESP Fit Center 632 is at 0.234112 -0.483054 1.810976 ESP Fit Center 633 is at 0.635929 -0.375387 1.810976 ESP Fit Center 634 is at 0.930080 -0.081236 1.810976 ESP Fit Center 635 is at -0.085170 1.442741 -1.875258 ESP Fit Center 636 is at -0.912721 0.106202 -1.875258 ESP Fit Center 637 is at -0.167706 1.016550 -2.069319 ESP Fit Center 638 is at -0.461857 0.722399 -2.069319 ESP Fit Center 639 is at -0.569524 0.320582 -2.069319 ESP Fit Center 640 is at -0.461857 -0.081236 -2.069319 ESP Fit Center 641 is at -0.175578 0.320582 -2.188821 ESP Fit Center 642 is at 0.029267 -0.034220 -2.188821 ESP Fit Center 643 is at 0.316250 -1.077996 1.847693 ESP Fit Center 644 is at 0.521095 -0.723195 1.807342 ESP Fit Center 645 is at 0.111405 -0.723195 1.807342 ESP Fit Center 646 is at -0.093440 -1.077996 1.807342 ESP Fit Center 647 is at 0.111405 -1.432798 1.807342 ESP Fit Center 648 is at -0.379718 -0.676179 1.687840 ESP Fit Center 649 is at -0.487385 -1.077996 1.687840 ESP Fit Center 650 is at -0.085567 -1.773965 1.687840 ESP Fit Center 651 is at -0.675696 -0.463809 -1.998393 ESP Fit Center 652 is at 1.119885 -1.077996 -2.192454 ESP Fit Center 653 is at 0.316250 -0.274361 -2.192454 ESP Fit Center 654 is at -0.085567 -0.382028 -2.192454 ESP Fit Center 655 is at -0.379718 -0.676179 -2.192454 ESP Fit Center 656 is at 0.316250 -1.881632 -2.192454 ESP Fit Center 657 is at 0.718068 -1.773965 -2.192454 ESP Fit Center 658 is at 0.725940 -1.077996 -2.311956 ESP Fit Center 659 is at 0.521095 -0.723195 -2.311956 ESP Fit Center 660 is at 0.111405 -0.723195 -2.311956 ESP Fit Center 661 is at -0.093440 -1.077996 -2.311956 ESP Fit Center 662 is at 0.111405 -1.432798 -2.311956 ESP Fit Center 663 is at 0.521095 -1.432798 -2.311956 ESP Fit Center 664 is at 0.316250 -1.077996 -2.352307 ESP Fit Center 665 is at -0.789604 -1.827446 1.802940 ESP Fit Center 666 is at -0.379914 -1.827446 1.762589 ESP Fit Center 667 is at -0.584759 -1.472645 1.762589 ESP Fit Center 668 is at -0.994449 -1.472645 1.762589 ESP Fit Center 669 is at -1.199293 -1.827446 1.762589 ESP Fit Center 670 is at -0.994449 -2.182248 1.762589 ESP Fit Center 671 is at -0.584759 -2.182248 1.762589 ESP Fit Center 672 is at -0.789604 -1.023811 1.643087 ESP Fit Center 673 is at -1.485572 -2.229264 1.643087 ESP Fit Center 674 is at -1.191421 -2.523415 1.643087 ESP Fit Center 675 is at -0.789604 -2.631082 1.643087 ESP Fit Center 676 is at -0.387786 -2.523415 1.643087 ESP Fit Center 677 is at -1.492696 -2.758491 1.449026 ESP Fit Center 678 is at -1.108886 -2.949606 1.449026 ESP Fit Center 679 is at -0.681954 -2.989167 1.449026 ESP Fit Center 680 is at -1.762022 -2.949677 1.187864 ESP Fit Center 681 is at -1.406464 -3.178181 1.187864 ESP Fit Center 682 is at -1.781494 -3.264447 0.869638 ESP Fit Center 683 is at -2.096568 -2.985316 -1.463757 ESP Fit Center 684 is at -1.000930 -0.357637 -1.781984 ESP Fit Center 685 is at -2.038802 -2.630257 -1.781984 ESP Fit Center 686 is at -1.762022 -2.949677 -1.781984 ESP Fit Center 687 is at -1.108886 -0.705287 -2.043146 ESP Fit Center 688 is at -1.781550 -2.441634 -2.043146 ESP Fit Center 689 is at -1.492696 -2.758491 -2.043146 ESP Fit Center 690 is at -1.108886 -2.949606 -2.043146 ESP Fit Center 691 is at -0.269562 -2.871831 -2.043146 ESP Fit Center 692 is at 0.072596 -2.613446 -2.043146 ESP Fit Center 693 is at 0.298309 -2.248906 -2.043146 ESP Fit Center 694 is at 0.014031 -1.827446 -2.237207 ESP Fit Center 695 is at -0.387786 -1.131478 -2.237207 ESP Fit Center 696 is at -0.789604 -1.023811 -2.237207 ESP Fit Center 697 is at -1.191421 -1.131478 -2.237207 ESP Fit Center 698 is at -1.485572 -1.425629 -2.237207 ESP Fit Center 699 is at -1.593239 -1.827446 -2.237207 ESP Fit Center 700 is at -1.485572 -2.229264 -2.237207 ESP Fit Center 701 is at -1.191421 -2.523415 -2.237207 ESP Fit Center 702 is at -0.789604 -2.631082 -2.237207 ESP Fit Center 703 is at -0.387786 -2.523415 -2.237207 ESP Fit Center 704 is at -0.093635 -2.229264 -2.237207 ESP Fit Center 705 is at -0.379914 -1.827446 -2.356709 ESP Fit Center 706 is at -0.584759 -1.472645 -2.356709 ESP Fit Center 707 is at -0.994449 -1.472645 -2.356709 ESP Fit Center 708 is at -1.199293 -1.827446 -2.356709 ESP Fit Center 709 is at -0.994449 -2.182248 -2.356709 ESP Fit Center 710 is at -0.584759 -2.182248 -2.356709 ESP Fit Center 711 is at -0.789604 -1.827446 -2.397060 ESP Fit Center 712 is at 1.523596 3.244110 0.682754 ESP Fit Center 713 is at 1.103695 3.363582 0.682754 ESP Fit Center 714 is at 1.901215 3.318215 0.334815 ESP Fit Center 715 is at 1.525629 3.535060 0.334815 ESP Fit Center 716 is at 1.102812 3.631565 0.334815 ESP Fit Center 717 is at 2.141547 3.328172 -0.070369 ESP Fit Center 718 is at 1.805464 3.586058 -0.070369 ESP Fit Center 719 is at 1.414086 3.748172 -0.070369 ESP Fit Center 720 is at 0.994086 3.803466 -0.070369 ESP Fit Center 721 is at 2.218753 3.330750 -0.505185 ESP Fit Center 722 is at 1.894275 3.599181 -0.505185 ESP Fit Center 723 is at 1.513234 3.778485 -0.505185 ESP Fit Center 724 is at 1.099574 3.857395 -0.505185 ESP Fit Center 725 is at 2.399433 2.992088 -0.940001 ESP Fit Center 726 is at 2.141547 3.328172 -0.940001 ESP Fit Center 727 is at 1.805464 3.586058 -0.940001 ESP Fit Center 728 is at 1.414086 3.748172 -0.940001 ESP Fit Center 729 is at 0.994086 3.803466 -0.940001 ESP Fit Center 730 is at 0.574086 3.748172 -0.940001 ESP Fit Center 731 is at 2.196199 3.000298 -1.345185 ESP Fit Center 732 is at 1.901215 3.318215 -1.345185 ESP Fit Center 733 is at 1.525629 3.535060 -1.345185 ESP Fit Center 734 is at 1.102812 3.631565 -1.345185 ESP Fit Center 735 is at 0.670335 3.599155 -1.345185 ESP Fit Center 736 is at 0.266625 3.440710 -1.345185 ESP Fit Center 737 is at 1.871984 2.981020 -1.693125 ESP Fit Center 738 is at 1.523596 3.244110 -1.693125 ESP Fit Center 739 is at 1.103695 3.363582 -1.693125 ESP Fit Center 740 is at 0.668991 3.323301 -1.693125 ESP Fit Center 741 is at 0.278193 3.128707 -1.693125 ESP Fit Center 742 is at 1.414086 2.908172 -1.960108 ESP Fit Center 743 is at 0.994086 3.020710 -1.960108 ESP Fit Center 744 is at 0.574086 2.908172 -1.960108 ESP Fit Center 745 is at 0.266625 2.600710 -1.960108 ESP Fit Center 746 is at 0.154086 2.180710 -1.960108 ESP Fit Center 747 is at 0.776678 2.557272 -2.127941 ESP Fit Center 748 is at 3.966621 2.024091 2.030951 ESP Fit Center 749 is at 3.854082 2.444091 2.030951 ESP Fit Center 750 is at 3.546621 2.751552 2.030951 ESP Fit Center 751 is at 3.126621 2.864091 2.030951 ESP Fit Center 752 is at 4.314560 2.024091 1.763968 ESP Fit Center 753 is at 4.234341 2.453224 1.763968 ESP Fit Center 754 is at 4.004518 2.824400 1.763968 ESP Fit Center 755 is at 3.656131 3.087490 1.763968 ESP Fit Center 756 is at 3.236230 3.206963 1.763968 ESP Fit Center 757 is at 2.801526 3.166681 1.763968 ESP Fit Center 758 is at 4.234341 1.594957 1.763968 ESP Fit Center 759 is at 4.581543 2.024091 1.416029 ESP Fit Center 760 is at 4.516905 2.452937 1.416029 ESP Fit Center 761 is at 4.328734 2.843678 1.416029 ESP Fit Center 762 is at 4.033750 3.161595 1.416029 ESP Fit Center 763 is at 3.658164 3.378440 1.416029 ESP Fit Center 764 is at 3.235347 3.474945 1.416029 ESP Fit Center 765 is at 2.802870 3.442535 1.416029 ESP Fit Center 766 is at 2.399159 3.284091 1.416029 ESP Fit Center 767 is at 4.516905 1.595245 1.416029 ESP Fit Center 768 is at 4.749376 2.024091 1.010845 ESP Fit Center 769 is at 4.694082 2.444091 1.010845 ESP Fit Center 770 is at 4.531968 2.835468 1.010845 ESP Fit Center 771 is at 4.274082 3.171552 1.010845 ESP Fit Center 772 is at 3.937998 3.429438 1.010845 ESP Fit Center 773 is at 3.546621 3.591552 1.010845 ESP Fit Center 774 is at 3.126621 3.646846 1.010845 ESP Fit Center 775 is at 2.706621 3.591552 1.010845 ESP Fit Center 776 is at 2.315243 3.429438 1.010845 ESP Fit Center 777 is at 4.531968 1.212713 1.010845 ESP Fit Center 778 is at 4.694082 1.604091 1.010845 ESP Fit Center 779 is at 4.806621 2.024091 0.576029 ESP Fit Center 780 is at 4.753840 2.441890 0.576029 ESP Fit Center 781 is at 4.598816 2.833437 0.576029 ESP Fit Center 782 is at 4.351288 3.174130 0.576029 ESP Fit Center 783 is at 4.026810 3.442562 0.576029 ESP Fit Center 784 is at 3.645769 3.621866 0.576029 ESP Fit Center 785 is at 3.232109 3.700776 0.576029 ESP Fit Center 786 is at 2.811820 3.674333 0.576029 ESP Fit Center 787 is at 2.411311 3.544200 0.576029 ESP Fit Center 788 is at 4.598816 1.214744 0.576029 ESP Fit Center 789 is at 4.753840 1.606292 0.576029 ESP Fit Center 790 is at 4.749376 2.024091 0.141213 ESP Fit Center 791 is at 4.694082 2.444091 0.141213 ESP Fit Center 792 is at 4.531968 2.835468 0.141213 ESP Fit Center 793 is at 4.274082 3.171552 0.141213 ESP Fit Center 794 is at 3.937998 3.429438 0.141213 ESP Fit Center 795 is at 3.546621 3.591552 0.141213 ESP Fit Center 796 is at 3.126621 3.646846 0.141213 ESP Fit Center 797 is at 2.706621 3.591552 0.141213 ESP Fit Center 798 is at 2.315243 3.429438 0.141213 ESP Fit Center 799 is at 4.531968 1.212713 0.141213 ESP Fit Center 800 is at 4.694082 1.604091 0.141213 ESP Fit Center 801 is at 4.581543 2.024091 -0.263971 ESP Fit Center 802 is at 4.516905 2.452937 -0.263971 ESP Fit Center 803 is at 4.328734 2.843678 -0.263971 ESP Fit Center 804 is at 4.033750 3.161595 -0.263971 ESP Fit Center 805 is at 3.658164 3.378440 -0.263971 ESP Fit Center 806 is at 3.235347 3.474945 -0.263971 ESP Fit Center 807 is at 2.802870 3.442535 -0.263971 ESP Fit Center 808 is at 2.399159 3.284091 -0.263971 ESP Fit Center 809 is at 4.328734 1.204504 -0.263971 ESP Fit Center 810 is at 4.516905 1.595245 -0.263971 ESP Fit Center 811 is at 4.314560 2.024091 -0.611911 ESP Fit Center 812 is at 4.234341 2.453224 -0.611911 ESP Fit Center 813 is at 4.004518 2.824400 -0.611911 ESP Fit Center 814 is at 3.656131 3.087490 -0.611911 ESP Fit Center 815 is at 3.236230 3.206963 -0.611911 ESP Fit Center 816 is at 2.801526 3.166681 -0.611911 ESP Fit Center 817 is at 4.004518 1.223781 -0.611911 ESP Fit Center 818 is at 4.234341 1.594957 -0.611911 ESP Fit Center 819 is at 3.966621 2.024091 -0.878894 ESP Fit Center 820 is at 3.854082 2.444091 -0.878894 ESP Fit Center 821 is at 3.546621 2.751552 -0.878894 ESP Fit Center 822 is at 3.126621 2.864091 -0.878894 ESP Fit Center 823 is at 3.854082 1.604091 -0.878894 ESP Fit Center 824 is at 3.561437 2.024091 -1.046727 ESP Fit Center 825 is at 3.344029 2.400652 -1.046727 ESP Fit Center 826 is at 1.856985 1.538268 3.372954 ESP Fit Center 827 is at 2.291801 1.538268 3.315709 ESP Fit Center 828 is at 2.074393 1.914829 3.315709 ESP Fit Center 829 is at 1.639577 1.914829 3.315709 ESP Fit Center 830 is at 1.422169 1.538268 3.315709 ESP Fit Center 831 is at 1.639577 1.161706 3.315709 ESP Fit Center 832 is at 2.074393 1.161706 3.315709 ESP Fit Center 833 is at 2.696985 1.538268 3.147877 ESP Fit Center 834 is at 2.584446 1.958268 3.147877 ESP Fit Center 835 is at 2.276985 2.265729 3.147877 ESP Fit Center 836 is at 1.856985 2.378268 3.147877 ESP Fit Center 837 is at 1.436985 2.265729 3.147877 ESP Fit Center 838 is at 1.129524 1.958268 3.147877 ESP Fit Center 839 is at 1.016985 1.538268 3.147877 ESP Fit Center 840 is at 1.129524 1.118268 3.147877 ESP Fit Center 841 is at 1.436985 0.810806 3.147877 ESP Fit Center 842 is at 1.856985 0.698268 3.147877 ESP Fit Center 843 is at 2.276985 0.810806 3.147877 ESP Fit Center 844 is at 2.584446 1.118268 3.147877 ESP Fit Center 845 is at 3.044924 1.538268 2.880893 ESP Fit Center 846 is at 2.964705 1.967401 2.880893 ESP Fit Center 847 is at 2.734883 2.338577 2.880893 ESP Fit Center 848 is at 2.386495 2.601667 2.880893 ESP Fit Center 849 is at 1.966594 2.721140 2.880893 ESP Fit Center 850 is at 1.531890 2.680858 2.880893 ESP Fit Center 851 is at 1.141092 2.486264 2.880893 ESP Fit Center 852 is at 0.846979 2.163637 2.880893 ESP Fit Center 853 is at 0.689272 1.756551 2.880893 ESP Fit Center 854 is at 0.689272 1.319984 2.880893 ESP Fit Center 855 is at 0.846979 0.912898 2.880893 ESP Fit Center 856 is at 1.141092 0.590272 2.880893 ESP Fit Center 857 is at 1.531890 0.395677 2.880893 ESP Fit Center 858 is at 1.966594 0.355396 2.880893 ESP Fit Center 859 is at 2.386495 0.474868 2.880893 ESP Fit Center 860 is at 2.734883 0.737958 2.880893 ESP Fit Center 861 is at 2.964705 1.109134 2.880893 ESP Fit Center 862 is at 3.059098 2.357855 2.532954 ESP Fit Center 863 is at 2.764114 2.675772 2.532954 ESP Fit Center 864 is at 2.388528 2.892617 2.532954 ESP Fit Center 865 is at 1.965711 2.989122 2.532954 ESP Fit Center 866 is at 1.533234 2.956712 2.532954 ESP Fit Center 867 is at 1.129524 2.798268 2.532954 ESP Fit Center 868 is at 0.790451 2.527866 2.532954 ESP Fit Center 869 is at 0.546145 2.169535 2.532954 ESP Fit Center 870 is at 0.418313 1.755113 2.532954 ESP Fit Center 871 is at 0.418313 1.321423 2.532954 ESP Fit Center 872 is at 0.546145 0.907000 2.532954 ESP Fit Center 873 is at 0.790451 0.548669 2.532954 ESP Fit Center 874 is at 1.129524 0.278268 2.532954 ESP Fit Center 875 is at 1.533234 0.119823 2.532954 ESP Fit Center 876 is at 1.965711 0.087413 2.532954 ESP Fit Center 877 is at 2.668363 2.943615 2.127770 ESP Fit Center 878 is at 2.276985 3.105729 2.127770 ESP Fit Center 879 is at 1.856985 3.161023 2.127770 ESP Fit Center 880 is at 1.436985 3.105729 2.127770 ESP Fit Center 881 is at 1.045607 2.943615 2.127770 ESP Fit Center 882 is at 0.709524 2.685729 2.127770 ESP Fit Center 883 is at 0.234230 1.538268 2.127770 ESP Fit Center 884 is at 0.289524 1.118268 2.127770 ESP Fit Center 885 is at 0.451638 0.726890 2.127770 ESP Fit Center 886 is at 0.709524 0.390806 2.127770 ESP Fit Center 887 is at 1.045607 0.132920 2.127770 ESP Fit Center 888 is at 1.962473 3.214953 1.692954 ESP Fit Center 889 is at 1.542184 3.188510 1.692954 ESP Fit Center 890 is at 1.141676 3.058377 1.692954 ESP Fit Center 891 is at 1.436985 3.105729 1.258138 ESP Fit Center 892 is at -3.146149 0.949452 1.879765 ESP Fit Center 893 is at -3.363557 0.572890 1.879765 ESP Fit Center 894 is at -3.348741 1.300351 1.711933 ESP Fit Center 895 is at -3.656202 0.992890 1.711933 ESP Fit Center 896 is at -3.768741 0.572890 1.711933 ESP Fit Center 897 is at -3.656202 0.152890 1.711933 ESP Fit Center 898 is at -3.644634 1.520886 1.444949 ESP Fit Center 899 is at -3.938747 1.198259 1.444949 ESP Fit Center 900 is at -4.096453 0.791173 1.444949 ESP Fit Center 901 is at -4.096453 0.354607 1.444949 ESP Fit Center 902 is at -3.938747 -0.052480 1.444949 ESP Fit Center 903 is at -3.644634 -0.375106 1.444949 ESP Fit Center 904 is at -3.656202 1.832890 1.097010 ESP Fit Center 905 is at -3.995274 1.562489 1.097010 ESP Fit Center 906 is at -4.239581 1.204157 1.097010 ESP Fit Center 907 is at -4.367413 0.789735 1.097010 ESP Fit Center 908 is at -4.367413 0.356045 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is at -1.054400 -4.035054 0.792241 ESP Fit Center 965 is at -0.619696 -4.075335 0.792241 ESP Fit Center 966 is at -0.199795 -3.955863 0.792241 ESP Fit Center 967 is at -2.040145 -3.523731 0.444302 ESP Fit Center 968 is at -1.795839 -3.882062 0.444302 ESP Fit Center 969 is at -1.456766 -4.152463 0.444302 ESP Fit Center 970 is at -1.053056 -4.310908 0.444302 ESP Fit Center 971 is at -0.620579 -4.343318 0.444302 ESP Fit Center 972 is at -0.197762 -4.246813 0.444302 ESP Fit Center 973 is at 0.177824 -4.029968 0.444302 ESP Fit Center 974 is at -2.134652 -3.703841 0.039118 ESP Fit Center 975 is at -1.876766 -4.039925 0.039118 ESP Fit Center 976 is at -1.540683 -4.297811 0.039118 ESP Fit Center 977 is at -1.149305 -4.459925 0.039118 ESP Fit Center 978 is at -0.729305 -4.515219 0.039118 ESP Fit Center 979 is at -0.309305 -4.459925 0.039118 ESP Fit Center 980 is at 0.082073 -4.297811 0.039118 ESP Fit Center 981 is at 0.418156 -4.039925 0.039118 ESP Fit Center 982 is at -2.088454 -3.879943 -0.395698 ESP Fit Center 983 is at -1.800177 -4.186926 -0.395698 ESP Fit Center 984 is at -1.444614 -4.412573 -0.395698 ESP Fit Center 985 is at -1.044106 -4.542706 -0.395698 ESP Fit Center 986 is at -0.623817 -4.569148 -0.395698 ESP Fit Center 987 is at -0.210156 -4.490238 -0.395698 ESP Fit Center 988 is at 0.170884 -4.310934 -0.395698 ESP Fit Center 989 is at 0.495362 -4.042503 -0.395698 ESP Fit Center 990 is at -2.134652 -3.703841 -0.830514 ESP Fit Center 991 is at -1.876766 -4.039925 -0.830514 ESP Fit Center 992 is at -1.540683 -4.297811 -0.830514 ESP Fit Center 993 is at -1.149305 -4.459925 -0.830514 ESP Fit Center 994 is at -0.729305 -4.515219 -0.830514 ESP Fit Center 995 is at -0.309305 -4.459925 -0.830514 ESP Fit Center 996 is at 0.082073 -4.297811 -0.830514 ESP Fit Center 997 is at 0.418156 -4.039925 -0.830514 ESP Fit Center 998 is at -2.040145 -3.523731 -1.235698 ESP Fit Center 999 is at -1.795839 -3.882062 -1.235698 ESP Fit Center 1000 is at -1.456766 -4.152463 -1.235698 ESP Fit Center 1001 is at -1.053056 -4.310908 -1.235698 ESP Fit Center 1002 is at -0.620579 -4.343318 -1.235698 ESP Fit Center 1003 is at -0.197762 -4.246813 -1.235698 ESP Fit Center 1004 is at 0.177824 -4.029968 -1.235698 ESP Fit Center 1005 is at -1.897018 -3.110747 -1.583638 ESP Fit Center 1006 is at -1.739311 -3.517833 -1.583638 ESP Fit Center 1007 is at -1.445198 -3.840460 -1.583638 ESP Fit Center 1008 is at -1.054400 -4.035054 -1.583638 ESP Fit Center 1009 is at -0.619696 -4.075335 -1.583638 ESP Fit Center 1010 is at -0.199795 -3.955863 -1.583638 ESP Fit Center 1011 is at 0.148593 -3.692773 -1.583638 ESP Fit Center 1012 is at -1.456766 -3.312463 -1.850621 ESP Fit Center 1013 is at -1.149305 -3.619925 -1.850621 ESP Fit Center 1014 is at -0.729305 -3.732463 -1.850621 ESP Fit Center 1015 is at -0.309305 -3.619925 -1.850621 ESP Fit Center 1016 is at -0.001844 -3.312463 -1.850621 ESP Fit Center 1017 is at -0.946713 -3.269025 -2.018454 ESP Fit Center 1018 is at -0.511897 -3.269025 -2.018454 ESP Fit Center 1019 is at 2.905312 0.328705 2.630687 ESP Fit Center 1020 is at 3.340128 0.328705 2.573443 ESP Fit Center 1021 is at 2.687904 -0.047857 2.573443 ESP Fit Center 1022 is at 3.122720 -0.047857 2.573443 ESP Fit Center 1023 is at 3.745312 0.328705 2.405610 ESP Fit Center 1024 is at 3.632773 0.748705 2.405610 ESP Fit Center 1025 is at 3.325312 -0.398756 2.405610 ESP Fit Center 1026 is at 3.632773 -0.091295 2.405610 ESP Fit Center 1027 is at 4.093251 0.328705 2.138627 ESP Fit Center 1028 is at 4.013032 0.757838 2.138627 ESP Fit Center 1029 is at 3.434822 -0.734695 2.138627 ESP Fit Center 1030 is at 3.783210 -0.471605 2.138627 ESP Fit Center 1031 is at 4.013032 -0.100428 2.138627 ESP Fit Center 1032 is at 4.360234 0.328705 1.790687 ESP Fit Center 1033 is at 4.295596 0.757551 1.790687 ESP Fit Center 1034 is at 3.812441 -0.808799 1.790687 ESP Fit Center 1035 is at 4.107425 -0.490882 1.790687 ESP Fit Center 1036 is at 4.295596 -0.100141 1.790687 ESP Fit Center 1037 is at 4.528067 0.328705 1.385503 ESP Fit Center 1038 is at 4.472773 0.748705 1.385503 ESP Fit Center 1039 is at 3.716689 -1.076642 1.385503 ESP Fit Center 1040 is at 4.052773 -0.818756 1.385503 ESP Fit Center 1041 is at 4.310659 -0.482673 1.385503 ESP Fit Center 1042 is at 4.472773 -0.091295 1.385503 ESP Fit Center 1043 is at 4.585312 0.328705 0.950687 ESP Fit Center 1044 is at 4.532531 0.746504 0.950687 ESP Fit Center 1045 is at 3.805501 -1.089766 0.950687 ESP Fit Center 1046 is at 4.129979 -0.821334 0.950687 ESP Fit Center 1047 is at 4.377507 -0.480641 0.950687 ESP Fit Center 1048 is at 4.532531 -0.089094 0.950687 ESP Fit Center 1049 is at 4.528067 0.328705 0.515871 ESP Fit Center 1050 is at 4.472773 0.748705 0.515871 ESP Fit Center 1051 is at 3.716689 -1.076642 0.515871 ESP Fit Center 1052 is at 4.052773 -0.818756 0.515871 ESP Fit Center 1053 is at 4.310659 -0.482673 0.515871 ESP Fit Center 1054 is at 4.472773 -0.091295 0.515871 ESP Fit Center 1055 is at 4.360234 0.328705 0.110687 ESP Fit Center 1056 is at 4.107425 -0.490882 0.110687 ESP Fit Center 1057 is at 4.295596 -0.100141 0.110687 ESP Fit Center 1058 is at 4.093251 0.328705 -0.237252 ESP Fit Center 1059 is at 4.013032 -0.100428 -0.237252 ESP Fit Center 1060 is at 2.115234 2.693725 -2.289396 ESP Fit Center 1061 is at 1.701574 2.772635 -2.289396 ESP Fit Center 1062 is at 1.281285 2.746193 -2.289396 ESP Fit Center 1063 is at 0.880777 2.616060 -2.289396 ESP Fit Center 1064 is at 0.525213 2.390413 -2.289396 ESP Fit Center 1065 is at 0.236937 2.083430 -2.289396 ESP Fit Center 1066 is at 0.034061 1.714400 -2.289396 ESP Fit Center 1067 is at -0.070667 1.306510 -2.289396 ESP Fit Center 1068 is at -0.070667 0.885391 -2.289396 ESP Fit Center 1069 is at 0.034061 0.477501 -2.289396 ESP Fit Center 1070 is at 0.236937 0.108471 -2.289396 ESP Fit Center 1071 is at 0.525213 -0.198512 -2.289396 ESP Fit Center 1072 is at 2.743547 2.243412 -2.724212 ESP Fit Center 1073 is at 2.407463 2.501298 -2.724212 ESP Fit Center 1074 is at 2.016086 2.663412 -2.724212 ESP Fit Center 1075 is at 1.596086 2.718706 -2.724212 ESP Fit Center 1076 is at 1.176086 2.663412 -2.724212 ESP Fit Center 1077 is at 0.784708 2.501298 -2.724212 ESP Fit Center 1078 is at 0.448624 2.243412 -2.724212 ESP Fit Center 1079 is at 0.190738 1.907328 -2.724212 ESP Fit Center 1080 is at 0.028624 1.515950 -2.724212 ESP Fit Center 1081 is at -0.026670 1.095950 -2.724212 ESP Fit Center 1082 is at 0.028624 0.675950 -2.724212 ESP Fit Center 1083 is at 0.190738 0.284573 -2.724212 ESP Fit Center 1084 is at 0.448624 -0.051511 -2.724212 ESP Fit Center 1085 is at 0.784708 -0.309397 -2.724212 ESP Fit Center 1086 is at 1.176086 -0.471511 -2.724212 ESP Fit Center 1087 is at 2.986370 1.524796 -3.129396 ESP Fit Center 1088 is at 2.798199 1.915538 -3.129396 ESP Fit Center 1089 is at 2.503215 2.233455 -3.129396 ESP Fit Center 1090 is at 2.127629 2.450300 -3.129396 ESP Fit Center 1091 is at 1.704812 2.546805 -3.129396 ESP Fit Center 1092 is at 1.272335 2.514395 -3.129396 ESP Fit Center 1093 is at 0.868624 2.355950 -3.129396 ESP Fit Center 1094 is at 0.529552 2.085549 -3.129396 ESP Fit Center 1095 is at 0.285246 1.727218 -3.129396 ESP Fit Center 1096 is at 0.157413 1.312795 -3.129396 ESP Fit Center 1097 is at 0.157413 0.879106 -3.129396 ESP Fit Center 1098 is at 0.285246 0.464683 -3.129396 ESP Fit Center 1099 is at 0.529552 0.106352 -3.129396 ESP Fit Center 1100 is at 0.868624 -0.164050 -3.129396 ESP Fit Center 1101 is at 1.272335 -0.322494 -3.129396 ESP Fit Center 1102 is at 1.704812 -0.354904 -3.129396 ESP Fit Center 1103 is at 2.784025 1.095950 -3.477335 ESP Fit Center 1104 is at 2.703806 1.525084 -3.477335 ESP Fit Center 1105 is at 2.473984 1.896260 -3.477335 ESP Fit Center 1106 is at 2.125596 2.159350 -3.477335 ESP Fit Center 1107 is at 1.705695 2.278822 -3.477335 ESP Fit Center 1108 is at 1.270991 2.238541 -3.477335 ESP Fit Center 1109 is at 0.880192 2.043947 -3.477335 ESP Fit Center 1110 is at 0.586079 1.721320 -3.477335 ESP Fit Center 1111 is at 0.428373 1.314234 -3.477335 ESP Fit Center 1112 is at 0.428373 0.877667 -3.477335 ESP Fit Center 1113 is at 0.586079 0.470581 -3.477335 ESP Fit Center 1114 is at 0.880192 0.147954 -3.477335 ESP Fit Center 1115 is at 1.270991 -0.046640 -3.477335 ESP Fit Center 1116 is at 1.705695 -0.086921 -3.477335 ESP Fit Center 1117 is at 2.125596 0.032551 -3.477335 ESP Fit Center 1118 is at 2.473984 0.295641 -3.477335 ESP Fit Center 1119 is at 2.703806 0.666817 -3.477335 ESP Fit Center 1120 is at 2.436086 1.095950 -3.744318 ESP Fit Center 1121 is at 2.323547 1.515950 -3.744318 ESP Fit Center 1122 is at 2.016086 1.823412 -3.744318 ESP Fit Center 1123 is at 1.596086 1.935950 -3.744318 ESP Fit Center 1124 is at 1.176086 1.823412 -3.744318 ESP Fit Center 1125 is at 0.868624 1.515950 -3.744318 ESP Fit Center 1126 is at 0.756086 1.095950 -3.744318 ESP Fit Center 1127 is at 0.868624 0.675950 -3.744318 ESP Fit Center 1128 is at 1.176086 0.368489 -3.744318 ESP Fit Center 1129 is at 1.596086 0.255950 -3.744318 ESP Fit Center 1130 is at 2.016086 0.368489 -3.744318 ESP Fit Center 1131 is at 2.323547 0.675950 -3.744318 ESP Fit Center 1132 is at 2.030902 1.095950 -3.912151 ESP Fit Center 1133 is at 1.813494 1.472512 -3.912151 ESP Fit Center 1134 is at 1.378678 1.472512 -3.912151 ESP Fit Center 1135 is at 1.161270 1.095950 -3.912151 ESP Fit Center 1136 is at 1.378678 0.719389 -3.912151 ESP Fit Center 1137 is at 1.813494 0.719389 -3.912151 ESP Fit Center 1138 is at 1.596086 1.095950 -3.969396 ESP Fit Center 1139 is at 3.638146 -1.161249 0.579997 ESP Fit Center 1140 is at 3.905129 -1.161249 0.232057 ESP Fit Center 1141 is at 3.840491 -1.590095 0.232057 ESP Fit Center 1142 is at 4.072962 -1.161249 -0.173127 ESP Fit Center 1143 is at 4.017668 -0.741249 -0.173127 ESP Fit Center 1144 is at 3.855554 -1.972627 -0.173127 ESP Fit Center 1145 is at 4.017668 -1.581249 -0.173127 ESP Fit Center 1146 is at 4.130207 -1.161249 -0.607943 ESP Fit Center 1147 is at 4.077426 -0.743450 -0.607943 ESP Fit Center 1148 is at 3.922402 -0.351903 -0.607943 ESP Fit Center 1149 is at 3.674874 -0.011210 -0.607943 ESP Fit Center 1150 is at 3.674874 -2.311288 -0.607943 ESP Fit Center 1151 is at 3.922402 -1.970595 -0.607943 ESP Fit Center 1152 is at 4.077426 -1.579048 -0.607943 ESP Fit Center 1153 is at 4.072962 -1.161249 -1.042759 ESP Fit Center 1154 is at 4.017668 -0.741249 -1.042759 ESP Fit Center 1155 is at 3.855554 -0.349872 -1.042759 ESP Fit Center 1156 is at 3.597668 -2.308711 -1.042759 ESP Fit Center 1157 is at 3.855554 -1.972627 -1.042759 ESP Fit Center 1158 is at 4.017668 -1.581249 -1.042759 ESP Fit Center 1159 is at 3.905129 -1.161249 -1.447943 ESP Fit Center 1160 is at 3.840491 -0.732403 -1.447943 ESP Fit Center 1161 is at 3.357336 -2.298754 -1.447943 ESP Fit Center 1162 is at 3.652320 -1.980836 -1.447943 ESP Fit Center 1163 is at 3.840491 -1.590095 -1.447943 ESP Fit Center 1164 is at 3.638146 -1.161249 -1.795882 ESP Fit Center 1165 is at 3.557927 -0.732116 -1.795882 ESP Fit Center 1166 is at 3.328104 -1.961559 -1.795882 ESP Fit Center 1167 is at 3.557927 -1.590383 -1.795882 ESP Fit Center 1168 is at 3.290207 -1.161249 -2.062865 ESP Fit Center 1169 is at 3.177668 -0.741249 -2.062865 ESP Fit Center 1170 is at 2.870207 -1.888711 -2.062865 ESP Fit Center 1171 is at 3.177668 -1.581249 -2.062865 ESP Fit Center 1172 is at 2.885023 -1.161249 -2.230698 ESP Fit Center 1173 is at 2.015391 -1.161249 -2.230698 ESP Fit Center 1174 is at 2.667615 -1.537811 -2.230698 ESP Fit Center 1175 is at 2.450207 -1.161249 -2.287943 ESP Fit Center 1176 is at 0.848655 -3.867490 -0.121924 ESP Fit Center 1177 is at 1.252365 -4.025934 -0.121924 ESP Fit Center 1178 is at 1.684842 -4.058344 -0.121924 ESP Fit Center 1179 is at 0.764738 -4.012837 -0.527108 ESP Fit Center 1180 is at 1.156116 -4.174951 -0.527108 ESP Fit Center 1181 is at 1.576116 -4.230245 -0.527108 ESP Fit Center 1182 is at 1.996116 -4.174951 -0.527108 ESP Fit Center 1183 is at 2.387494 -4.012837 -0.527108 ESP Fit Center 1184 is at 2.723577 -3.754951 -0.527108 ESP Fit Center 1185 is at 2.981463 -3.418867 -0.527108 ESP Fit Center 1186 is at 0.505244 -3.901952 -0.961924 ESP Fit Center 1187 is at 0.860807 -4.127599 -0.961924 ESP Fit Center 1188 is at 1.261315 -4.257732 -0.961924 ESP Fit Center 1189 is at 1.681604 -4.284175 -0.961924 ESP Fit Center 1190 is at 2.095264 -4.205265 -0.961924 ESP Fit Center 1191 is at 2.476305 -4.025961 -0.961924 ESP Fit Center 1192 is at 2.800783 -3.757529 -0.961924 ESP Fit Center 1193 is at 3.048311 -3.416836 -0.961924 ESP Fit Center 1194 is at 3.203336 -3.025289 -0.961924 ESP Fit Center 1195 is at 0.428655 -3.754951 -1.396740 ESP Fit Center 1196 is at 0.764738 -4.012837 -1.396740 ESP Fit Center 1197 is at 1.156116 -4.174951 -1.396740 ESP Fit Center 1198 is at 1.576116 -4.230245 -1.396740 ESP Fit Center 1199 is at 1.996116 -4.174951 -1.396740 ESP Fit Center 1200 is at 2.387494 -4.012837 -1.396740 ESP Fit Center 1201 is at 2.723577 -3.754951 -1.396740 ESP Fit Center 1202 is at 2.981463 -3.418867 -1.396740 ESP Fit Center 1203 is at 3.143577 -3.027490 -1.396740 ESP Fit Center 1204 is at 3.031039 -2.607490 -1.801924 ESP Fit Center 1205 is at 0.265276 -3.238757 -1.801924 ESP Fit Center 1206 is at 0.509582 -3.597088 -1.801924 ESP Fit Center 1207 is at 0.848655 -3.867490 -1.801924 ESP Fit Center 1208 is at 1.252365 -4.025934 -1.801924 ESP Fit Center 1209 is at 1.684842 -4.058344 -1.801924 ESP Fit Center 1210 is at 2.107659 -3.961839 -1.801924 ESP Fit Center 1211 is at 2.483245 -3.744994 -1.801924 ESP Fit Center 1212 is at 2.778229 -3.427077 -1.801924 ESP Fit Center 1213 is at 2.966400 -3.036336 -1.801924 ESP Fit Center 1214 is at 2.764055 -2.607490 -2.149863 ESP Fit Center 1215 is at 2.683836 -2.178356 -2.149863 ESP Fit Center 1216 is at 0.566109 -1.982120 -2.149863 ESP Fit Center 1217 is at 0.408403 -2.389206 -2.149863 ESP Fit Center 1218 is at 0.408403 -2.825773 -2.149863 ESP Fit Center 1219 is at 0.566109 -3.232859 -2.149863 ESP Fit Center 1220 is at 0.860222 -3.555486 -2.149863 ESP Fit Center 1221 is at 1.251021 -3.750080 -2.149863 ESP Fit Center 1222 is at 1.685725 -3.790362 -2.149863 ESP Fit Center 1223 is at 2.105626 -3.670889 -2.149863 ESP Fit Center 1224 is at 2.454014 -3.407799 -2.149863 ESP Fit Center 1225 is at 2.683836 -3.036623 -2.149863 ESP Fit Center 1226 is at 2.416116 -2.607490 -2.416847 ESP Fit Center 1227 is at 2.303577 -2.187490 -2.416847 ESP Fit Center 1228 is at 1.996116 -1.880028 -2.416847 ESP Fit Center 1229 is at 1.576116 -1.767490 -2.416847 ESP Fit Center 1230 is at 1.156116 -1.880028 -2.416847 ESP Fit Center 1231 is at 0.848655 -2.187490 -2.416847 ESP Fit Center 1232 is at 0.736116 -2.607490 -2.416847 ESP Fit Center 1233 is at 0.848655 -3.027490 -2.416847 ESP Fit Center 1234 is at 1.156116 -3.334951 -2.416847 ESP Fit Center 1235 is at 1.576116 -3.447490 -2.416847 ESP Fit Center 1236 is at 1.996116 -3.334951 -2.416847 ESP Fit Center 1237 is at 2.303577 -3.027490 -2.416847 ESP Fit Center 1238 is at 2.010932 -2.607490 -2.584679 ESP Fit Center 1239 is at 1.793524 -2.230928 -2.584679 ESP Fit Center 1240 is at 1.358708 -2.230928 -2.584679 ESP Fit Center 1241 is at 1.141300 -2.607490 -2.584679 ESP Fit Center 1242 is at 1.358708 -2.984051 -2.584679 ESP Fit Center 1243 is at 1.793524 -2.984051 -2.584679 ESP Fit Center 1244 is at 1.576116 -2.607490 -2.641924 ESP Fit Center 1245 is at 1.787553 -2.723959 3.190724 ESP Fit Center 1246 is at 2.197242 -2.723959 3.190724 ESP Fit Center 1247 is at 1.992398 -3.172793 3.071222 ESP Fit Center 1248 is at 2.394215 -3.065126 3.071222 ESP Fit Center 1249 is at 2.688366 -2.770975 3.071222 ESP Fit Center 1250 is at 3.159095 -2.369158 2.877161 ESP Fit Center 1251 is at 2.100047 -3.530878 2.877161 ESP Fit Center 1252 is at 2.512439 -3.413543 2.877161 ESP Fit Center 1253 is at 2.854597 -3.155157 2.877161 ESP Fit Center 1254 is at 3.080311 -2.790618 2.877161 ESP Fit Center 1255 is at 2.609257 -3.719892 2.615999 ESP Fit Center 1256 is at 0.297049 -1.951292 2.297772 ESP Fit Center 1257 is at 2.611568 -4.001777 2.297772 ESP Fit Center 1258 is at 3.753227 -1.554511 1.934710 ESP Fit Center 1259 is at 0.329969 -1.368908 1.934710 ESP Fit Center 1260 is at 0.153811 -1.749666 1.934710 ESP Fit Center 1261 is at 2.511442 -4.238586 1.934710 ESP Fit Center 1262 is at 3.682882 -1.192546 1.540764 ESP Fit Center 1263 is at 3.738484 -1.202460 1.131075 ESP Fit Center 1264 is at 2.402087 -4.428807 1.131075 ESP Fit Center 1265 is at 3.682882 -1.192546 0.721385 ESP Fit Center 1266 is at 2.304286 -4.405056 0.721385 ESP Fit Center 1267 is at 2.097435 -4.306459 0.327439 ESP Fit Center 1268 is at 1.373227 -4.001777 -0.035623 ESP Fit Center 1269 is at 1.781930 -4.102513 -0.035623 ESP Fit Center 1270 is at 2.202865 -4.102513 -0.035623 ESP Fit Center 1271 is at 3.403059 -2.842453 2.727026 ESP Fit Center 1272 is at 3.185651 -3.219014 2.727026 ESP Fit Center 1273 is at 3.808243 -2.842453 2.559193 ESP Fit Center 1274 is at 3.695704 -2.422453 2.559193 ESP Fit Center 1275 is at 2.968243 -3.682453 2.559193 ESP Fit Center 1276 is at 3.388243 -3.569914 2.559193 ESP Fit Center 1277 is at 3.695704 -3.262453 2.559193 ESP Fit Center 1278 is at 4.156182 -2.842453 2.292210 ESP Fit Center 1279 is at 4.075963 -2.413319 2.292210 ESP Fit Center 1280 is at 3.846140 -2.042143 2.292210 ESP Fit Center 1281 is at 3.077852 -4.025324 2.292210 ESP Fit Center 1282 is at 3.497753 -3.905852 2.292210 ESP Fit Center 1283 is at 3.846140 -3.642762 2.292210 ESP Fit Center 1284 is at 4.075963 -3.271586 2.292210 ESP Fit Center 1285 is at 4.423165 -2.842453 1.944271 ESP Fit Center 1286 is at 4.358527 -2.413607 1.944271 ESP Fit Center 1287 is at 4.170356 -2.022865 1.944271 ESP Fit Center 1288 is at 3.875372 -1.704948 1.944271 ESP Fit Center 1289 is at 2.644492 -4.260897 1.944271 ESP Fit Center 1290 is at 3.076969 -4.293307 1.944271 ESP Fit Center 1291 is at 3.499786 -4.196802 1.944271 ESP Fit Center 1292 is at 3.875372 -3.979957 1.944271 ESP Fit Center 1293 is at 4.170356 -3.662040 1.944271 ESP Fit Center 1294 is at 4.358527 -3.271299 1.944271 ESP Fit Center 1295 is at 4.590998 -2.842453 1.539087 ESP Fit Center 1296 is at 4.535704 -2.422453 1.539087 ESP Fit Center 1297 is at 4.373590 -2.031075 1.539087 ESP Fit Center 1298 is at 4.115704 -1.694991 1.539087 ESP Fit Center 1299 is at 2.548243 -4.409914 1.539087 ESP Fit Center 1300 is at 2.968243 -4.465208 1.539087 ESP Fit Center 1301 is at 3.388243 -4.409914 1.539087 ESP Fit Center 1302 is at 3.779620 -4.247800 1.539087 ESP Fit Center 1303 is at 4.115704 -3.989914 1.539087 ESP Fit Center 1304 is at 4.373590 -3.653830 1.539087 ESP Fit Center 1305 is at 4.535704 -3.262453 1.539087 ESP Fit Center 1306 is at 4.648243 -2.842453 1.104271 ESP Fit Center 1307 is at 4.595462 -2.424654 1.104271 ESP Fit Center 1308 is at 4.440438 -2.033106 1.104271 ESP Fit Center 1309 is at 4.192910 -1.692413 1.104271 ESP Fit Center 1310 is at 3.868432 -1.423982 1.104271 ESP Fit Center 1311 is at 2.653442 -4.492695 1.104271 ESP Fit Center 1312 is at 3.073731 -4.519137 1.104271 ESP Fit Center 1313 is at 3.487391 -4.440227 1.104271 ESP Fit Center 1314 is at 3.868432 -4.260923 1.104271 ESP Fit Center 1315 is at 4.192910 -3.992492 1.104271 ESP Fit Center 1316 is at 4.440438 -3.651799 1.104271 ESP Fit Center 1317 is at 4.595462 -3.260252 1.104271 ESP Fit Center 1318 is at 4.590998 -2.842453 0.669455 ESP Fit Center 1319 is at 4.535704 -2.422453 0.669455 ESP Fit Center 1320 is at 4.373590 -2.031075 0.669455 ESP Fit Center 1321 is at 4.115704 -1.694991 0.669455 ESP Fit Center 1322 is at 2.548243 -4.409914 0.669455 ESP Fit Center 1323 is at 2.968243 -4.465208 0.669455 ESP Fit Center 1324 is at 3.388243 -4.409914 0.669455 ESP Fit Center 1325 is at 3.779620 -4.247800 0.669455 ESP Fit Center 1326 is at 4.115704 -3.989914 0.669455 ESP Fit Center 1327 is at 4.373590 -3.653830 0.669455 ESP Fit Center 1328 is at 4.535704 -3.262453 0.669455 ESP Fit Center 1329 is at 4.423165 -2.842453 0.264271 ESP Fit Center 1330 is at 4.358527 -2.413607 0.264271 ESP Fit Center 1331 is at 4.170356 -2.022865 0.264271 ESP Fit Center 1332 is at 3.875372 -1.704948 0.264271 ESP Fit Center 1333 is at 2.644492 -4.260897 0.264271 ESP Fit Center 1334 is at 3.076969 -4.293307 0.264271 ESP Fit Center 1335 is at 3.499786 -4.196802 0.264271 ESP Fit Center 1336 is at 3.875372 -3.979957 0.264271 ESP Fit Center 1337 is at 4.170356 -3.662040 0.264271 ESP Fit Center 1338 is at 4.358527 -3.271299 0.264271 ESP Fit Center 1339 is at 4.156182 -2.842453 -0.083669 ESP Fit Center 1340 is at 4.075963 -2.413319 -0.083669 ESP Fit Center 1341 is at 3.846140 -2.042143 -0.083669 ESP Fit Center 1342 is at 2.643148 -3.985043 -0.083669 ESP Fit Center 1343 is at 3.077852 -4.025324 -0.083669 ESP Fit Center 1344 is at 3.497753 -3.905852 -0.083669 ESP Fit Center 1345 is at 3.846140 -3.642762 -0.083669 ESP Fit Center 1346 is at 4.075963 -3.271586 -0.083669 ESP Fit Center 1347 is at 3.808243 -2.842453 -0.350652 ESP Fit Center 1348 is at 3.695704 -2.422453 -0.350652 ESP Fit Center 1349 is at 2.968243 -3.682453 -0.350652 ESP Fit Center 1350 is at 3.388243 -3.569914 -0.350652 ESP Fit Center 1351 is at 3.695704 -3.262453 -0.350652 ESP Fit Center 1352 is at 3.185651 -3.219014 -0.518485 ESP Fit Center 1353 is at 1.264472 -3.113634 3.110728 ESP Fit Center 1354 is at 1.047064 -2.737073 3.053483 ESP Fit Center 1355 is at 0.829656 -3.113634 3.053483 ESP Fit Center 1356 is at 1.047064 -3.490196 3.053483 ESP Fit Center 1357 is at 1.481880 -3.490196 3.053483 ESP Fit Center 1358 is at 0.537010 -2.693634 2.885650 ESP Fit Center 1359 is at 0.424472 -3.113634 2.885650 ESP Fit Center 1360 is at 0.537010 -3.533634 2.885650 ESP Fit Center 1361 is at 0.844472 -3.841096 2.885650 ESP Fit Center 1362 is at 1.264472 -3.953634 2.885650 ESP Fit Center 1363 is at 1.684472 -3.841096 2.885650 ESP Fit Center 1364 is at 1.991933 -3.533634 2.885650 ESP Fit Center 1365 is at 0.254465 -2.488265 2.618667 ESP Fit Center 1366 is at 0.096759 -2.895351 2.618667 ESP Fit Center 1367 is at 0.096759 -3.331918 2.618667 ESP Fit Center 1368 is at 0.254465 -3.739004 2.618667 ESP Fit Center 1369 is at 0.548578 -4.061630 2.618667 ESP Fit Center 1370 is at 0.939377 -4.256225 2.618667 ESP Fit Center 1371 is at 1.374081 -4.296506 2.618667 ESP Fit Center 1372 is at 1.793982 -4.177034 2.618667 ESP Fit Center 1373 is at 2.142370 -3.913944 2.618667 ESP Fit Center 1374 is at 0.197938 -2.124035 2.270728 ESP Fit Center 1375 is at -0.046368 -2.482367 2.270728 ESP Fit Center 1376 is at -0.174201 -2.896789 2.270728 ESP Fit Center 1377 is at -0.174201 -3.330479 2.270728 ESP Fit Center 1378 is at -0.046368 -3.744902 2.270728 ESP Fit Center 1379 is at 0.197938 -4.103233 2.270728 ESP Fit Center 1380 is at 0.537010 -4.373634 2.270728 ESP Fit Center 1381 is at 0.940721 -4.532079 2.270728 ESP Fit Center 1382 is at 1.373198 -4.564489 2.270728 ESP Fit Center 1383 is at 1.796015 -4.467984 2.270728 ESP Fit Center 1384 is at 2.171601 -4.251139 2.270728 ESP Fit Center 1385 is at -0.140876 -2.302257 1.865544 ESP Fit Center 1386 is at -0.302990 -2.693634 1.865544 ESP Fit Center 1387 is at -0.358284 -3.113634 1.865544 ESP Fit Center 1388 is at -0.302990 -3.533634 1.865544 ESP Fit Center 1389 is at -0.140876 -3.925012 1.865544 ESP Fit Center 1390 is at 0.117010 -4.261096 1.865544 ESP Fit Center 1391 is at 0.453094 -4.518982 1.865544 ESP Fit Center 1392 is at 0.844472 -4.681096 1.865544 ESP Fit Center 1393 is at 1.264472 -4.736390 1.865544 ESP Fit Center 1394 is at 1.684472 -4.681096 1.865544 ESP Fit Center 1395 is at 2.075849 -4.518982 1.865544 ESP Fit Center 1396 is at -0.402281 -3.324194 1.430728 ESP Fit Center 1397 is at -0.297553 -3.732083 1.430728 ESP Fit Center 1398 is at -0.094677 -4.101113 1.430728 ESP Fit Center 1399 is at 0.193599 -4.408096 1.430728 ESP Fit Center 1400 is at 0.549162 -4.633744 1.430728 ESP Fit Center 1401 is at 0.949671 -4.763877 1.430728 ESP Fit Center 1402 is at 1.369960 -4.790319 1.430728 ESP Fit Center 1403 is at 1.783620 -4.711409 1.430728 ESP Fit Center 1404 is at 2.164661 -4.532105 1.430728 ESP Fit Center 1405 is at -0.140876 -3.925012 0.995912 ESP Fit Center 1406 is at 0.117010 -4.261096 0.995912 ESP Fit Center 1407 is at 0.453094 -4.518982 0.995912 ESP Fit Center 1408 is at 0.844472 -4.681096 0.995912 ESP Fit Center 1409 is at 1.264472 -4.736390 0.995912 ESP Fit Center 1410 is at 1.684472 -4.681096 0.995912 ESP Fit Center 1411 is at 2.075849 -4.518982 0.995912 ESP Fit Center 1412 is at 0.197938 -4.103233 0.590728 ESP Fit Center 1413 is at 0.537010 -4.373634 0.590728 ESP Fit Center 1414 is at 0.940721 -4.532079 0.590728 ESP Fit Center 1415 is at 1.373198 -4.564489 0.590728 ESP Fit Center 1416 is at 1.796015 -4.467984 0.590728 ESP Fit Center 1417 is at 0.548578 -4.061630 0.242788 ESP Fit Center 1418 is at 0.939377 -4.256225 0.242788 ESP Fit Center 1419 is at 1.374081 -4.296506 0.242788 ESP Fit Center 1420 is at 0.844472 -3.841096 -0.024195 ESP Fit Center 1421 is at 2.013470 -1.601578 3.576182 ESP Fit Center 1422 is at 2.448286 -1.601578 3.518937 ESP Fit Center 1423 is at 2.230878 -1.225017 3.518937 ESP Fit Center 1424 is at 1.796062 -1.225017 3.518937 ESP Fit Center 1425 is at 1.578654 -1.601578 3.518937 ESP Fit Center 1426 is at 1.796062 -1.978140 3.518937 ESP Fit Center 1427 is at 2.230878 -1.978140 3.518937 ESP Fit Center 1428 is at 2.853470 -1.601578 3.351105 ESP Fit Center 1429 is at 2.740932 -1.181578 3.351105 ESP Fit Center 1430 is at 2.433470 -0.874117 3.351105 ESP Fit Center 1431 is at 2.013470 -0.761578 3.351105 ESP Fit Center 1432 is at 1.593470 -0.874117 3.351105 ESP Fit Center 1433 is at 1.286009 -1.181578 3.351105 ESP Fit Center 1434 is at 1.173470 -1.601578 3.351105 ESP Fit Center 1435 is at 1.286009 -2.021578 3.351105 ESP Fit Center 1436 is at 1.593470 -2.329040 3.351105 ESP Fit Center 1437 is at 2.013470 -2.441578 3.351105 ESP Fit Center 1438 is at 2.433470 -2.329040 3.351105 ESP Fit Center 1439 is at 2.740932 -2.021578 3.351105 ESP Fit Center 1440 is at 3.201410 -1.601578 3.084121 ESP Fit Center 1441 is at 3.121191 -1.172445 3.084121 ESP Fit Center 1442 is at 2.891368 -0.801269 3.084121 ESP Fit Center 1443 is at 2.542980 -0.538179 3.084121 ESP Fit Center 1444 is at 2.123080 -0.418706 3.084121 ESP Fit Center 1445 is at 1.688375 -0.458988 3.084121 ESP Fit Center 1446 is at 1.297577 -0.653582 3.084121 ESP Fit Center 1447 is at 1.003464 -0.976209 3.084121 ESP Fit Center 1448 is at 0.845758 -1.383295 3.084121 ESP Fit Center 1449 is at 0.845758 -1.819862 3.084121 ESP Fit Center 1450 is at 1.003464 -2.226948 3.084121 ESP Fit Center 1451 is at 2.891368 -2.401888 3.084121 ESP Fit Center 1452 is at 3.121191 -2.030711 3.084121 ESP Fit Center 1453 is at 3.468393 -1.601578 2.736182 ESP Fit Center 1454 is at 3.403755 -1.172732 2.736182 ESP Fit Center 1455 is at 3.215584 -0.781991 2.736182 ESP Fit Center 1456 is at 2.920600 -0.464074 2.736182 ESP Fit Center 1457 is at 2.545013 -0.247229 2.736182 ESP Fit Center 1458 is at 2.122197 -0.150724 2.736182 ESP Fit Center 1459 is at 1.689720 -0.183134 2.736182 ESP Fit Center 1460 is at 1.286009 -0.341578 2.736182 ESP Fit Center 1461 is at 0.946936 -0.611980 2.736182 ESP Fit Center 1462 is at 0.702630 -0.970311 2.736182 ESP Fit Center 1463 is at 0.574798 -1.384733 2.736182 ESP Fit Center 1464 is at 0.574798 -1.818423 2.736182 ESP Fit Center 1465 is at 3.403755 -2.030424 2.736182 ESP Fit Center 1466 is at 3.636226 -1.601578 2.330998 ESP Fit Center 1467 is at 3.580932 -1.181578 2.330998 ESP Fit Center 1468 is at 3.418818 -0.790201 2.330998 ESP Fit Center 1469 is at 1.593470 -0.034117 2.330998 ESP Fit Center 1470 is at 1.202093 -0.196231 2.330998 ESP Fit Center 1471 is at 0.866009 -0.454117 2.330998 ESP Fit Center 1472 is at 0.608123 -0.790201 2.330998 ESP Fit Center 1473 is at 0.446009 -1.181578 2.330998 ESP Fit Center 1474 is at 0.390715 -1.601578 2.330998 ESP Fit Center 1475 is at 3.640690 -1.183779 1.896182 ESP Fit Center 1476 is at 0.942598 -0.307116 1.896182 ESP Fit Center 1477 is at 0.654322 -0.614099 1.896182 ESP Fit Center 1478 is at 0.451446 -0.983129 1.896182 ESP Fit Center 1479 is at 2.725082 3.041898 -1.194184 ESP Fit Center 1480 is at 3.207574 1.262223 3.045184 ESP Fit Center 1481 is at 2.797149 0.551347 3.045184 ESP Fit Center 1482 is at 3.097601 0.851799 3.045184 ESP Fit Center 1483 is at 3.586725 1.262223 2.868383 ESP Fit Center 1484 is at 3.514356 1.672647 2.868383 ESP Fit Center 1485 is at 3.305979 2.033568 2.868383 ESP Fit Center 1486 is at 2.595103 0.080453 2.868383 ESP Fit Center 1487 is at 2.986725 0.222992 2.868383 ESP Fit Center 1488 is at 3.305979 0.490878 2.868383 ESP Fit Center 1489 is at 3.514356 0.851799 2.868383 ESP Fit Center 1490 is at 3.929415 1.262223 2.628429 ESP Fit Center 1491 is at 3.872208 1.678436 2.628429 ESP Fit Center 1492 is at 3.704830 2.063780 2.628429 ESP Fit Center 1493 is at 3.439693 2.389676 2.628429 ESP Fit Center 1494 is at 3.872208 0.846010 2.628429 ESP Fit Center 1495 is at 4.225232 1.262223 2.332612 ESP Fit Center 1496 is at 4.175675 1.686212 2.332612 ESP Fit Center 1497 is at 4.029675 2.087343 2.332612 ESP Fit Center 1498 is at 3.795103 2.443992 2.332612 ESP Fit Center 1499 is at 3.484605 2.736932 2.332612 ESP Fit Center 1500 is at 3.114921 2.950369 2.332612 ESP Fit Center 1501 is at 4.175675 0.838234 2.332612 ESP Fit Center 1502 is at 4.465186 1.262223 1.989922 ESP Fit Center 1503 is at 4.422640 1.680614 1.989922 ESP Fit Center 1504 is at 2.701462 3.316716 1.989922 ESP Fit Center 1505 is at 4.641988 1.262223 1.610771 ESP Fit Center 1506 is at 2.494035 3.514931 1.610771 ESP Fit Center 1507 is at 2.065768 3.494530 1.610771 ESP Fit Center 1508 is at 1.860788 3.566503 1.206678 ESP Fit Center 1509 is at 1.457795 3.435562 1.206678 ESP Fit Center 1510 is at 1.969970 3.625761 0.789922 ESP Fit Center 1511 is at 1.565877 3.517485 0.789922 ESP Fit Center 1512 is at 4.750264 0.845467 0.789922 ESP Fit Center 1513 is at 4.712281 0.840197 0.373167 ESP Fit Center 1514 is at 4.601232 0.835412 -0.030926 ESP Fit Center 1515 is at 4.296743 0.442570 -0.410078 ESP Fit Center 1516 is at 4.422640 0.843832 -0.410078 ESP Fit Center 1517 is at 4.235989 0.812342 -0.912552 ESP Fit Center 1518 is at 4.194591 1.232662 -0.912552 ESP Fit Center 1519 is at 4.071989 -0.012146 -0.912552 ESP Fit Center 1520 is at 4.194591 0.392022 -0.912552 ESP Fit Center 1521 is at 4.311944 0.812342 -1.318876 ESP Fit Center 1522 is at 4.271637 1.234456 -1.318876 ESP Fit Center 1523 is at 4.152173 1.641314 -1.318876 ESP Fit Center 1524 is at 3.957869 2.018211 -1.318876 ESP Fit Center 1525 is at 3.695748 2.351525 -1.318876 ESP Fit Center 1526 is at 3.375285 2.629208 -1.318876 ESP Fit Center 1527 is at 3.008060 2.841226 -1.318876 ESP Fit Center 1528 is at 4.152173 -0.016631 -1.318876 ESP Fit Center 1529 is at 4.271637 0.390227 -1.318876 ESP Fit Center 1530 is at 4.311944 0.812342 -1.732238 ESP Fit Center 1531 is at 4.271637 1.234456 -1.732238 ESP Fit Center 1532 is at 4.152173 1.641314 -1.732238 ESP Fit Center 1533 is at 3.957869 2.018211 -1.732238 ESP Fit Center 1534 is at 3.695748 2.351525 -1.732238 ESP Fit Center 1535 is at 3.375285 2.629208 -1.732238 ESP Fit Center 1536 is at 3.008060 2.841226 -1.732238 ESP Fit Center 1537 is at 2.607347 2.979914 -1.732238 ESP Fit Center 1538 is at 3.957869 -0.393528 -1.732238 ESP Fit Center 1539 is at 4.152173 -0.016631 -1.732238 ESP Fit Center 1540 is at 4.271637 0.390227 -1.732238 ESP Fit Center 1541 is at 4.235989 0.812342 -2.138562 ESP Fit Center 1542 is at 4.194591 1.232662 -2.138562 ESP Fit Center 1543 is at 4.071989 1.636829 -2.138562 ESP Fit Center 1544 is at 3.872892 2.009312 -2.138562 ESP Fit Center 1545 is at 3.604954 2.335796 -2.138562 ESP Fit Center 1546 is at 3.278470 2.603734 -2.138562 ESP Fit Center 1547 is at 2.905987 2.802831 -2.138562 ESP Fit Center 1548 is at 2.501820 2.925433 -2.138562 ESP Fit Center 1549 is at 2.081500 2.966831 -2.138562 ESP Fit Center 1550 is at 3.604954 -0.711112 -2.138562 ESP Fit Center 1551 is at 3.872892 -0.384628 -2.138562 ESP Fit Center 1552 is at 4.071989 -0.012146 -2.138562 ESP Fit Center 1553 is at 4.194591 0.392022 -2.138562 ESP Fit Center 1554 is at 4.086666 0.812342 -2.524011 ESP Fit Center 1555 is at 4.042848 1.229239 -2.524011 ESP Fit Center 1556 is at 3.913310 1.627916 -2.524011 ESP Fit Center 1557 is at 3.703713 1.990949 -2.524011 ESP Fit Center 1558 is at 3.423218 2.302470 -2.524011 ESP Fit Center 1559 is at 3.084083 2.548866 -2.524011 ESP Fit Center 1560 is at 2.701130 2.719368 -2.524011 ESP Fit Center 1561 is at 1.078917 -0.924183 -2.524011 ESP Fit Center 1562 is at 2.291097 -1.181839 -2.524011 ESP Fit Center 1563 is at 2.701130 -1.094684 -2.524011 ESP Fit Center 1564 is at 3.084083 -0.924183 -2.524011 ESP Fit Center 1565 is at 3.423218 -0.677787 -2.524011 ESP Fit Center 1566 is at 3.703713 -0.366265 -2.524011 ESP Fit Center 1567 is at 3.913310 -0.003233 -2.524011 ESP Fit Center 1568 is at 4.042848 0.395444 -2.524011 ESP Fit Center 1569 is at 3.869058 0.812342 -2.875459 ESP Fit Center 1570 is at 3.820875 1.224581 -2.875459 ESP Fit Center 1571 is at 3.678921 1.614597 -2.875459 ESP Fit Center 1572 is at 3.450849 1.961362 -2.875459 ESP Fit Center 1573 is at 3.148956 2.246184 -2.875459 ESP Fit Center 1574 is at 1.187721 -0.735729 -2.875459 ESP Fit Center 1575 is at 1.568822 -0.900121 -2.875459 ESP Fit Center 1576 is at 1.977563 -0.972193 -2.875459 ESP Fit Center 1577 is at 2.391906 -0.948060 -2.875459 ESP Fit Center 1578 is at 2.789516 -0.829023 -2.875459 ESP Fit Center 1579 is at 3.148956 -0.621500 -2.875459 ESP Fit Center 1580 is at 3.450849 -0.336679 -2.875459 ESP Fit Center 1581 is at 3.678921 0.010087 -2.875459 ESP Fit Center 1582 is at 3.820875 0.400102 -2.875459 ESP Fit Center 1583 is at 3.590578 0.812342 -3.180937 ESP Fit Center 1584 is at 3.529450 1.237498 -3.180937 ESP Fit Center 1585 is at 3.351017 1.628211 -3.180937 ESP Fit Center 1586 is at 3.069736 1.952827 -3.180937 ESP Fit Center 1587 is at 1.866736 -0.681376 -3.180937 ESP Fit Center 1588 is at 2.296264 -0.681376 -3.180937 ESP Fit Center 1589 is at 2.708394 -0.560364 -3.180937 ESP Fit Center 1590 is at 3.069736 -0.328143 -3.180937 ESP Fit Center 1591 is at 3.351017 -0.003527 -3.180937 ESP Fit Center 1592 is at 3.529450 0.387185 -3.180937 ESP Fit Center 1593 is at 3.260708 0.812342 -3.430043 ESP Fit Center 1594 is at 3.181079 1.238321 -3.430043 ESP Fit Center 1595 is at 2.190303 -0.361836 -3.430043 ESP Fit Center 1596 is at 2.607118 -0.243242 -3.430043 ESP Fit Center 1597 is at 2.952945 0.017914 -3.430043 ESP Fit Center 1598 is at 3.181079 0.386363 -3.430043 ESP Fit Center 1599 is at -3.151925 -1.817903 2.062947 ESP Fit Center 1600 is at -3.357725 -1.461448 2.024807 ESP Fit Center 1601 is at -3.563524 -1.817903 2.024807 ESP Fit Center 1602 is at -3.357725 -2.174358 2.024807 ESP Fit Center 1603 is at -2.946126 -2.174358 2.024807 ESP Fit Center 1604 is at -3.556516 -1.117132 1.911685 ESP Fit Center 1605 is at -3.852697 -1.413312 1.911685 ESP Fit Center 1606 is at -3.961107 -1.817903 1.911685 ESP Fit Center 1607 is at -3.852697 -2.222494 1.911685 ESP Fit Center 1608 is at -3.556516 -2.518675 1.911685 ESP Fit Center 1609 is at -3.151925 -2.627084 1.911685 ESP Fit Center 1610 is at -2.747335 -2.518675 1.911685 ESP Fit Center 1611 is at -3.862557 -0.876875 1.727433 ESP Fit Center 1612 is at -4.154508 -1.197130 1.727433 ESP Fit Center 1613 is at -4.311055 -1.601224 1.727433 ESP Fit Center 1614 is at -4.311055 -2.034582 1.727433 ESP Fit Center 1615 is at -4.154508 -2.438676 1.727433 ESP Fit Center 1616 is at -3.862557 -2.758931 1.727433 ESP Fit Center 1617 is at -3.474631 -2.952096 1.727433 ESP Fit Center 1618 is at -3.043122 -2.992081 1.727433 ESP Fit Center 1619 is at -2.626307 -2.873487 1.727433 ESP Fit Center 1620 is at -4.140162 -0.677418 1.478327 ESP Fit Center 1621 is at -4.421443 -1.002034 1.478327 ESP Fit Center 1622 is at -4.599875 -1.392747 1.478327 ESP Fit Center 1623 is at -4.661004 -1.817903 1.478327 ESP Fit Center 1624 is at -4.599875 -2.243060 1.478327 ESP Fit Center 1625 is at -4.421443 -2.633772 1.478327 ESP Fit Center 1626 is at -4.140162 -2.958388 1.478327 ESP Fit Center 1627 is at -3.778819 -3.190609 1.478327 ESP Fit Center 1628 is at -3.366690 -3.311621 1.478327 ESP Fit Center 1629 is at -2.937161 -3.311621 1.478327 ESP Fit Center 1630 is at -2.525032 -3.190609 1.478327 ESP Fit Center 1631 is at -4.378623 -0.517680 1.172848 ESP Fit Center 1632 is at -4.645409 -0.835624 1.172848 ESP Fit Center 1633 is at -4.831681 -1.206522 1.172848 ESP Fit Center 1634 is at -4.927397 -1.610380 1.172848 ESP Fit Center 1635 is at -4.927397 -2.025426 1.172848 ESP Fit Center 1636 is at -4.831681 -2.429284 1.172848 ESP Fit Center 1637 is at -4.645409 -2.800183 1.172848 ESP Fit Center 1638 is at -4.378623 -3.118126 1.172848 ESP Fit Center 1639 is at -4.045705 -3.365974 1.172848 ESP Fit Center 1640 is at -3.664603 -3.530365 1.172848 ESP Fit Center 1641 is at -3.255863 -3.602437 1.172848 ESP Fit Center 1642 is at -2.841519 -3.578305 1.172848 ESP Fit Center 1643 is at -2.443910 -3.459268 1.172848 ESP Fit Center 1644 is at -2.084469 -3.251745 1.172848 ESP Fit Center 1645 is at -4.774139 -0.639296 0.821401 ESP Fit Center 1646 is at -4.983736 -1.002329 0.821401 ESP Fit Center 1647 is at -5.113274 -1.401006 0.821401 ESP Fit Center 1648 is at -5.157091 -1.817903 0.821401 ESP Fit Center 1649 is at -5.113274 -2.234801 0.821401 ESP Fit Center 1650 is at -4.983736 -2.633477 0.821401 ESP Fit Center 1651 is at -4.774139 -2.996510 0.821401 ESP Fit Center 1652 is at -4.493643 -3.308032 0.821401 ESP Fit Center 1653 is at -4.154508 -3.554428 0.821401 ESP Fit Center 1654 is at -3.771556 -3.724929 0.821401 ESP Fit Center 1655 is at -3.361522 -3.812084 0.821401 ESP Fit Center 1656 is at -2.942329 -3.812084 0.821401 ESP Fit Center 1657 is at -2.532295 -3.724929 0.821401 ESP Fit Center 1658 is at -2.149343 -3.554428 0.821401 ESP Fit Center 1659 is at -4.675380 -0.294449 0.435952 ESP Fit Center 1660 is at -4.943318 -0.620933 0.435952 ESP Fit Center 1661 is at -5.142414 -0.993416 0.435952 ESP Fit Center 1662 is at -5.265017 -1.397583 0.435952 ESP Fit Center 1663 is at -5.306415 -1.817903 0.435952 ESP Fit Center 1664 is at -5.265017 -2.238223 0.435952 ESP Fit Center 1665 is at -5.142414 -2.642391 0.435952 ESP Fit Center 1666 is at -4.943318 -3.014873 0.435952 ESP Fit Center 1667 is at -4.675380 -3.341357 0.435952 ESP Fit Center 1668 is at -4.348896 -3.609296 0.435952 ESP Fit Center 1669 is at -3.976413 -3.808392 0.435952 ESP Fit Center 1670 is at -3.572245 -3.930995 0.435952 ESP Fit Center 1671 is at -3.151925 -3.972393 0.435952 ESP Fit Center 1672 is at -2.731605 -3.930995 0.435952 ESP Fit Center 1673 is at -2.327438 -3.808392 0.435952 ESP Fit Center 1674 is at -4.905173 -0.439134 0.029628 ESP Fit Center 1675 is at -5.134424 -0.795854 0.029628 ESP Fit Center 1676 is at -5.292021 -1.189514 0.029628 ESP Fit Center 1677 is at -5.372270 -1.605886 0.029628 ESP Fit Center 1678 is at -5.372270 -2.029920 0.029628 ESP Fit Center 1679 is at -5.292021 -2.446292 0.029628 ESP Fit Center 1680 is at -5.134424 -2.839952 0.029628 ESP Fit Center 1681 is at -4.905173 -3.196672 0.029628 ESP Fit Center 1682 is at -4.612556 -3.503561 0.029628 ESP Fit Center 1683 is at -4.267148 -3.749525 0.029628 ESP Fit Center 1684 is at -3.881432 -3.925675 0.029628 ESP Fit Center 1685 is at -3.469351 -4.025645 0.029628 ESP Fit Center 1686 is at -3.045797 -4.045821 0.029628 ESP Fit Center 1687 is at -2.626078 -3.985475 0.029628 ESP Fit Center 1688 is at -4.612556 -0.132246 -0.383734 ESP Fit Center 1689 is at -4.905173 -0.439134 -0.383734 ESP Fit Center 1690 is at -5.134424 -0.795854 -0.383734 ESP Fit Center 1691 is at -5.292021 -1.189514 -0.383734 ESP Fit Center 1692 is at -5.372270 -1.605886 -0.383734 ESP Fit Center 1693 is at -5.372270 -2.029920 -0.383734 ESP Fit Center 1694 is at -5.292021 -2.446292 -0.383734 ESP Fit Center 1695 is at -5.134424 -2.839952 -0.383734 ESP Fit Center 1696 is at -4.905173 -3.196672 -0.383734 ESP Fit Center 1697 is at -4.612556 -3.503561 -0.383734 ESP Fit Center 1698 is at -4.267148 -3.749525 -0.383734 ESP Fit Center 1699 is at -3.881432 -3.925675 -0.383734 ESP Fit Center 1700 is at -3.469351 -4.025645 -0.383734 ESP Fit Center 1701 is at -3.045797 -4.045821 -0.383734 ESP Fit Center 1702 is at -2.626078 -3.985475 -0.383734 ESP Fit Center 1703 is at -4.675380 -0.294449 -0.790058 ESP Fit Center 1704 is at -4.943318 -0.620933 -0.790058 ESP Fit Center 1705 is at -5.142414 -0.993416 -0.790058 ESP Fit Center 1706 is at -5.265017 -1.397583 -0.790058 ESP Fit Center 1707 is at -5.306415 -1.817903 -0.790058 ESP Fit Center 1708 is at -5.265017 -2.238223 -0.790058 ESP Fit Center 1709 is at -5.142414 -2.642391 -0.790058 ESP Fit Center 1710 is at -4.943318 -3.014873 -0.790058 ESP Fit Center 1711 is at -4.675380 -3.341357 -0.790058 ESP Fit Center 1712 is at -4.348896 -3.609296 -0.790058 ESP Fit Center 1713 is at -3.976413 -3.808392 -0.790058 ESP Fit Center 1714 is at -3.572245 -3.930995 -0.790058 ESP Fit Center 1715 is at -3.151925 -3.972393 -0.790058 ESP Fit Center 1716 is at -2.731605 -3.930995 -0.790058 ESP Fit Center 1717 is at -4.154508 -0.081379 -1.175507 ESP Fit Center 1718 is at -4.493643 -0.327775 -1.175507 ESP Fit Center 1719 is at -4.774139 -0.639296 -1.175507 ESP Fit Center 1720 is at -4.983736 -1.002329 -1.175507 ESP Fit Center 1721 is at -5.113274 -1.401006 -1.175507 ESP Fit Center 1722 is at -5.157091 -1.817903 -1.175507 ESP Fit Center 1723 is at -5.113274 -2.234801 -1.175507 ESP Fit Center 1724 is at -4.983736 -2.633477 -1.175507 ESP Fit Center 1725 is at -4.774139 -2.996510 -1.175507 ESP Fit Center 1726 is at -4.493643 -3.308032 -1.175507 ESP Fit Center 1727 is at -4.154508 -3.554428 -1.175507 ESP Fit Center 1728 is at -3.771556 -3.724929 -1.175507 ESP Fit Center 1729 is at -3.361522 -3.812084 -1.175507 ESP Fit Center 1730 is at -2.942329 -3.812084 -1.175507 ESP Fit Center 1731 is at -2.532295 -3.724929 -1.175507 ESP Fit Center 1732 is at -4.045705 -0.269832 -1.526955 ESP Fit Center 1733 is at -4.378623 -0.517680 -1.526955 ESP Fit Center 1734 is at -4.645409 -0.835624 -1.526955 ESP Fit Center 1735 is at -4.831681 -1.206522 -1.526955 ESP Fit Center 1736 is at -4.927397 -1.610380 -1.526955 ESP Fit Center 1737 is at -4.927397 -2.025426 -1.526955 ESP Fit Center 1738 is at -4.831681 -2.429284 -1.526955 ESP Fit Center 1739 is at -4.645409 -2.800183 -1.526955 ESP Fit Center 1740 is at -4.378623 -3.118126 -1.526955 ESP Fit Center 1741 is at -4.045705 -3.365974 -1.526955 ESP Fit Center 1742 is at -3.664603 -3.530365 -1.526955 ESP Fit Center 1743 is at -3.255863 -3.602437 -1.526955 ESP Fit Center 1744 is at -2.841519 -3.578305 -1.526955 ESP Fit Center 1745 is at -2.443910 -3.459268 -1.526955 ESP Fit Center 1746 is at -3.778819 -0.445197 -1.832433 ESP Fit Center 1747 is at -4.140162 -0.677418 -1.832433 ESP Fit Center 1748 is at -4.421443 -1.002034 -1.832433 ESP Fit Center 1749 is at -4.599875 -1.392747 -1.832433 ESP Fit Center 1750 is at -4.661004 -1.817903 -1.832433 ESP Fit Center 1751 is at -4.599875 -2.243060 -1.832433 ESP Fit Center 1752 is at -4.421443 -2.633772 -1.832433 ESP Fit Center 1753 is at -4.140162 -2.958388 -1.832433 ESP Fit Center 1754 is at -3.778819 -3.190609 -1.832433 ESP Fit Center 1755 is at -3.366690 -3.311621 -1.832433 ESP Fit Center 1756 is at -2.937161 -3.311621 -1.832433 ESP Fit Center 1757 is at -2.525032 -3.190609 -1.832433 ESP Fit Center 1758 is at -3.474631 -0.683711 -2.081539 ESP Fit Center 1759 is at -3.862557 -0.876875 -2.081539 ESP Fit Center 1760 is at -4.154508 -1.197130 -2.081539 ESP Fit Center 1761 is at -4.311055 -1.601224 -2.081539 ESP Fit Center 1762 is at -4.311055 -2.034582 -2.081539 ESP Fit Center 1763 is at -4.154508 -2.438676 -2.081539 ESP Fit Center 1764 is at -3.862557 -2.758931 -2.081539 ESP Fit Center 1765 is at -3.474631 -2.952096 -2.081539 ESP Fit Center 1766 is at -3.043122 -2.992081 -2.081539 ESP Fit Center 1767 is at -2.626307 -2.873487 -2.081539 ESP Fit Center 1768 is at -3.556516 -1.117132 -2.265791 ESP Fit Center 1769 is at -3.852697 -1.413312 -2.265791 ESP Fit Center 1770 is at -3.961107 -1.817903 -2.265791 ESP Fit Center 1771 is at -3.852697 -2.222494 -2.265791 ESP Fit Center 1772 is at -3.556516 -2.518675 -2.265791 ESP Fit Center 1773 is at -3.151925 -2.627084 -2.265791 ESP Fit Center 1774 is at -2.747335 -2.518675 -2.265791 ESP Fit Center 1775 is at -3.357725 -1.461448 -2.378913 ESP Fit Center 1776 is at -3.563524 -1.817903 -2.378913 ESP Fit Center 1777 is at -3.357725 -2.174358 -2.378913 ESP Fit Center 1778 is at -2.946126 -2.174358 -2.378913 ESP Fit Center 1779 is at -3.151925 -1.817903 -2.417053 ESP Fit Center 1780 is at -2.104267 -1.246549 2.254099 ESP Fit Center 1781 is at -1.687511 -1.246549 2.217637 ESP Fit Center 1782 is at -2.521023 -1.246549 2.217637 ESP Fit Center 1783 is at -2.312645 -1.607470 2.217637 ESP Fit Center 1784 is at -1.895889 -1.607470 2.217637 ESP Fit Center 1785 is at -1.283419 -1.246549 2.109361 ESP Fit Center 1786 is at -2.925115 -1.246549 2.109361 ESP Fit Center 1787 is at -2.815143 -1.656974 2.109361 ESP Fit Center 1788 is at -2.514691 -1.957425 2.109361 ESP Fit Center 1789 is at -2.104267 -2.067398 2.109361 ESP Fit Center 1790 is at -1.693843 -1.957425 2.109361 ESP Fit Center 1791 is at -1.393392 -1.656974 2.109361 ESP Fit Center 1792 is at -2.312645 -2.428319 1.932560 ESP Fit Center 1793 is at -1.895889 -2.428319 1.932560 ESP Fit Center 1794 is at -2.209544 -2.785643 1.692605 ESP Fit Center 1795 is at -1.790397 -2.756973 1.692605 ESP Fit Center 1796 is at -3.640317 -0.236273 -1.688591 ESP Fit Center 1797 is at -3.300949 -0.272976 -1.984408 ESP Fit Center 1798 is at -2.209544 -2.785643 -1.984408 ESP Fit Center 1799 is at -1.504267 -0.207319 -2.224362 ESP Fit Center 1800 is at -2.704267 -0.207319 -2.224362 ESP Fit Center 1801 is at -3.023520 -0.475204 -2.224362 ESP Fit Center 1802 is at -3.231898 -0.836125 -2.224362 ESP Fit Center 1803 is at -2.312645 -2.428319 -2.224362 ESP Fit Center 1804 is at -1.393392 -0.836125 -2.401163 ESP Fit Center 1805 is at -1.693843 -0.535674 -2.401163 ESP Fit Center 1806 is at -2.104267 -0.425701 -2.401163 ESP Fit Center 1807 is at -2.514691 -0.535674 -2.401163 ESP Fit Center 1808 is at -2.815143 -0.836125 -2.401163 ESP Fit Center 1809 is at -2.925115 -1.246549 -2.401163 ESP Fit Center 1810 is at -2.815143 -1.656974 -2.401163 ESP Fit Center 1811 is at -2.514691 -1.957425 -2.401163 ESP Fit Center 1812 is at -2.104267 -2.067398 -2.401163 ESP Fit Center 1813 is at -1.687511 -1.246549 -2.509440 ESP Fit Center 1814 is at -1.895889 -0.885628 -2.509440 ESP Fit Center 1815 is at -2.312645 -0.885628 -2.509440 ESP Fit Center 1816 is at -2.521023 -1.246549 -2.509440 ESP Fit Center 1817 is at -2.312645 -1.607470 -2.509440 ESP Fit Center 1818 is at -1.895889 -1.607470 -2.509440 ESP Fit Center 1819 is at -2.104267 -1.246549 -2.545901 ESP Fit Center 1820 is at -2.053588 0.121275 2.490541 ESP Fit Center 1821 is at -1.636832 0.121275 2.454080 ESP Fit Center 1822 is at -1.845210 0.482196 2.454080 ESP Fit Center 1823 is at -2.261966 0.482196 2.454080 ESP Fit Center 1824 is at -2.470343 0.121275 2.454080 ESP Fit Center 1825 is at -2.261966 -0.239646 2.454080 ESP Fit Center 1826 is at -1.845210 -0.239646 2.454080 ESP Fit Center 1827 is at -2.464012 0.832151 2.345803 ESP Fit Center 1828 is at -2.764463 0.531699 2.345803 ESP Fit Center 1829 is at -2.874436 0.121275 2.345803 ESP Fit Center 1830 is at -2.764463 -0.289149 2.345803 ESP Fit Center 1831 is at -2.464012 -0.589600 2.345803 ESP Fit Center 1832 is at -2.053588 -0.699573 2.345803 ESP Fit Center 1833 is at -1.643164 -0.589600 2.345803 ESP Fit Center 1834 is at -1.342712 -0.289149 2.345803 ESP Fit Center 1835 is at -2.972841 0.892620 2.169002 ESP Fit Center 1836 is at -3.181219 0.531699 2.169002 ESP Fit Center 1837 is at -3.253588 0.121275 2.169002 ESP Fit Center 1838 is at -3.181219 -0.289149 2.169002 ESP Fit Center 1839 is at -2.972841 -0.650070 2.169002 ESP Fit Center 1840 is at -2.653588 -0.917955 2.169002 ESP Fit Center 1841 is at -1.453588 -0.917955 2.169002 ESP Fit Center 1842 is at -1.134334 -0.650070 2.169002 ESP Fit Center 1843 is at -3.468561 -0.493334 1.929048 ESP Fit Center 1844 is at -3.250270 -0.852298 1.929048 ESP Fit Center 1845 is at -0.735483 -0.680282 1.929048 ESP Fit Center 1846 is at -3.781219 -0.507531 1.633231 ESP Fit Center 1847 is at -3.315248 1.458557 -1.452149 ESP Fit Center 1848 is at -3.879663 0.334713 -1.452149 ESP Fit Center 1849 is at -3.879663 -0.092162 -1.452149 ESP Fit Center 1850 is at -2.943227 1.381607 -1.747965 ESP Fit Center 1851 is at -3.250270 1.094848 -1.747965 ESP Fit Center 1852 is at -3.468561 0.735885 -1.747965 ESP Fit Center 1853 is at -3.581909 0.331338 -1.747965 ESP Fit Center 1854 is at -3.581909 -0.088788 -1.747965 ESP Fit Center 1855 is at -2.261966 1.303045 -1.987920 ESP Fit Center 1856 is at -2.653588 1.160506 -1.987920 ESP Fit Center 1857 is at -2.972841 0.892620 -1.987920 ESP Fit Center 1858 is at -3.181219 0.531699 -1.987920 ESP Fit Center 1859 is at -3.253588 0.121275 -1.987920 ESP Fit Center 1860 is at -1.232739 0.121275 -2.164721 ESP Fit Center 1861 is at -2.053588 0.942124 -2.164721 ESP Fit Center 1862 is at -2.464012 0.832151 -2.164721 ESP Fit Center 1863 is at -2.764463 0.531699 -2.164721 ESP Fit Center 1864 is at -2.874436 0.121275 -2.164721 ESP Fit Center 1865 is at -1.636832 0.121275 -2.272997 ESP Fit Center 1866 is at -1.845210 0.482196 -2.272997 ESP Fit Center 1867 is at -2.261966 0.482196 -2.272997 ESP Fit Center 1868 is at -2.470343 0.121275 -2.272997 ESP Fit Center 1869 is at -2.053588 0.121275 -2.309459 ESP Fit Center 1870 is at -1.178567 0.560718 2.466024 ESP Fit Center 1871 is at -0.761811 0.560718 2.466024 ESP Fit Center 1872 is at -0.970189 0.100790 2.357747 ESP Fit Center 1873 is at -0.559765 0.210763 2.357747 ESP Fit Center 1874 is at -0.259313 0.511215 2.357747 ESP Fit Center 1875 is at -0.761811 -0.260131 2.180946 ESP Fit Center 1876 is at -0.370189 -0.117592 2.180946 ESP Fit Center 1877 is at -0.656319 -0.588785 1.940992 ESP Fit Center 1878 is at -1.681064 1.332063 -2.152777 ESP Fit Center 1879 is at -0.761811 1.282560 -2.261054 ESP Fit Center 1880 is at -1.178567 1.282560 -2.261054 ESP Fit Center 1881 is at -1.386945 0.921639 -2.261054 ESP Fit Center 1882 is at -1.178567 0.560718 -2.261054 ESP Fit Center 1883 is at -0.970189 0.921639 -2.297515 ESP Fit Center 1884 is at -1.201688 2.561136 3.208293 ESP Fit Center 1885 is at -0.784370 2.561136 3.177020 ESP Fit Center 1886 is at -0.993029 2.922544 3.177020 ESP Fit Center 1887 is at -1.410348 2.922544 3.177020 ESP Fit Center 1888 is at -1.619007 2.561136 3.177020 ESP Fit Center 1889 is at -1.410348 2.199727 3.177020 ESP Fit Center 1890 is at -0.993029 2.199727 3.177020 ESP Fit Center 1891 is at -0.376374 2.561136 3.083897 ESP Fit Center 1892 is at -0.486945 2.973793 3.083897 ESP Fit Center 1893 is at -0.789031 3.275879 3.083897 ESP Fit Center 1894 is at -1.201688 3.386450 3.083897 ESP Fit Center 1895 is at -1.614346 3.275879 3.083897 ESP Fit Center 1896 is at -1.916432 2.973793 3.083897 ESP Fit Center 1897 is at -2.027003 2.561136 3.083897 ESP Fit Center 1898 is at -1.916432 2.148479 3.083897 ESP Fit Center 1899 is at -1.614346 1.846392 3.083897 ESP Fit Center 1900 is at -1.201688 1.735821 3.083897 ESP Fit Center 1901 is at -0.789031 1.846392 3.083897 ESP Fit Center 1902 is at -0.486945 2.148479 3.083897 ESP Fit Center 1903 is at 0.013186 2.561136 2.931006 ESP Fit Center 1904 is at -0.060080 2.976647 2.931006 ESP Fit Center 1905 is at -0.271041 3.342042 2.931006 ESP Fit Center 1906 is at -0.594251 3.613248 2.931006 ESP Fit Center 1907 is at -0.990728 3.757554 2.931006 ESP Fit Center 1908 is at -1.412649 3.757554 2.931006 ESP Fit Center 1909 is at -1.809126 3.613248 2.931006 ESP Fit Center 1910 is at -2.132336 3.342042 2.931006 ESP Fit Center 1911 is at -2.343297 2.976647 2.931006 ESP Fit Center 1912 is at -2.416563 2.561136 2.931006 ESP Fit Center 1913 is at -2.343297 2.145624 2.931006 ESP Fit Center 1914 is at -2.132336 1.780229 2.931006 ESP Fit Center 1915 is at -1.809126 1.509024 2.931006 ESP Fit Center 1916 is at -1.412649 1.364718 2.931006 ESP Fit Center 1917 is at -0.990728 1.364718 2.931006 ESP Fit Center 1918 is at -0.594251 1.509024 2.931006 ESP Fit Center 1919 is at -0.271041 1.780229 2.931006 ESP Fit Center 1920 is at -0.060080 2.145624 2.931006 ESP Fit Center 1921 is at 0.375608 2.561136 2.721762 ESP Fit Center 1922 is at 0.321863 2.969370 2.721762 ESP Fit Center 1923 is at 0.164290 3.349784 2.721762 ESP Fit Center 1924 is at -0.086372 3.676453 2.721762 ESP Fit Center 1925 is at -0.413040 3.927114 2.721762 ESP Fit Center 1926 is at -0.793454 4.084687 2.721762 ESP Fit Center 1927 is at -1.201688 4.138432 2.721762 ESP Fit Center 1928 is at -1.609923 4.084687 2.721762 ESP Fit Center 1929 is at -1.990337 3.927114 2.721762 ESP Fit Center 1930 is at -2.317005 3.676453 2.721762 ESP Fit Center 1931 is at -2.567667 3.349784 2.721762 ESP Fit Center 1932 is at -2.725240 2.969370 2.721762 ESP Fit Center 1933 is at -2.778985 2.561136 2.721762 ESP Fit Center 1934 is at -2.725240 2.152901 2.721762 ESP Fit Center 1935 is at -2.567667 1.772488 2.721762 ESP Fit Center 1936 is at -2.317005 1.445819 2.721762 ESP Fit Center 1937 is at -1.990337 1.195157 2.721762 ESP Fit Center 1938 is at -1.609923 1.037585 2.721762 ESP Fit Center 1939 is at -1.201688 0.983840 2.721762 ESP Fit Center 1940 is at -0.793454 1.037585 2.721762 ESP Fit Center 1941 is at -0.413040 1.195157 2.721762 ESP Fit Center 1942 is at -0.086372 1.445819 2.721762 ESP Fit Center 1943 is at 0.164290 1.772488 2.721762 ESP Fit Center 1944 is at 0.321863 2.152901 2.721762 ESP Fit Center 1945 is at 0.658269 2.970543 2.460838 ESP Fit Center 1946 is at 0.526774 3.360808 2.460838 ESP Fit Center 1947 is at 0.314458 3.713680 2.460838 ESP Fit Center 1948 is at 0.031248 4.012661 2.460838 ESP Fit Center 1949 is at -0.309612 4.243770 2.460838 ESP Fit Center 1950 is at -0.692185 4.396201 2.460838 ESP Fit Center 1951 is at -1.098582 4.462826 2.460838 ESP Fit Center 1952 is at -1.509800 4.440531 2.460838 ESP Fit Center 1953 is at -1.906611 4.330357 2.460838 ESP Fit Center 1954 is at -2.270460 4.137456 2.460838 ESP Fit Center 1955 is at -2.584335 3.870848 2.460838 ESP Fit Center 1956 is at -2.833559 3.543000 2.460838 ESP Fit Center 1957 is at -3.006478 3.169240 2.460838 ESP Fit Center 1958 is at -3.095008 2.767047 2.460838 ESP Fit Center 1959 is at -3.095008 2.355225 2.460838 ESP Fit Center 1960 is at -3.006478 1.953031 2.460838 ESP Fit Center 1961 is at -2.833559 1.579272 2.460838 ESP Fit Center 1962 is at -2.584335 1.251423 2.460838 ESP Fit Center 1963 is at -2.270460 0.984816 2.460838 ESP Fit Center 1964 is at -1.906611 0.791915 2.460838 ESP Fit Center 1965 is at -1.509800 0.681741 2.460838 ESP Fit Center 1966 is at -0.309612 0.878501 2.460838 ESP Fit Center 1967 is at 0.031248 1.109611 2.460838 ESP Fit Center 1968 is at 0.830628 3.374752 2.154065 ESP Fit Center 1969 is at 0.639923 3.744668 2.154065 ESP Fit Center 1970 is at 0.382658 4.071807 2.154065 ESP Fit Center 1971 is at 0.068130 4.344347 2.154065 ESP Fit Center 1972 is at -0.292292 4.552437 2.154065 ESP Fit Center 1973 is at -0.685582 4.688556 2.154065 ESP Fit Center 1974 is at -1.097526 4.747784 2.154065 ESP Fit Center 1975 is at -1.513234 4.727982 2.154065 ESP Fit Center 1976 is at -1.917682 4.629864 2.154065 ESP Fit Center 1977 is at -2.296253 4.456976 2.154065 ESP Fit Center 1978 is at -2.635263 4.215568 2.154065 ESP Fit Center 1979 is at -2.922459 3.914365 2.154065 ESP Fit Center 1980 is at -3.147463 3.564252 2.154065 ESP Fit Center 1981 is at -3.302142 3.177884 2.154065 ESP Fit Center 1982 is at -3.380904 2.769226 2.154065 ESP Fit Center 1983 is at -3.380904 2.353046 2.154065 ESP Fit Center 1984 is at -3.302142 1.944387 2.154065 ESP Fit Center 1985 is at -3.147463 1.558019 2.154065 ESP Fit Center 1986 is at -2.922459 1.207907 2.154065 ESP Fit Center 1987 is at 1.084668 3.368957 1.808293 ESP Fit Center 1988 is at 0.915258 3.743733 1.808293 ESP Fit Center 1989 is at 0.684948 4.084488 1.808293 ESP Fit Center 1990 is at 0.400363 4.381419 1.808293 ESP Fit Center 1991 is at 0.069689 4.625984 1.808293 ESP Fit Center 1992 is at -0.297560 4.811147 1.808293 ESP Fit Center 1993 is at -0.690818 4.931581 1.808293 ESP Fit Center 1994 is at -1.098774 4.983822 1.808293 ESP Fit Center 1995 is at -1.509690 4.966366 1.808293 ESP Fit Center 1996 is at -1.911746 4.879717 1.808293 ESP Fit Center 1997 is at -2.293375 4.726366 1.808293 ESP Fit Center 1998 is at -2.643597 4.510725 1.808293 ESP Fit Center 1999 is at -2.952339 4.238998 1.808293 ESP Fit Center 2000 is at -3.210718 3.919002 1.808293 ESP Fit Center 2001 is at -3.411300 3.559943 1.808293 ESP Fit Center 2002 is at -3.548316 3.172150 1.808293 ESP Fit Center 2003 is at -3.617824 2.766779 1.808293 ESP Fit Center 2004 is at -3.617824 2.355492 1.808293 ESP Fit Center 2005 is at -3.548316 1.950121 1.808293 ESP Fit Center 2006 is at 1.277189 3.366572 1.431248 ESP Fit Center 2007 is at 1.120672 3.744438 1.431248 ESP Fit Center 2008 is at 0.906971 4.093167 1.431248 ESP Fit Center 2009 is at 0.641348 4.404172 1.431248 ESP Fit Center 2010 is at 0.330342 4.669795 1.431248 ESP Fit Center 2011 is at -0.018386 4.883497 1.431248 ESP Fit Center 2012 is at -0.396252 5.040014 1.431248 ESP Fit Center 2013 is at -0.793950 5.135493 1.431248 ESP Fit Center 2014 is at -1.201688 5.167582 1.431248 ESP Fit Center 2015 is at -1.609427 5.135493 1.431248 ESP Fit Center 2016 is at -2.007125 5.040014 1.431248 ESP Fit Center 2017 is at -2.384990 4.883497 1.431248 ESP Fit Center 2018 is at -2.733719 4.669795 1.431248 ESP Fit Center 2019 is at -3.044724 4.404172 1.431248 ESP Fit Center 2020 is at -3.310348 4.093167 1.431248 ESP Fit Center 2021 is at -3.524049 3.744438 1.431248 ESP Fit Center 2022 is at -3.680566 3.366572 1.431248 ESP Fit Center 2023 is at -3.776045 2.968874 1.431248 ESP Fit Center 2024 is at -3.808135 2.561136 1.431248 ESP Fit Center 2025 is at -3.776045 2.153398 1.431248 ESP Fit Center 2026 is at 1.244663 3.772401 1.031352 ESP Fit Center 2027 is at 1.031094 4.131640 1.031352 ESP Fit Center 2028 is at 0.765190 4.454067 1.031352 ESP Fit Center 2029 is at 0.453185 4.732125 1.031352 ESP Fit Center 2030 is at 0.102390 4.959297 1.031352 ESP Fit Center 2031 is at -0.278971 5.130258 1.031352 ESP Fit Center 2032 is at -0.681959 5.241001 1.031352 ESP Fit Center 2033 is at -1.097130 5.288931 1.031352 ESP Fit Center 2034 is at -1.514751 5.272923 1.031352 ESP Fit Center 2035 is at -1.925034 5.193353 1.031352 ESP Fit Center 2036 is at -2.318363 5.052086 1.031352 ESP Fit Center 2037 is at -2.685518 4.852434 1.031352 ESP Fit Center 2038 is at -3.017893 4.599075 1.031352 ESP Fit Center 2039 is at -3.307698 4.297949 1.031352 ESP Fit Center 2040 is at -3.548140 3.956114 1.031352 ESP Fit Center 2041 is at -3.733583 3.581581 1.031352 ESP Fit Center 2042 is at -3.859680 3.183130 1.031352 ESP Fit Center 2043 is at -3.923477 2.770100 1.031352 ESP Fit Center 2044 is at -3.923477 2.352172 1.031352 ESP Fit Center 2045 is at 1.313970 3.772613 0.617537 ESP Fit Center 2046 is at 1.105311 4.134021 0.617537 ESP Fit Center 2047 is at 0.845117 4.460294 0.617537 ESP Fit Center 2048 is at 0.539201 4.744143 0.617537 ESP Fit Center 2049 is at 0.194397 4.979226 0.617537 ESP Fit Center 2050 is at -0.181594 5.160294 0.617537 ESP Fit Center 2051 is at -0.580372 5.283301 0.617537 ESP Fit Center 2052 is at -0.993029 5.345499 0.617537 ESP Fit Center 2053 is at -1.410348 5.345499 0.617537 ESP Fit Center 2054 is at -1.823005 5.283301 0.617537 ESP Fit Center 2055 is at -2.221783 5.160294 0.617537 ESP Fit Center 2056 is at -2.597774 4.979226 0.617537 ESP Fit Center 2057 is at -2.942578 4.744143 0.617537 ESP Fit Center 2058 is at -3.248494 4.460294 0.617537 ESP Fit Center 2059 is at -3.508688 4.134021 0.617537 ESP Fit Center 2060 is at -3.717347 3.772613 0.617537 ESP Fit Center 2061 is at -3.869811 3.384142 0.617537 ESP Fit Center 2062 is at -3.962673 2.977287 0.617537 ESP Fit Center 2063 is at -3.993859 2.561136 0.617537 ESP Fit Center 2064 is at 1.105311 4.134021 0.199049 ESP Fit Center 2065 is at 0.845117 4.460294 0.199049 ESP Fit Center 2066 is at 0.539201 4.744143 0.199049 ESP Fit Center 2067 is at 0.194397 4.979226 0.199049 ESP Fit Center 2068 is at -0.181594 5.160294 0.199049 ESP Fit Center 2069 is at -0.580372 5.283301 0.199049 ESP Fit Center 2070 is at -0.993029 5.345499 0.199049 ESP Fit Center 2071 is at -1.410348 5.345499 0.199049 ESP Fit Center 2072 is at -1.823005 5.283301 0.199049 ESP Fit Center 2073 is at -2.221783 5.160294 0.199049 ESP Fit Center 2074 is at -2.597774 4.979226 0.199049 ESP Fit Center 2075 is at -2.942578 4.744143 0.199049 ESP Fit Center 2076 is at -3.248494 4.460294 0.199049 ESP Fit Center 2077 is at -3.508688 4.134021 0.199049 ESP Fit Center 2078 is at -3.717347 3.772613 0.199049 ESP Fit Center 2079 is at -3.869811 3.384142 0.199049 ESP Fit Center 2080 is at -3.962673 2.977287 0.199049 ESP Fit Center 2081 is at -3.993859 2.561136 0.199049 ESP Fit Center 2082 is at 1.031094 4.131640 -0.214765 ESP Fit Center 2083 is at 0.765190 4.454067 -0.214765 ESP Fit Center 2084 is at 0.453185 4.732125 -0.214765 ESP Fit Center 2085 is at 0.102390 4.959297 -0.214765 ESP Fit Center 2086 is at -0.278971 5.130258 -0.214765 ESP Fit Center 2087 is at -0.681959 5.241001 -0.214765 ESP Fit Center 2088 is at -1.097130 5.288931 -0.214765 ESP Fit Center 2089 is at -1.514751 5.272923 -0.214765 ESP Fit Center 2090 is at -1.925034 5.193353 -0.214765 ESP Fit Center 2091 is at -2.318363 5.052086 -0.214765 ESP Fit Center 2092 is at -2.685518 4.852434 -0.214765 ESP Fit Center 2093 is at -3.017893 4.599075 -0.214765 ESP Fit Center 2094 is at -3.307698 4.297949 -0.214765 ESP Fit Center 2095 is at -3.548140 3.956114 -0.214765 ESP Fit Center 2096 is at -3.733583 3.581581 -0.214765 ESP Fit Center 2097 is at -3.859680 3.183130 -0.214765 ESP Fit Center 2098 is at -3.923477 2.770100 -0.214765 ESP Fit Center 2099 is at -3.923477 2.352172 -0.214765 ESP Fit Center 2100 is at 0.641348 4.404172 -0.614662 ESP Fit Center 2101 is at 0.330342 4.669795 -0.614662 ESP Fit Center 2102 is at -0.018386 4.883497 -0.614662 ESP Fit Center 2103 is at -0.396252 5.040014 -0.614662 ESP Fit Center 2104 is at -0.793950 5.135493 -0.614662 ESP Fit Center 2105 is at -1.201688 5.167582 -0.614662 ESP Fit Center 2106 is at -1.609427 5.135493 -0.614662 ESP Fit Center 2107 is at -2.007125 5.040014 -0.614662 ESP Fit Center 2108 is at -2.384990 4.883497 -0.614662 ESP Fit Center 2109 is at -2.733719 4.669795 -0.614662 ESP Fit Center 2110 is at -3.044724 4.404172 -0.614662 ESP Fit Center 2111 is at -3.310348 4.093167 -0.614662 ESP Fit Center 2112 is at -3.524049 3.744438 -0.614662 ESP Fit Center 2113 is at -3.680566 3.366572 -0.614662 ESP Fit Center 2114 is at -3.776045 2.968874 -0.614662 ESP Fit Center 2115 is at -3.808135 2.561136 -0.614662 ESP Fit Center 2116 is at -3.776045 2.153398 -0.614662 ESP Fit Center 2117 is at 0.684948 4.084488 -0.991707 ESP Fit Center 2118 is at 0.400363 4.381419 -0.991707 ESP Fit Center 2119 is at 0.069689 4.625984 -0.991707 ESP Fit Center 2120 is at -0.297560 4.811147 -0.991707 ESP Fit Center 2121 is at -0.690818 4.931581 -0.991707 ESP Fit Center 2122 is at -1.098774 4.983822 -0.991707 ESP Fit Center 2123 is at -1.509690 4.966366 -0.991707 ESP Fit Center 2124 is at -1.911746 4.879717 -0.991707 ESP Fit Center 2125 is at -2.293375 4.726366 -0.991707 ESP Fit Center 2126 is at -2.643597 4.510725 -0.991707 ESP Fit Center 2127 is at -2.952339 4.238998 -0.991707 ESP Fit Center 2128 is at -3.210718 3.919002 -0.991707 ESP Fit Center 2129 is at -3.411300 3.559943 -0.991707 ESP Fit Center 2130 is at -3.548316 3.172150 -0.991707 ESP Fit Center 2131 is at -3.617824 2.766779 -0.991707 ESP Fit Center 2132 is at -3.617824 2.355492 -0.991707 ESP Fit Center 2133 is at -3.548316 1.950121 -0.991707 ESP Fit Center 2134 is at 0.382658 4.071807 -1.337478 ESP Fit Center 2135 is at 0.068130 4.344347 -1.337478 ESP Fit Center 2136 is at -0.292292 4.552437 -1.337478 ESP Fit Center 2137 is at -0.685582 4.688556 -1.337478 ESP Fit Center 2138 is at -1.097526 4.747784 -1.337478 ESP Fit Center 2139 is at -1.513234 4.727982 -1.337478 ESP Fit Center 2140 is at -1.917682 4.629864 -1.337478 ESP Fit Center 2141 is at -2.296253 4.456976 -1.337478 ESP Fit Center 2142 is at -2.635263 4.215568 -1.337478 ESP Fit Center 2143 is at -2.922459 3.914365 -1.337478 ESP Fit Center 2144 is at -3.147463 3.564252 -1.337478 ESP Fit Center 2145 is at -3.302142 3.177884 -1.337478 ESP Fit Center 2146 is at -3.380904 2.769226 -1.337478 ESP Fit Center 2147 is at -3.380904 2.353046 -1.337478 ESP Fit Center 2148 is at -3.302142 1.944387 -1.337478 ESP Fit Center 2149 is at 0.314458 3.713680 -1.644252 ESP Fit Center 2150 is at 0.031248 4.012661 -1.644252 ESP Fit Center 2151 is at -0.309612 4.243770 -1.644252 ESP Fit Center 2152 is at -0.692185 4.396201 -1.644252 ESP Fit Center 2153 is at -1.098582 4.462826 -1.644252 ESP Fit Center 2154 is at -1.509800 4.440531 -1.644252 ESP Fit Center 2155 is at -1.906611 4.330357 -1.644252 ESP Fit Center 2156 is at -2.270460 4.137456 -1.644252 ESP Fit Center 2157 is at -2.584335 3.870848 -1.644252 ESP Fit Center 2158 is at -2.833559 3.543000 -1.644252 ESP Fit Center 2159 is at -3.006478 3.169240 -1.644252 ESP Fit Center 2160 is at -3.095008 2.767047 -1.644252 ESP Fit Center 2161 is at -3.095008 2.355225 -1.644252 ESP Fit Center 2162 is at -3.006478 1.953031 -1.644252 ESP Fit Center 2163 is at 0.164290 3.349784 -1.905175 ESP Fit Center 2164 is at -0.086372 3.676453 -1.905175 ESP Fit Center 2165 is at -0.413040 3.927114 -1.905175 ESP Fit Center 2166 is at -0.793454 4.084687 -1.905175 ESP Fit Center 2167 is at -1.201688 4.138432 -1.905175 ESP Fit Center 2168 is at -1.609923 4.084687 -1.905175 ESP Fit Center 2169 is at -1.990337 3.927114 -1.905175 ESP Fit Center 2170 is at -2.317005 3.676453 -1.905175 ESP Fit Center 2171 is at -2.567667 3.349784 -1.905175 ESP Fit Center 2172 is at -2.725240 2.969370 -1.905175 ESP Fit Center 2173 is at -2.778985 2.561136 -1.905175 ESP Fit Center 2174 is at -2.725240 2.152901 -1.905175 ESP Fit Center 2175 is at -2.567667 1.772488 -1.905175 ESP Fit Center 2176 is at -2.317005 1.445819 -1.905175 ESP Fit Center 2177 is at 0.013186 2.561136 -2.114420 ESP Fit Center 2178 is at -0.060080 2.976647 -2.114420 ESP Fit Center 2179 is at -0.271041 3.342042 -2.114420 ESP Fit Center 2180 is at -0.594251 3.613248 -2.114420 ESP Fit Center 2181 is at -0.990728 3.757554 -2.114420 ESP Fit Center 2182 is at -1.412649 3.757554 -2.114420 ESP Fit Center 2183 is at -1.809126 3.613248 -2.114420 ESP Fit Center 2184 is at -2.132336 3.342042 -2.114420 ESP Fit Center 2185 is at -2.343297 2.976647 -2.114420 ESP Fit Center 2186 is at -2.416563 2.561136 -2.114420 ESP Fit Center 2187 is at -2.343297 2.145624 -2.114420 ESP Fit Center 2188 is at -2.132336 1.780229 -2.114420 ESP Fit Center 2189 is at -1.809126 1.509024 -2.114420 ESP Fit Center 2190 is at -0.271041 1.780229 -2.114420 ESP Fit Center 2191 is at -0.060080 2.145624 -2.114420 ESP Fit Center 2192 is at -0.376374 2.561136 -2.267311 ESP Fit Center 2193 is at -0.486945 2.973793 -2.267311 ESP Fit Center 2194 is at -0.789031 3.275879 -2.267311 ESP Fit Center 2195 is at -1.201688 3.386450 -2.267311 ESP Fit Center 2196 is at -1.614346 3.275879 -2.267311 ESP Fit Center 2197 is at -1.916432 2.973793 -2.267311 ESP Fit Center 2198 is at -2.027003 2.561136 -2.267311 ESP Fit Center 2199 is at -1.916432 2.148479 -2.267311 ESP Fit Center 2200 is at -1.614346 1.846392 -2.267311 ESP Fit Center 2201 is at -1.201688 1.735821 -2.267311 ESP Fit Center 2202 is at -0.789031 1.846392 -2.267311 ESP Fit Center 2203 is at -0.486945 2.148479 -2.267311 ESP Fit Center 2204 is at -0.784370 2.561136 -2.360433 ESP Fit Center 2205 is at -0.993029 2.922544 -2.360433 ESP Fit Center 2206 is at -1.410348 2.922544 -2.360433 ESP Fit Center 2207 is at -1.619007 2.561136 -2.360433 ESP Fit Center 2208 is at -1.410348 2.199727 -2.360433 ESP Fit Center 2209 is at -0.993029 2.199727 -2.360433 ESP Fit Center 2210 is at -1.201688 2.561136 -2.391707 ESP Fit Center 2211 is at 0.234112 0.320582 2.270828 ESP Fit Center 2212 is at 0.025734 -0.040339 2.234367 ESP Fit Center 2213 is at 0.442489 -0.040339 2.234367 ESP Fit Center 2214 is at -0.176313 -0.390294 2.126091 ESP Fit Center 2215 is at 0.234112 -0.500267 2.126091 ESP Fit Center 2216 is at -0.365888 1.359812 -2.207632 ESP Fit Center 2217 is at -0.893520 -0.089843 -2.207632 ESP Fit Center 2218 is at -0.476764 0.731006 -2.384434 ESP Fit Center 2219 is at -0.586737 0.320582 -2.384434 ESP Fit Center 2220 is at -0.476764 -0.089843 -2.384434 ESP Fit Center 2221 is at -0.182644 0.320582 -2.492710 ESP Fit Center 2222 is at 0.025734 -0.040339 -2.492710 ESP Fit Center 2223 is at 0.107872 -0.717075 2.111232 ESP Fit Center 2224 is at -0.100506 -1.077996 2.111232 ESP Fit Center 2225 is at -0.394625 -0.667572 2.002956 ESP Fit Center 2226 is at -0.504598 -1.077996 2.002956 ESP Fit Center 2227 is at -0.603003 -0.306651 -2.330768 ESP Fit Center 2228 is at 1.137098 -1.077996 -2.507569 ESP Fit Center 2229 is at -0.094174 -0.367121 -2.507569 ESP Fit Center 2230 is at -0.394625 -0.667572 -2.507569 ESP Fit Center 2231 is at 0.316250 -1.898845 -2.507569 ESP Fit Center 2232 is at 0.726674 -1.788872 -2.507569 ESP Fit Center 2233 is at 0.733006 -1.077996 -2.615845 ESP Fit Center 2234 is at 0.524628 -0.717075 -2.615845 ESP Fit Center 2235 is at 0.107872 -0.717075 -2.615845 ESP Fit Center 2236 is at -0.100506 -1.077996 -2.615845 ESP Fit Center 2237 is at 0.107872 -1.438917 -2.615845 ESP Fit Center 2238 is at 0.524628 -1.438917 -2.615845 ESP Fit Center 2239 is at 0.316250 -1.077996 -2.652307 ESP Fit Center 2240 is at -0.789604 -1.827446 2.102940 ESP Fit Center 2241 is at -0.372848 -1.827446 2.066479 ESP Fit Center 2242 is at -0.581226 -1.466526 2.066479 ESP Fit Center 2243 is at -0.997982 -1.466526 2.066479 ESP Fit Center 2244 is at -1.206359 -1.827446 2.066479 ESP Fit Center 2245 is at -0.997982 -2.188367 2.066479 ESP Fit Center 2246 is at -0.581226 -2.188367 2.066479 ESP Fit Center 2247 is at -0.789604 -1.006598 1.958202 ESP Fit Center 2248 is at -1.500479 -2.237871 1.958202 ESP Fit Center 2249 is at -1.200028 -2.538322 1.958202 ESP Fit Center 2250 is at -0.789604 -2.648295 1.958202 ESP Fit Center 2251 is at -1.389604 -2.866677 1.781401 ESP Fit Center 2252 is at -0.997982 -3.009216 1.781401 ESP Fit Center 2253 is at -1.679243 -3.087778 1.541447 ESP Fit Center 2254 is at -1.306219 -3.281063 1.541447 ESP Fit Center 2255 is at -0.894881 -3.366540 1.541447 ESP Fit Center 2256 is at -1.708857 -3.419640 1.245630 ESP Fit Center 2257 is at -2.061842 -3.471043 0.902940 ESP Fit Center 2258 is at -2.051264 -3.164728 -1.839750 ESP Fit Center 2259 is at -1.986286 -2.801020 -2.135567 ESP Fit Center 2260 is at -1.679243 -3.087778 -2.135567 ESP Fit Center 2261 is at -0.997982 -0.645677 -2.375521 ESP Fit Center 2262 is at -1.917235 -2.237871 -2.375521 ESP Fit Center 2263 is at -1.708857 -2.598792 -2.375521 ESP Fit Center 2264 is at -1.389604 -2.866677 -2.375521 ESP Fit Center 2265 is at -0.997982 -3.009216 -2.375521 ESP Fit Center 2266 is at -0.581226 -3.009216 -2.375521 ESP Fit Center 2267 is at -0.189604 -2.866677 -2.375521 ESP Fit Center 2268 is at 0.129650 -2.598792 -2.375521 ESP Fit Center 2269 is at 0.031245 -1.827446 -2.552322 ESP Fit Center 2270 is at -0.379180 -1.116571 -2.552322 ESP Fit Center 2271 is at -0.789604 -1.006598 -2.552322 ESP Fit Center 2272 is at -1.200028 -1.116571 -2.552322 ESP Fit Center 2273 is at -1.500479 -1.417022 -2.552322 ESP Fit Center 2274 is at -1.610452 -1.827446 -2.552322 ESP Fit Center 2275 is at -1.500479 -2.237871 -2.552322 ESP Fit Center 2276 is at -1.200028 -2.538322 -2.552322 ESP Fit Center 2277 is at -0.789604 -2.648295 -2.552322 ESP Fit Center 2278 is at -0.379180 -2.538322 -2.552322 ESP Fit Center 2279 is at -0.078728 -2.237871 -2.552322 ESP Fit Center 2280 is at -0.372848 -1.827446 -2.660599 ESP Fit Center 2281 is at -0.581226 -1.466526 -2.660599 ESP Fit Center 2282 is at -0.997982 -1.466526 -2.660599 ESP Fit Center 2283 is at -1.206359 -1.827446 -2.660599 ESP Fit Center 2284 is at -0.997982 -2.188367 -2.660599 ESP Fit Center 2285 is at -0.581226 -2.188367 -2.660599 ESP Fit Center 2286 is at -0.789604 -1.827446 -2.697060 ESP Fit Center 2287 is at 1.617672 3.546174 0.691915 ESP Fit Center 2288 is at 1.976759 3.604357 0.327871 ESP Fit Center 2289 is at 1.607503 3.798158 0.327871 ESP Fit Center 2290 is at 2.161173 3.644191 -0.077945 ESP Fit Center 2291 is at 1.806256 3.867199 -0.077945 ESP Fit Center 2292 is at 1.410614 4.005641 -0.077945 ESP Fit Center 2293 is at 2.237068 3.644062 -0.505185 ESP Fit Center 2294 is at 1.893430 3.877054 -0.505185 ESP Fit Center 2295 is at 1.507740 4.030726 -0.505185 ESP Fit Center 2296 is at 1.098033 4.097895 -0.505185 ESP Fit Center 2297 is at 2.457566 3.347797 -0.932426 ESP Fit Center 2298 is at 2.161173 3.644191 -0.932426 ESP Fit Center 2299 is at 1.806256 3.867199 -0.932426 ESP Fit Center 2300 is at 1.410614 4.005641 -0.932426 ESP Fit Center 2301 is at 0.994086 4.052572 -0.932426 ESP Fit Center 2302 is at 2.288905 3.327820 -1.338242 ESP Fit Center 2303 is at 1.976759 3.604357 -1.338242 ESP Fit Center 2304 is at 1.607503 3.798158 -1.338242 ESP Fit Center 2305 is at 1.202598 3.897958 -1.338242 ESP Fit Center 2306 is at 0.785574 3.897958 -1.338242 ESP Fit Center 2307 is at 1.977108 3.315179 -1.702286 ESP Fit Center 2308 is at 1.617672 3.546174 -1.702286 ESP Fit Center 2309 is at 1.207717 3.666548 -1.702286 ESP Fit Center 2310 is at 0.780455 3.666548 -1.702286 ESP Fit Center 2311 is at 0.370500 3.546174 -1.702286 ESP Fit Center 2312 is at 1.592636 3.217430 -2.006302 ESP Fit Center 2313 is at 1.201960 3.359624 -2.006302 ESP Fit Center 2314 is at 0.786212 3.359624 -2.006302 ESP Fit Center 2315 is at 0.395536 3.217430 -2.006302 ESP Fit Center 2316 is at 0.994086 3.013767 -2.235046 ESP Fit Center 2317 is at 0.577558 2.902159 -2.235046 ESP Fit Center 2318 is at 0.272638 2.597239 -2.235046 ESP Fit Center 2319 is at 3.848069 2.440619 2.305889 ESP Fit Center 2320 is at 3.543149 2.745539 2.305889 ESP Fit Center 2321 is at 4.323721 2.024091 2.077145 ESP Fit Center 2322 is at 4.251527 2.433523 2.077145 ESP Fit Center 2323 is at 4.043653 2.793572 2.077145 ESP Fit Center 2324 is at 3.725171 3.060810 2.077145 ESP Fit Center 2325 is at 3.334495 3.203004 2.077145 ESP Fit Center 2326 is at 4.627737 2.024091 1.773129 ESP Fit Center 2327 is at 4.566931 2.447004 1.773129 ESP Fit Center 2328 is at 4.389440 2.835655 1.773129 ESP Fit Center 2329 is at 4.109643 3.158559 1.773129 ESP Fit Center 2330 is at 3.750207 3.389554 1.773129 ESP Fit Center 2331 is at 3.340252 3.509928 1.773129 ESP Fit Center 2332 is at 2.912990 3.509928 1.773129 ESP Fit Center 2333 is at 4.566931 1.601177 1.773129 ESP Fit Center 2334 is at 4.856481 2.024091 1.409086 ESP Fit Center 2335 is at 4.806214 2.438073 1.409086 ESP Fit Center 2336 is at 4.658336 2.827997 1.409086 ESP Fit Center 2337 is at 4.421440 3.171200 1.409086 ESP Fit Center 2338 is at 4.109293 3.447738 1.409086 ESP Fit Center 2339 is at 3.740038 3.641538 1.409086 ESP Fit Center 2340 is at 3.335132 3.741338 1.409086 ESP Fit Center 2341 is at 2.918109 3.741338 1.409086 ESP Fit Center 2342 is at 2.513204 3.641538 1.409086 ESP Fit Center 2343 is at 4.806214 1.610108 1.409086 ESP Fit Center 2344 is at 4.998482 2.024091 1.003269 ESP Fit Center 2345 is at 4.951551 2.440619 1.003269 ESP Fit Center 2346 is at 4.813110 2.836261 1.003269 ESP Fit Center 2347 is at 4.590101 3.191177 1.003269 ESP Fit Center 2348 is at 4.293707 3.487571 1.003269 ESP Fit Center 2349 is at 3.938791 3.710580 1.003269 ESP Fit Center 2350 is at 3.543149 3.849021 1.003269 ESP Fit Center 2351 is at 3.126621 3.895952 1.003269 ESP Fit Center 2352 is at 2.710092 3.849021 1.003269 ESP Fit Center 2353 is at 2.314450 3.710580 1.003269 ESP Fit Center 2354 is at 4.813110 1.211920 1.003269 ESP Fit Center 2355 is at 4.951551 1.607562 1.003269 ESP Fit Center 2356 is at 5.046621 2.024091 0.576029 ESP Fit Center 2357 is at 5.001732 2.436834 0.576029 ESP Fit Center 2358 is at 4.869165 2.830278 0.576029 ESP Fit Center 2359 is at 4.655119 3.186025 0.576029 ESP Fit Center 2360 is at 4.369602 3.487442 0.576029 ESP Fit Center 2361 is at 4.025965 3.720434 0.576029 ESP Fit Center 2362 is at 3.640275 3.874107 0.576029 ESP Fit Center 2363 is at 3.230567 3.941275 0.576029 ESP Fit Center 2364 is at 2.815999 3.918798 0.576029 ESP Fit Center 2365 is at 2.415955 3.807726 0.576029 ESP Fit Center 2366 is at 4.869165 1.217904 0.576029 ESP Fit Center 2367 is at 5.001732 1.611347 0.576029 ESP Fit Center 2368 is at 4.998482 2.024091 0.148789 ESP Fit Center 2369 is at 4.951551 2.440619 0.148789 ESP Fit Center 2370 is at 4.813110 2.836261 0.148789 ESP Fit Center 2371 is at 4.590101 3.191177 0.148789 ESP Fit Center 2372 is at 4.293707 3.487571 0.148789 ESP Fit Center 2373 is at 3.938791 3.710580 0.148789 ESP Fit Center 2374 is at 3.543149 3.849021 0.148789 ESP Fit Center 2375 is at 3.126621 3.895952 0.148789 ESP Fit Center 2376 is at 2.710092 3.849021 0.148789 ESP Fit Center 2377 is at 2.314450 3.710580 0.148789 ESP Fit Center 2378 is at 4.813110 1.211920 0.148789 ESP Fit Center 2379 is at 4.951551 1.607562 0.148789 ESP Fit Center 2380 is at 4.856481 2.024091 -0.257028 ESP Fit Center 2381 is at 4.806214 2.438073 -0.257028 ESP Fit Center 2382 is at 4.658336 2.827997 -0.257028 ESP Fit Center 2383 is at 4.421440 3.171200 -0.257028 ESP Fit Center 2384 is at 4.109293 3.447738 -0.257028 ESP Fit Center 2385 is at 3.740038 3.641538 -0.257028 ESP Fit Center 2386 is at 3.335132 3.741338 -0.257028 ESP Fit Center 2387 is at 2.918109 3.741338 -0.257028 ESP Fit Center 2388 is at 2.513204 3.641538 -0.257028 ESP Fit Center 2389 is at 4.658336 1.220185 -0.257028 ESP Fit Center 2390 is at 4.806214 1.610108 -0.257028 ESP Fit Center 2391 is at 4.627737 2.024091 -0.621072 ESP Fit Center 2392 is at 4.566931 2.447004 -0.621072 ESP Fit Center 2393 is at 4.389440 2.835655 -0.621072 ESP Fit Center 2394 is at 4.109643 3.158559 -0.621072 ESP Fit Center 2395 is at 3.750207 3.389554 -0.621072 ESP Fit Center 2396 is at 3.340252 3.509928 -0.621072 ESP Fit Center 2397 is at 2.912990 3.509928 -0.621072 ESP Fit Center 2398 is at 2.503034 3.389554 -0.621072 ESP Fit Center 2399 is at 4.389440 1.212526 -0.621072 ESP Fit Center 2400 is at 4.566931 1.601177 -0.621072 ESP Fit Center 2401 is at 4.323721 2.024091 -0.925088 ESP Fit Center 2402 is at 4.251527 2.433523 -0.925088 ESP Fit Center 2403 is at 4.043653 2.793572 -0.925088 ESP Fit Center 2404 is at 3.725171 3.060810 -0.925088 ESP Fit Center 2405 is at 3.334495 3.203004 -0.925088 ESP Fit Center 2406 is at 2.918746 3.203004 -0.925088 ESP Fit Center 2407 is at 4.251527 1.614658 -0.925088 ESP Fit Center 2408 is at 3.959677 2.024091 -1.153831 ESP Fit Center 2409 is at 3.848069 2.440619 -1.153831 ESP Fit Center 2410 is at 3.543149 2.745539 -1.153831 ESP Fit Center 2411 is at 3.126621 2.857147 -1.153831 ESP Fit Center 2412 is at 1.856985 1.538268 3.612954 ESP Fit Center 2413 is at 2.284225 1.538268 3.564816 ESP Fit Center 2414 is at 2.070605 1.908269 3.564816 ESP Fit Center 2415 is at 1.643365 1.908269 3.564816 ESP Fit Center 2416 is at 1.429745 1.538268 3.564816 ESP Fit Center 2417 is at 1.643365 1.168267 3.564816 ESP Fit Center 2418 is at 2.070605 1.168267 3.564816 ESP Fit Center 2419 is at 2.690042 1.538268 3.422814 ESP Fit Center 2420 is at 2.578433 1.954796 3.422814 ESP Fit Center 2421 is at 2.273513 2.259716 3.422814 ESP Fit Center 2422 is at 1.856985 2.371324 3.422814 ESP Fit Center 2423 is at 1.440457 2.259716 3.422814 ESP Fit Center 2424 is at 1.135537 1.954796 3.422814 ESP Fit Center 2425 is at 1.023928 1.538268 3.422814 ESP Fit Center 2426 is at 1.135537 1.121739 3.422814 ESP Fit Center 2427 is at 1.440457 0.816819 3.422814 ESP Fit Center 2428 is at 1.856985 0.705211 3.422814 ESP Fit Center 2429 is at 2.273513 0.816819 3.422814 ESP Fit Center 2430 is at 2.578433 1.121739 3.422814 ESP Fit Center 2431 is at 3.054085 1.538268 3.194070 ESP Fit Center 2432 is at 2.981891 1.947700 3.194070 ESP Fit Center 2433 is at 2.774017 2.307749 3.194070 ESP Fit Center 2434 is at 2.455535 2.574987 3.194070 ESP Fit Center 2435 is at 2.064859 2.717181 3.194070 ESP Fit Center 2436 is at 1.649111 2.717181 3.194070 ESP Fit Center 2437 is at 1.258435 2.574987 3.194070 ESP Fit Center 2438 is at 0.939953 2.307749 3.194070 ESP Fit Center 2439 is at 0.732079 1.947700 3.194070 ESP Fit Center 2440 is at 0.659885 1.538268 3.194070 ESP Fit Center 2441 is at 0.732079 1.128835 3.194070 ESP Fit Center 2442 is at 0.939953 0.768786 3.194070 ESP Fit Center 2443 is at 1.258435 0.501548 3.194070 ESP Fit Center 2444 is at 1.649111 0.359354 3.194070 ESP Fit Center 2445 is at 2.064859 0.359354 3.194070 ESP Fit Center 2446 is at 2.455535 0.501548 3.194070 ESP Fit Center 2447 is at 2.774017 0.768786 3.194070 ESP Fit Center 2448 is at 2.981891 1.128835 3.194070 ESP Fit Center 2449 is at 3.119804 2.349833 2.890054 ESP Fit Center 2450 is at 2.840007 2.672736 2.890054 ESP Fit Center 2451 is at 2.480571 2.903731 2.890054 ESP Fit Center 2452 is at 2.070616 3.024105 2.890054 ESP Fit Center 2453 is at 1.643354 3.024105 2.890054 ESP Fit Center 2454 is at 1.233399 2.903731 2.890054 ESP Fit Center 2455 is at 0.873963 2.672736 2.890054 ESP Fit Center 2456 is at 0.594165 2.349833 2.890054 ESP Fit Center 2457 is at 0.416674 1.961181 2.890054 ESP Fit Center 2458 is at 0.355869 1.538268 2.890054 ESP Fit Center 2459 is at 0.416674 1.115354 2.890054 ESP Fit Center 2460 is at 0.594165 0.726703 2.890054 ESP Fit Center 2461 is at 0.873963 0.403800 2.890054 ESP Fit Center 2462 is at 1.233399 0.172804 2.890054 ESP Fit Center 2463 is at 1.643354 0.052430 2.890054 ESP Fit Center 2464 is at 2.070616 0.052430 2.890054 ESP Fit Center 2465 is at 2.839658 2.961915 2.526011 ESP Fit Center 2466 is at 2.470402 3.155715 2.526011 ESP Fit Center 2467 is at 2.065497 3.255515 2.526011 ESP Fit Center 2468 is at 1.648473 3.255515 2.526011 ESP Fit Center 2469 is at 1.243568 3.155715 2.526011 ESP Fit Center 2470 is at 0.874312 2.961915 2.526011 ESP Fit Center 2471 is at 0.177391 1.124285 2.526011 ESP Fit Center 2472 is at 0.325270 0.734362 2.526011 ESP Fit Center 2473 is at 0.562166 0.391158 2.526011 ESP Fit Center 2474 is at 0.874312 0.114621 2.526011 ESP Fit Center 2475 is at 2.273513 3.363198 2.120194 ESP Fit Center 2476 is at 1.856985 3.410129 2.120194 ESP Fit Center 2477 is at 1.440457 3.363198 2.120194 ESP Fit Center 2478 is at 1.044815 3.224757 2.120194 ESP Fit Center 2479 is at 1.960932 3.455452 1.692954 ESP Fit Center 2480 is at 1.546364 3.432975 1.692954 ESP Fit Center 2481 is at -3.142361 0.942891 2.128872 ESP Fit Center 2482 is at -3.355981 0.572890 2.128872 ESP Fit Center 2483 is at -3.345269 1.294338 1.986870 ESP Fit Center 2484 is at -3.650189 0.989418 1.986870 ESP Fit Center 2485 is at -3.761797 0.572890 1.986870 ESP Fit Center 2486 is at -3.650189 0.156362 1.986870 ESP Fit Center 2487 is at -3.527291 1.609609 1.758126 ESP Fit Center 2488 is at -3.845773 1.342371 1.758126 ESP Fit Center 2489 is at -4.053647 0.982322 1.758126 ESP Fit Center 2490 is at -4.125841 0.572890 1.758126 ESP Fit Center 2491 is at -4.053647 0.163458 1.758126 ESP Fit Center 2492 is at -3.845773 -0.196591 1.758126 ESP Fit Center 2493 is at -3.911763 1.707358 1.454110 ESP Fit Center 2494 is at -4.191560 1.384455 1.454110 ESP Fit Center 2495 is at -4.369051 0.995803 1.454110 ESP Fit Center 2496 is at -4.429857 0.572890 1.454110 ESP Fit Center 2497 is at -4.369051 0.149977 1.454110 ESP Fit Center 2498 is at -4.191560 -0.238675 1.454110 ESP Fit Center 2499 is at -3.911413 1.996537 1.090067 ESP Fit Center 2500 is at -4.223560 1.719999 1.090067 ESP Fit Center 2501 is at -4.460456 1.376796 1.090067 ESP Fit Center 2502 is at -4.608334 0.986873 1.090067 ESP Fit Center 2503 is at -4.658601 0.572890 1.090067 ESP Fit Center 2504 is at -4.608334 0.158907 1.090067 ESP Fit Center 2505 is at -4.460456 -0.231016 1.090067 ESP Fit Center 2506 is at -4.095827 2.036370 0.684250 ESP Fit Center 2507 is at -4.392221 1.739977 0.684250 ESP Fit Center 2508 is at -4.615230 1.385060 0.684250 ESP Fit Center 2509 is at -4.753671 0.989418 0.684250 ESP Fit Center 2510 is at -4.800602 0.572890 0.684250 ESP Fit Center 2511 is at -4.753671 0.156362 0.684250 ESP Fit Center 2512 is at -4.615230 -0.239280 0.684250 ESP Fit Center 2513 is at -4.006220 2.162053 0.257010 ESP Fit Center 2514 is at -4.322652 1.893273 0.257010 ESP Fit Center 2515 is at -4.573906 1.562753 0.257010 ESP Fit Center 2516 is at -4.748235 1.185949 0.257010 ESP Fit Center 2517 is at -4.837485 0.780478 0.257010 ESP Fit Center 2518 is at -4.837485 0.365301 0.257010 ESP Fit Center 2519 is at -4.748235 -0.040169 0.257010 ESP Fit Center 2520 is at -4.095827 2.036370 -0.170230 ESP Fit Center 2521 is at -4.392221 1.739977 -0.170230 ESP Fit Center 2522 is at -4.615230 1.385060 -0.170230 ESP Fit Center 2523 is at -4.753671 0.989418 -0.170230 ESP Fit Center 2524 is at -4.800602 0.572890 -0.170230 ESP Fit Center 2525 is at -4.753671 0.156362 -0.170230 ESP Fit Center 2526 is at -3.911413 1.996537 -0.576047 ESP Fit Center 2527 is at -4.223560 1.719999 -0.576047 ESP Fit Center 2528 is at -4.460456 1.376796 -0.576047 ESP Fit Center 2529 is at -4.608334 0.986873 -0.576047 ESP Fit Center 2530 is at -4.658601 0.572890 -0.576047 ESP Fit Center 2531 is at -4.608334 0.158907 -0.576047 ESP Fit Center 2532 is at -3.911763 1.707358 -0.940090 ESP Fit Center 2533 is at -4.191560 1.384455 -0.940090 ESP Fit Center 2534 is at -4.369051 0.995803 -0.940090 ESP Fit Center 2535 is at -4.429857 0.572890 -0.940090 ESP Fit Center 2536 is at -4.369051 0.149977 -0.940090 ESP Fit Center 2537 is at -3.527291 1.609609 -1.244106 ESP Fit Center 2538 is at -3.845773 1.342371 -1.244106 ESP Fit Center 2539 is at -4.053647 0.982322 -1.244106 ESP Fit Center 2540 is at -4.125841 0.572890 -1.244106 ESP Fit Center 2541 is at -4.053647 0.163458 -1.244106 ESP Fit Center 2542 is at 3.686296 -3.004522 -0.669820 ESP Fit Center 2543 is at 3.870147 -2.622753 -0.669820 ESP Fit Center 2544 is at 3.554567 -3.011552 -1.073912 ESP Fit Center 2545 is at 3.751033 -2.630461 -1.073912 ESP Fit Center 2546 is at 3.567337 -2.611918 -1.453064 ESP Fit Center 2547 is at 3.142803 -2.208478 -2.091571 ESP Fit Center 2548 is at 2.478168 -1.792265 -2.508326 ESP Fit Center 2549 is at 1.246895 -1.081389 -2.508326 ESP Fit Center 2550 is at 1.865697 -1.431344 -2.616603 ESP Fit Center 2551 is at 1.448942 -1.431344 -2.616603 ESP Fit Center 2552 is at -1.145833 -3.613912 1.334162 ESP Fit Center 2553 is at -0.729305 -3.725520 1.334162 ESP Fit Center 2554 is at -1.646337 -3.661945 1.105418 ESP Fit Center 2555 is at -1.327855 -3.929183 1.105418 ESP Fit Center 2556 is at -0.937179 -4.071377 1.105418 ESP Fit Center 2557 is at -0.521431 -4.071377 1.105418 ESP Fit Center 2558 is at -1.992125 -3.704028 0.801402 ESP Fit Center 2559 is at -1.712327 -4.026932 0.801402 ESP Fit Center 2560 is at -1.352891 -4.257927 0.801402 ESP Fit Center 2561 is at -0.942936 -4.378301 0.801402 ESP Fit Center 2562 is at -0.515674 -4.378301 0.801402 ESP Fit Center 2563 is at -2.024124 -4.039573 0.437359 ESP Fit Center 2564 is at -1.711978 -4.316110 0.437359 ESP Fit Center 2565 is at -1.342722 -4.509911 0.437359 ESP Fit Center 2566 is at -0.937817 -4.609711 0.437359 ESP Fit Center 2567 is at -0.520793 -4.609711 0.437359 ESP Fit Center 2568 is at -0.115888 -4.509911 0.437359 ESP Fit Center 2569 is at -2.192785 -4.059550 0.031542 ESP Fit Center 2570 is at -1.896392 -4.355944 0.031542 ESP Fit Center 2571 is at -1.541475 -4.578952 0.031542 ESP Fit Center 2572 is at -1.145833 -4.717394 0.031542 ESP Fit Center 2573 is at -0.729305 -4.764325 0.031542 ESP Fit Center 2574 is at -0.312777 -4.717394 0.031542 ESP Fit Center 2575 is at 0.082865 -4.578952 0.031542 ESP Fit Center 2576 is at 0.437782 -4.355944 0.031542 ESP Fit Center 2577 is at -2.123216 -4.212846 -0.395698 ESP Fit Center 2578 is at -1.806784 -4.481626 -0.395698 ESP Fit Center 2579 is at -1.439970 -4.676099 -0.395698 ESP Fit Center 2580 is at -1.039926 -4.787170 -0.395698 ESP Fit Center 2581 is at -0.625358 -4.809648 -0.395698 ESP Fit Center 2582 is at -0.215651 -4.742479 -0.395698 ESP Fit Center 2583 is at 0.170039 -4.588807 -0.395698 ESP Fit Center 2584 is at 0.513677 -4.355815 -0.395698 ESP Fit Center 2585 is at -2.192785 -4.059550 -0.822938 ESP Fit Center 2586 is at -1.896392 -4.355944 -0.822938 ESP Fit Center 2587 is at -1.541475 -4.578952 -0.822938 ESP Fit Center 2588 is at -1.145833 -4.717394 -0.822938 ESP Fit Center 2589 is at -0.729305 -4.764325 -0.822938 ESP Fit Center 2590 is at -0.312777 -4.717394 -0.822938 ESP Fit Center 2591 is at 0.082865 -4.578952 -0.822938 ESP Fit Center 2592 is at 0.437782 -4.355944 -0.822938 ESP Fit Center 2593 is at -2.261020 -3.696370 -1.228755 ESP Fit Center 2594 is at -2.024124 -4.039573 -1.228755 ESP Fit Center 2595 is at -1.711978 -4.316110 -1.228755 ESP Fit Center 2596 is at -1.342722 -4.509911 -1.228755 ESP Fit Center 2597 is at -0.937817 -4.609711 -1.228755 ESP Fit Center 2598 is at -0.520793 -4.609711 -1.228755 ESP Fit Center 2599 is at -0.115888 -4.509911 -1.228755 ESP Fit Center 2600 is at 0.253368 -4.316110 -1.228755 ESP Fit Center 2601 is at -2.169616 -3.315377 -1.592799 ESP Fit Center 2602 is at -1.992125 -3.704028 -1.592799 ESP Fit Center 2603 is at -1.712327 -4.026932 -1.592799 ESP Fit Center 2604 is at -1.352891 -4.257927 -1.592799 ESP Fit Center 2605 is at -0.942936 -4.378301 -1.592799 ESP Fit Center 2606 is at -0.515674 -4.378301 -1.592799 ESP Fit Center 2607 is at -0.105719 -4.257927 -1.592799 ESP Fit Center 2608 is at 0.253717 -4.026932 -1.592799 ESP Fit Center 2609 is at -1.854211 -3.301896 -1.896815 ESP Fit Center 2610 is at -1.646337 -3.661945 -1.896815 ESP Fit Center 2611 is at -1.327855 -3.929183 -1.896815 ESP Fit Center 2612 is at -0.937179 -4.071377 -1.896815 ESP Fit Center 2613 is at -0.521431 -4.071377 -1.896815 ESP Fit Center 2614 is at -0.130755 -3.929183 -1.896815 ESP Fit Center 2615 is at 0.187727 -3.661945 -1.896815 ESP Fit Center 2616 is at -1.450753 -3.308992 -2.125558 ESP Fit Center 2617 is at -1.145833 -3.613912 -2.125558 ESP Fit Center 2618 is at -0.729305 -3.725520 -2.125558 ESP Fit Center 2619 is at -0.312777 -3.613912 -2.125558 ESP Fit Center 2620 is at -0.007857 -3.308992 -2.125558 ESP Fit Center 2621 is at -0.942925 -3.262464 -2.267560 ESP Fit Center 2622 is at -0.515685 -3.262464 -2.267560 ESP Fit Center 2623 is at 3.332552 0.328705 2.822549 ESP Fit Center 2624 is at 2.691692 -0.041296 2.822549 ESP Fit Center 2625 is at 3.118932 -0.041296 2.822549 ESP Fit Center 2626 is at 3.738369 0.328705 2.680548 ESP Fit Center 2627 is at 3.321840 -0.392743 2.680548 ESP Fit Center 2628 is at 3.626760 -0.087823 2.680548 ESP Fit Center 2629 is at 4.102412 0.328705 2.451804 ESP Fit Center 2630 is at 3.822344 -0.440776 2.451804 ESP Fit Center 2631 is at 4.030218 -0.080728 2.451804 ESP Fit Center 2632 is at 4.406428 0.328705 2.147788 ESP Fit Center 2633 is at 4.345622 0.751618 2.147788 ESP Fit Center 2634 is at 3.888334 -0.805763 2.147788 ESP Fit Center 2635 is at 4.168131 -0.482860 2.147788 ESP Fit Center 2636 is at 4.345622 -0.094208 2.147788 ESP Fit Center 2637 is at 4.635172 0.328705 1.783744 ESP Fit Center 2638 is at 4.584905 0.742688 1.783744 ESP Fit Center 2639 is at 4.200131 -0.818405 1.783744 ESP Fit Center 2640 is at 4.437027 -0.475201 1.783744 ESP Fit Center 2641 is at 4.584905 -0.085278 1.783744 ESP Fit Center 2642 is at 4.777173 0.328705 1.377928 ESP Fit Center 2643 is at 4.730242 0.745233 1.377928 ESP Fit Center 2644 is at 4.072398 -1.134775 1.377928 ESP Fit Center 2645 is at 4.368792 -0.838382 1.377928 ESP Fit Center 2646 is at 4.591801 -0.483465 1.377928 ESP Fit Center 2647 is at 4.730242 -0.087823 1.377928 ESP Fit Center 2648 is at 4.825312 0.328705 0.950687 ESP Fit Center 2649 is at 4.780423 0.741448 0.950687 ESP Fit Center 2650 is at 4.148293 -1.134646 0.950687 ESP Fit Center 2651 is at 4.433810 -0.833230 0.950687 ESP Fit Center 2652 is at 4.647857 -0.477482 0.950687 ESP Fit Center 2653 is at 4.780423 -0.084038 0.950687 ESP Fit Center 2654 is at 4.777173 0.328705 0.523447 ESP Fit Center 2655 is at 4.730242 0.745233 0.523447 ESP Fit Center 2656 is at 4.072398 -1.134775 0.523447 ESP Fit Center 2657 is at 4.368792 -0.838382 0.523447 ESP Fit Center 2658 is at 4.591801 -0.483465 0.523447 ESP Fit Center 2659 is at 4.730242 -0.087823 0.523447 ESP Fit Center 2660 is at 4.635172 0.328705 0.117631 ESP Fit Center 2661 is at 4.200131 -0.818405 0.117631 ESP Fit Center 2662 is at 4.437027 -0.475201 0.117631 ESP Fit Center 2663 is at 4.584905 -0.085278 0.117631 ESP Fit Center 2664 is at 4.406428 0.328705 -0.246413 ESP Fit Center 2665 is at 4.345622 -0.094208 -0.246413 ESP Fit Center 2666 is at 2.109740 2.945966 -2.289396 ESP Fit Center 2667 is at 1.700032 3.013135 -2.289396 ESP Fit Center 2668 is at 1.285464 2.990657 -2.289396 ESP Fit Center 2669 is at 0.202174 2.416333 -2.289396 ESP Fit Center 2670 is at -0.049080 2.085814 -2.289396 ESP Fit Center 2671 is at -0.223408 1.709009 -2.289396 ESP Fit Center 2672 is at -0.312659 1.303539 -2.289396 ESP Fit Center 2673 is at 2.408256 2.782439 -2.716636 ESP Fit Center 2674 is at 2.012614 2.920881 -2.716636 ESP Fit Center 2675 is at 1.596086 2.967812 -2.716636 ESP Fit Center 2676 is at 1.179557 2.920881 -2.716636 ESP Fit Center 2677 is at 0.783915 2.782439 -2.716636 ESP Fit Center 2678 is at 0.428999 2.559431 -2.716636 ESP Fit Center 2679 is at 0.132605 2.263037 -2.716636 ESP Fit Center 2680 is at -0.090403 1.908121 -2.716636 ESP Fit Center 2681 is at -0.228844 1.512479 -2.716636 ESP Fit Center 2682 is at -0.275776 1.095950 -2.716636 ESP Fit Center 2683 is at -0.228844 0.679422 -2.716636 ESP Fit Center 2684 is at -0.090403 0.283780 -2.716636 ESP Fit Center 2685 is at 0.132605 -0.071136 -2.716636 ESP Fit Center 2686 is at 0.428999 -0.367530 -2.716636 ESP Fit Center 2687 is at 0.783915 -0.590539 -2.716636 ESP Fit Center 2688 is at 2.890905 2.243060 -3.122453 ESP Fit Center 2689 is at 2.578758 2.519598 -3.122453 ESP Fit Center 2690 is at 2.209503 2.713398 -3.122453 ESP Fit Center 2691 is at 1.804597 2.813198 -3.122453 ESP Fit Center 2692 is at 1.387574 2.813198 -3.122453 ESP Fit Center 2693 is at 0.982669 2.713398 -3.122453 ESP Fit Center 2694 is at 0.613413 2.519598 -3.122453 ESP Fit Center 2695 is at 0.301267 2.243060 -3.122453 ESP Fit Center 2696 is at 0.064371 1.899857 -3.122453 ESP Fit Center 2697 is at -0.083508 1.509933 -3.122453 ESP Fit Center 2698 is at -0.133774 1.095950 -3.122453 ESP Fit Center 2699 is at -0.083508 0.681968 -3.122453 ESP Fit Center 2700 is at 0.064371 0.292044 -3.122453 ESP Fit Center 2701 is at 0.301267 -0.051159 -3.122453 ESP Fit Center 2702 is at 0.613413 -0.327697 -3.122453 ESP Fit Center 2703 is at 0.982669 -0.521497 -3.122453 ESP Fit Center 2704 is at 1.387574 -0.621297 -3.122453 ESP Fit Center 2705 is at 3.036396 1.518864 -3.486496 ESP Fit Center 2706 is at 2.858905 1.907515 -3.486496 ESP Fit Center 2707 is at 2.579108 2.230419 -3.486496 ESP Fit Center 2708 is at 2.219672 2.461414 -3.486496 ESP Fit Center 2709 is at 1.809717 2.581788 -3.486496 ESP Fit Center 2710 is at 1.382455 2.581788 -3.486496 ESP Fit Center 2711 is at 0.972499 2.461414 -3.486496 ESP Fit Center 2712 is at 0.613064 2.230419 -3.486496 ESP Fit Center 2713 is at 0.333266 1.907515 -3.486496 ESP Fit Center 2714 is at 0.155775 1.518864 -3.486496 ESP Fit Center 2715 is at 0.094969 1.095950 -3.486496 ESP Fit Center 2716 is at 0.155775 0.673037 -3.486496 ESP Fit Center 2717 is at 0.333266 0.284386 -3.486496 ESP Fit Center 2718 is at 0.613064 -0.038518 -3.486496 ESP Fit Center 2719 is at 0.972499 -0.269513 -3.486496 ESP Fit Center 2720 is at 1.382455 -0.389887 -3.486496 ESP Fit Center 2721 is at 1.809717 -0.389887 -3.486496 ESP Fit Center 2722 is at 2.219672 -0.269513 -3.486496 ESP Fit Center 2723 is at 2.793186 1.095950 -3.790512 ESP Fit Center 2724 is at 2.720992 1.505383 -3.790512 ESP Fit Center 2725 is at 2.513118 1.865432 -3.790512 ESP Fit Center 2726 is at 2.194636 2.132670 -3.790512 ESP Fit Center 2727 is at 1.803960 2.274864 -3.790512 ESP Fit Center 2728 is at 1.388211 2.274864 -3.790512 ESP Fit Center 2729 is at 0.997536 2.132670 -3.790512 ESP Fit Center 2730 is at 0.679054 1.865432 -3.790512 ESP Fit Center 2731 is at 0.471179 1.505383 -3.790512 ESP Fit Center 2732 is at 0.398985 1.095950 -3.790512 ESP Fit Center 2733 is at 0.471179 0.686518 -3.790512 ESP Fit Center 2734 is at 0.679054 0.326469 -3.790512 ESP Fit Center 2735 is at 0.997536 0.059231 -3.790512 ESP Fit Center 2736 is at 1.388211 -0.082963 -3.790512 ESP Fit Center 2737 is at 1.803960 -0.082963 -3.790512 ESP Fit Center 2738 is at 2.194636 0.059231 -3.790512 ESP Fit Center 2739 is at 2.513118 0.326469 -3.790512 ESP Fit Center 2740 is at 2.720992 0.686518 -3.790512 ESP Fit Center 2741 is at 2.429143 1.095950 -4.019256 ESP Fit Center 2742 is at 2.317534 1.512479 -4.019256 ESP Fit Center 2743 is at 2.012614 1.817399 -4.019256 ESP Fit Center 2744 is at 1.596086 1.929007 -4.019256 ESP Fit Center 2745 is at 1.179557 1.817399 -4.019256 ESP Fit Center 2746 is at 0.874637 1.512479 -4.019256 ESP Fit Center 2747 is at 0.763029 1.095950 -4.019256 ESP Fit Center 2748 is at 0.874637 0.679422 -4.019256 ESP Fit Center 2749 is at 1.179557 0.374502 -4.019256 ESP Fit Center 2750 is at 1.596086 0.262894 -4.019256 ESP Fit Center 2751 is at 2.012614 0.374502 -4.019256 ESP Fit Center 2752 is at 2.317534 0.679422 -4.019256 ESP Fit Center 2753 is at 2.023326 1.095950 -4.161257 ESP Fit Center 2754 is at 1.809706 1.465951 -4.161257 ESP Fit Center 2755 is at 1.382466 1.465951 -4.161257 ESP Fit Center 2756 is at 1.168846 1.095950 -4.161257 ESP Fit Center 2757 is at 1.382466 0.725950 -4.161257 ESP Fit Center 2758 is at 1.809706 0.725950 -4.161257 ESP Fit Center 2759 is at 1.596086 1.095950 -4.209396 ESP Fit Center 2760 is at 4.180067 -1.161249 0.225114 ESP Fit Center 2761 is at 4.129800 -1.575232 0.225114 ESP Fit Center 2762 is at 4.322068 -1.161249 -0.180702 ESP Fit Center 2763 is at 4.275137 -0.744721 -0.180702 ESP Fit Center 2764 is at 4.136696 -1.973420 -0.180702 ESP Fit Center 2765 is at 4.275137 -1.577778 -0.180702 ESP Fit Center 2766 is at 4.370207 -1.161249 -0.607943 ESP Fit Center 2767 is at 4.325318 -0.748506 -0.607943 ESP Fit Center 2768 is at 4.192751 -0.355062 -0.607943 ESP Fit Center 2769 is at 3.978705 0.000685 -0.607943 ESP Fit Center 2770 is at 3.978705 -2.323184 -0.607943 ESP Fit Center 2771 is at 4.192751 -1.967436 -0.607943 ESP Fit Center 2772 is at 4.325318 -1.573993 -0.607943 ESP Fit Center 2773 is at 4.322068 -1.161249 -1.035183 ESP Fit Center 2774 is at 4.275137 -0.744721 -1.035183 ESP Fit Center 2775 is at 4.136696 -0.349079 -1.035183 ESP Fit Center 2776 is at 3.913687 -2.328336 -1.035183 ESP Fit Center 2777 is at 4.136696 -1.973420 -1.035183 ESP Fit Center 2778 is at 4.275137 -1.577778 -1.035183 ESP Fit Center 2779 is at 4.180067 -1.161249 -1.440999 ESP Fit Center 2780 is at 4.129800 -0.747267 -1.440999 ESP Fit Center 2781 is at 3.745026 -2.308359 -1.440999 ESP Fit Center 2782 is at 3.981922 -1.965155 -1.440999 ESP Fit Center 2783 is at 4.129800 -1.575232 -1.440999 ESP Fit Center 2784 is at 3.951323 -1.161249 -1.805043 ESP Fit Center 2785 is at 3.890517 -0.738336 -1.805043 ESP Fit Center 2786 is at 3.433229 -2.295717 -1.805043 ESP Fit Center 2787 is at 3.713026 -1.972814 -1.805043 ESP Fit Center 2788 is at 3.890517 -1.584163 -1.805043 ESP Fit Center 2789 is at 3.647307 -1.161249 -2.109059 ESP Fit Center 2790 is at 3.575113 -0.751817 -2.109059 ESP Fit Center 2791 is at 3.367239 -1.930731 -2.109059 ESP Fit Center 2792 is at 3.575113 -1.570682 -2.109059 ESP Fit Center 2793 is at 3.283263 -1.161249 -2.337803 ESP Fit Center 2794 is at 2.866735 -1.882698 -2.337803 ESP Fit Center 2795 is at 3.171655 -1.577778 -2.337803 ESP Fit Center 2796 is at 2.877447 -1.161249 -2.479804 ESP Fit Center 2797 is at 2.663827 -1.531250 -2.479804 ESP Fit Center 2798 is at 2.450207 -1.161249 -2.527943 ESP Fit Center 2799 is at 0.962699 -4.224937 -0.128867 ESP Fit Center 2800 is at 1.367604 -4.324737 -0.128867 ESP Fit Center 2801 is at 0.763946 -4.293979 -0.534684 ESP Fit Center 2802 is at 1.159587 -4.432420 -0.534684 ESP Fit Center 2803 is at 1.576116 -4.479351 -0.534684 ESP Fit Center 2804 is at 1.992644 -4.432420 -0.534684 ESP Fit Center 2805 is at 2.388286 -4.293979 -0.534684 ESP Fit Center 2806 is at 2.743202 -4.070970 -0.534684 ESP Fit Center 2807 is at 0.865451 -4.391125 -0.961924 ESP Fit Center 2808 is at 1.265494 -4.502197 -0.961924 ESP Fit Center 2809 is at 1.680063 -4.524674 -0.961924 ESP Fit Center 2810 is at 2.089770 -4.457506 -0.961924 ESP Fit Center 2811 is at 2.475460 -4.303833 -0.961924 ESP Fit Center 2812 is at 2.819098 -4.070841 -0.961924 ESP Fit Center 2813 is at 3.104615 -3.769424 -0.961924 ESP Fit Center 2814 is at 3.318661 -3.413677 -0.961924 ESP Fit Center 2815 is at 0.763946 -4.293979 -1.389164 ESP Fit Center 2816 is at 1.159587 -4.432420 -1.389164 ESP Fit Center 2817 is at 1.576116 -4.479351 -1.389164 ESP Fit Center 2818 is at 1.992644 -4.432420 -1.389164 ESP Fit Center 2819 is at 2.388286 -4.293979 -1.389164 ESP Fit Center 2820 is at 2.743202 -4.070970 -1.389164 ESP Fit Center 2821 is at 3.039596 -3.774576 -1.389164 ESP Fit Center 2822 is at 3.262605 -3.419660 -1.389164 ESP Fit Center 2823 is at 3.401046 -3.024018 -1.389164 ESP Fit Center 2824 is at 3.305976 -2.607490 -1.794981 ESP Fit Center 2825 is at 0.281297 -3.754599 -1.794981 ESP Fit Center 2826 is at 0.593443 -4.031137 -1.794981 ESP Fit Center 2827 is at 0.962699 -4.224937 -1.794981 ESP Fit Center 2828 is at 1.367604 -4.324737 -1.794981 ESP Fit Center 2829 is at 1.784627 -4.324737 -1.794981 ESP Fit Center 2830 is at 2.189533 -4.224937 -1.794981 ESP Fit Center 2831 is at 2.558788 -4.031137 -1.794981 ESP Fit Center 2832 is at 2.870935 -3.754599 -1.794981 ESP Fit Center 2833 is at 3.107831 -3.411396 -1.794981 ESP Fit Center 2834 is at 3.255709 -3.021472 -1.794981 ESP Fit Center 2835 is at 3.077232 -2.607490 -2.159024 ESP Fit Center 2836 is at 0.135805 -3.030403 -2.159024 ESP Fit Center 2837 is at 0.313296 -3.419055 -2.159024 ESP Fit Center 2838 is at 0.593094 -3.741958 -2.159024 ESP Fit Center 2839 is at 0.952530 -3.972953 -2.159024 ESP Fit Center 2840 is at 1.362485 -4.093327 -2.159024 ESP Fit Center 2841 is at 1.789747 -4.093327 -2.159024 ESP Fit Center 2842 is at 2.199702 -3.972953 -2.159024 ESP Fit Center 2843 is at 2.559138 -3.741958 -2.159024 ESP Fit Center 2844 is at 2.838935 -3.419055 -2.159024 ESP Fit Center 2845 is at 3.016427 -3.030403 -2.159024 ESP Fit Center 2846 is at 2.773216 -2.607490 -2.463040 ESP Fit Center 2847 is at 2.701022 -2.198057 -2.463040 ESP Fit Center 2848 is at 0.451209 -2.198057 -2.463040 ESP Fit Center 2849 is at 0.379015 -2.607490 -2.463040 ESP Fit Center 2850 is at 0.451209 -3.016922 -2.463040 ESP Fit Center 2851 is at 0.659084 -3.376971 -2.463040 ESP Fit Center 2852 is at 0.977566 -3.644209 -2.463040 ESP Fit Center 2853 is at 1.368242 -3.786403 -2.463040 ESP Fit Center 2854 is at 1.783990 -3.786403 -2.463040 ESP Fit Center 2855 is at 2.174666 -3.644209 -2.463040 ESP Fit Center 2856 is at 2.493148 -3.376971 -2.463040 ESP Fit Center 2857 is at 2.701022 -3.016922 -2.463040 ESP Fit Center 2858 is at 2.409173 -2.607490 -2.691784 ESP Fit Center 2859 is at 2.297564 -2.190961 -2.691784 ESP Fit Center 2860 is at 1.992644 -1.886041 -2.691784 ESP Fit Center 2861 is at 1.576116 -1.774433 -2.691784 ESP Fit Center 2862 is at 1.159587 -1.886041 -2.691784 ESP Fit Center 2863 is at 0.854668 -2.190961 -2.691784 ESP Fit Center 2864 is at 0.743059 -2.607490 -2.691784 ESP Fit Center 2865 is at 0.854668 -3.024018 -2.691784 ESP Fit Center 2866 is at 1.159587 -3.328938 -2.691784 ESP Fit Center 2867 is at 1.576116 -3.440546 -2.691784 ESP Fit Center 2868 is at 1.992644 -3.328938 -2.691784 ESP Fit Center 2869 is at 2.297564 -3.024018 -2.691784 ESP Fit Center 2870 is at 2.003356 -2.607490 -2.833786 ESP Fit Center 2871 is at 1.789736 -2.237489 -2.833786 ESP Fit Center 2872 is at 1.362496 -2.237489 -2.833786 ESP Fit Center 2873 is at 1.148876 -2.607490 -2.833786 ESP Fit Center 2874 is at 1.362496 -2.977491 -2.833786 ESP Fit Center 2875 is at 1.789736 -2.977491 -2.833786 ESP Fit Center 2876 is at 1.576116 -2.607490 -2.881924 ESP Fit Center 2877 is at 1.784020 -2.730079 3.494613 ESP Fit Center 2878 is at 2.200775 -2.730079 3.494613 ESP Fit Center 2879 is at 1.281522 -2.779582 3.386337 ESP Fit Center 2880 is at 1.581973 -3.080033 3.386337 ESP Fit Center 2881 is at 1.992398 -3.190006 3.386337 ESP Fit Center 2882 is at 2.402822 -3.080033 3.386337 ESP Fit Center 2883 is at 2.703273 -2.779582 3.386337 ESP Fit Center 2884 is at 3.192398 -2.369158 3.209536 ESP Fit Center 2885 is at 0.792398 -2.369158 3.209536 ESP Fit Center 2886 is at 2.200775 -3.550927 3.209536 ESP Fit Center 2887 is at 2.592398 -3.408388 3.209536 ESP Fit Center 2888 is at 2.911651 -3.140503 3.209536 ESP Fit Center 2889 is at 3.120029 -2.779582 3.209536 ESP Fit Center 2890 is at 3.535088 -2.369158 2.969581 ESP Fit Center 2891 is at 0.464076 -2.159095 2.969581 ESP Fit Center 2892 is at 2.306267 -3.879581 2.969581 ESP Fit Center 2893 is at 2.702135 -3.738890 2.969581 ESP Fit Center 2894 is at 3.045366 -3.496611 2.969581 ESP Fit Center 2895 is at 3.310502 -3.170715 2.969581 ESP Fit Center 2896 is at 3.477881 -2.785371 2.969581 ESP Fit Center 2897 is at 3.781347 -1.945169 2.673765 ESP Fit Center 2898 is at 2.311651 -4.179733 2.673765 ESP Fit Center 2899 is at 2.720593 -4.057304 2.673765 ESP Fit Center 2900 is at 3.902415 -1.549505 2.331075 ESP Fit Center 2901 is at 0.009256 -1.746943 2.331075 ESP Fit Center 2902 is at 2.714258 -4.318239 2.331075 ESP Fit Center 2903 is at 4.086111 -1.530961 1.951923 ESP Fit Center 2904 is at 3.889645 -1.149871 1.951923 ESP Fit Center 2905 is at 2.524096 -4.560848 1.951923 ESP Fit Center 2906 is at 4.021374 -1.156901 1.547830 ESP Fit Center 2907 is at 2.409153 -4.732696 1.131075 ESP Fit Center 2908 is at 2.309663 -4.711306 0.714319 ESP Fit Center 2909 is at 2.099707 -4.621866 0.310226 ESP Fit Center 2910 is at 2.524096 -4.560848 0.310226 ESP Fit Center 2911 is at 1.471426 -4.381268 -0.068925 ESP Fit Center 2912 is at 1.887125 -4.444951 -0.068925 ESP Fit Center 2913 is at 2.307134 -4.423651 -0.068925 ESP Fit Center 2914 is at 2.720593 -4.057304 -0.411616 ESP Fit Center 2915 is at 3.801299 -2.842453 2.834131 ESP Fit Center 2916 is at 3.689691 -2.425924 2.834131 ESP Fit Center 2917 is at 3.384771 -3.563901 2.834131 ESP Fit Center 2918 is at 3.689691 -3.258981 2.834131 ESP Fit Center 2919 is at 4.165343 -2.842453 2.605387 ESP Fit Center 2920 is at 4.093149 -2.433020 2.605387 ESP Fit Center 2921 is at 3.885275 -2.072971 2.605387 ESP Fit Center 2922 is at 3.176117 -4.021366 2.605387 ESP Fit Center 2923 is at 3.566793 -3.879172 2.605387 ESP Fit Center 2924 is at 3.885275 -3.611934 2.605387 ESP Fit Center 2925 is at 4.093149 -3.251885 2.605387 ESP Fit Center 2926 is at 4.469359 -2.842453 2.301371 ESP Fit Center 2927 is at 4.408553 -2.419539 2.301371 ESP Fit Center 2928 is at 4.231062 -2.030888 2.301371 ESP Fit Center 2929 is at 2.754611 -4.328290 2.301371 ESP Fit Center 2930 is at 3.181874 -4.328290 2.301371 ESP Fit Center 2931 is at 3.591829 -4.207916 2.301371 ESP Fit Center 2932 is at 3.951265 -3.976921 2.301371 ESP Fit Center 2933 is at 4.231062 -3.654017 2.301371 ESP Fit Center 2934 is at 4.408553 -3.265366 2.301371 ESP Fit Center 2935 is at 4.698103 -2.842453 1.937327 ESP Fit Center 2936 is at 4.647836 -2.428470 1.937327 ESP Fit Center 2937 is at 4.499958 -2.038546 1.937327 ESP Fit Center 2938 is at 4.263062 -1.695343 1.937327 ESP Fit Center 2939 is at 2.759731 -4.559700 1.937327 ESP Fit Center 2940 is at 3.176754 -4.559700 1.937327 ESP Fit Center 2941 is at 3.581660 -4.459900 1.937327 ESP Fit Center 2942 is at 3.950915 -4.266100 1.937327 ESP Fit Center 2943 is at 4.263062 -3.989562 1.937327 ESP Fit Center 2944 is at 4.499958 -3.646359 1.937327 ESP Fit Center 2945 is at 4.647836 -3.256435 1.937327 ESP Fit Center 2946 is at 4.840104 -2.842453 1.531511 ESP Fit Center 2947 is at 4.793173 -2.425924 1.531511 ESP Fit Center 2948 is at 4.654732 -2.030282 1.531511 ESP Fit Center 2949 is at 4.431723 -1.675366 1.531511 ESP Fit Center 2950 is at 2.968243 -4.714314 1.531511 ESP Fit Center 2951 is at 3.384771 -4.667383 1.531511 ESP Fit Center 2952 is at 3.780413 -4.528942 1.531511 ESP Fit Center 2953 is at 4.135329 -4.305933 1.531511 ESP Fit Center 2954 is at 4.431723 -4.009539 1.531511 ESP Fit Center 2955 is at 4.654732 -3.654623 1.531511 ESP Fit Center 2956 is at 4.793173 -3.258981 1.531511 ESP Fit Center 2957 is at 4.888243 -2.842453 1.104271 ESP Fit Center 2958 is at 4.843354 -2.429709 1.104271 ESP Fit Center 2959 is at 4.710787 -2.036265 1.104271 ESP Fit Center 2960 is at 4.496741 -1.680518 1.104271 ESP Fit Center 2961 is at 4.211224 -1.379101 1.104271 ESP Fit Center 2962 is at 2.657621 -4.737159 1.104271 ESP Fit Center 2963 is at 3.072189 -4.759637 1.104271 ESP Fit Center 2964 is at 3.481897 -4.692469 1.104271 ESP Fit Center 2965 is at 3.867587 -4.538796 1.104271 ESP Fit Center 2966 is at 4.211224 -4.305804 1.104271 ESP Fit Center 2967 is at 4.496741 -4.004387 1.104271 ESP Fit Center 2968 is at 4.710787 -3.648640 1.104271 ESP Fit Center 2969 is at 4.843354 -3.255196 1.104271 ESP Fit Center 2970 is at 4.840104 -2.842453 0.677030 ESP Fit Center 2971 is at 4.793173 -2.425924 0.677030 ESP Fit Center 2972 is at 4.654732 -2.030282 0.677030 ESP Fit Center 2973 is at 4.431723 -1.675366 0.677030 ESP Fit Center 2974 is at 4.135329 -1.378972 0.677030 ESP Fit Center 2975 is at 2.551714 -4.667383 0.677030 ESP Fit Center 2976 is at 2.968243 -4.714314 0.677030 ESP Fit Center 2977 is at 3.384771 -4.667383 0.677030 ESP Fit Center 2978 is at 3.780413 -4.528942 0.677030 ESP Fit Center 2979 is at 4.135329 -4.305933 0.677030 ESP Fit Center 2980 is at 4.431723 -4.009539 0.677030 ESP Fit Center 2981 is at 4.654732 -3.654623 0.677030 ESP Fit Center 2982 is at 4.793173 -3.258981 0.677030 ESP Fit Center 2983 is at 4.698103 -2.842453 0.271214 ESP Fit Center 2984 is at 4.647836 -2.428470 0.271214 ESP Fit Center 2985 is at 4.499958 -2.038546 0.271214 ESP Fit Center 2986 is at 4.263062 -1.695343 0.271214 ESP Fit Center 2987 is at 2.759731 -4.559700 0.271214 ESP Fit Center 2988 is at 3.176754 -4.559700 0.271214 ESP Fit Center 2989 is at 3.581660 -4.459900 0.271214 ESP Fit Center 2990 is at 3.950915 -4.266100 0.271214 ESP Fit Center 2991 is at 4.263062 -3.989562 0.271214 ESP Fit Center 2992 is at 4.499958 -3.646359 0.271214 ESP Fit Center 2993 is at 4.647836 -3.256435 0.271214 ESP Fit Center 2994 is at 4.469359 -2.842453 -0.092830 ESP Fit Center 2995 is at 4.408553 -2.419539 -0.092830 ESP Fit Center 2996 is at 4.231062 -2.030888 -0.092830 ESP Fit Center 2997 is at 2.754611 -4.328290 -0.092830 ESP Fit Center 2998 is at 3.181874 -4.328290 -0.092830 ESP Fit Center 2999 is at 3.591829 -4.207916 -0.092830 ESP Fit Center 3000 is at 3.951265 -3.976921 -0.092830 ESP Fit Center 3001 is at 4.231062 -3.654017 -0.092830 ESP Fit Center 3002 is at 4.408553 -3.265366 -0.092830 ESP Fit Center 3003 is at 4.165343 -2.842453 -0.396846 ESP Fit Center 3004 is at 4.093149 -2.433020 -0.396846 ESP Fit Center 3005 is at 3.176117 -4.021366 -0.396846 ESP Fit Center 3006 is at 3.566793 -3.879172 -0.396846 ESP Fit Center 3007 is at 3.885275 -3.611934 -0.396846 ESP Fit Center 3008 is at 4.093149 -3.251885 -0.396846 ESP Fit Center 3009 is at 3.801299 -2.842453 -0.625590 ESP Fit Center 3010 is at 3.384771 -3.563901 -0.625590 ESP Fit Center 3011 is at 3.689691 -3.258981 -0.625590 ESP Fit Center 3012 is at 1.264472 -3.113634 3.350728 ESP Fit Center 3013 is at 0.837232 -3.113634 3.302589 ESP Fit Center 3014 is at 1.050852 -3.483635 3.302589 ESP Fit Center 3015 is at 1.478092 -3.483635 3.302589 ESP Fit Center 3016 is at 0.543023 -2.697106 3.160588 ESP Fit Center 3017 is at 0.431415 -3.113634 3.160588 ESP Fit Center 3018 is at 0.543023 -3.530163 3.160588 ESP Fit Center 3019 is at 0.847943 -3.835083 3.160588 ESP Fit Center 3020 is at 1.264472 -3.946691 3.160588 ESP Fit Center 3021 is at 1.681000 -3.835083 3.160588 ESP Fit Center 3022 is at 0.347440 -2.344153 2.931844 ESP Fit Center 3023 is at 0.139565 -2.704202 2.931844 ESP Fit Center 3024 is at 0.067371 -3.113634 2.931844 ESP Fit Center 3025 is at 0.139565 -3.523067 2.931844 ESP Fit Center 3026 is at 0.347440 -3.883116 2.931844 ESP Fit Center 3027 is at 0.665921 -4.150354 2.931844 ESP Fit Center 3028 is at 1.056597 -4.292548 2.931844 ESP Fit Center 3029 is at 1.472346 -4.292548 2.931844 ESP Fit Center 3030 is at 1.863022 -4.150354 2.931844 ESP Fit Center 3031 is at 0.001652 -2.302069 2.627828 ESP Fit Center 3032 is at -0.175839 -2.690721 2.627828 ESP Fit Center 3033 is at -0.236645 -3.113634 2.627828 ESP Fit Center 3034 is at -0.175839 -3.536548 2.627828 ESP Fit Center 3035 is at 0.001652 -3.925199 2.627828 ESP Fit Center 3036 is at 0.281449 -4.248102 2.627828 ESP Fit Center 3037 is at 0.640885 -4.479098 2.627828 ESP Fit Center 3038 is at 1.050841 -4.599471 2.627828 ESP Fit Center 3039 is at 1.478103 -4.599471 2.627828 ESP Fit Center 3040 is at 1.888058 -4.479098 2.627828 ESP Fit Center 3041 is at 2.247494 -4.248102 2.627828 ESP Fit Center 3042 is at -0.267243 -2.309728 2.263784 ESP Fit Center 3043 is at -0.415122 -2.699652 2.263784 ESP Fit Center 3044 is at -0.465389 -3.113634 2.263784 ESP Fit Center 3045 is at -0.415122 -3.527617 2.263784 ESP Fit Center 3046 is at -0.267243 -3.917540 2.263784 ESP Fit Center 3047 is at -0.030347 -4.260744 2.263784 ESP Fit Center 3048 is at 0.281799 -4.537281 2.263784 ESP Fit Center 3049 is at 0.651055 -4.731082 2.263784 ESP Fit Center 3050 is at 1.055960 -4.830882 2.263784 ESP Fit Center 3051 is at 1.472983 -4.830882 2.263784 ESP Fit Center 3052 is at 1.877889 -4.731082 2.263784 ESP Fit Center 3053 is at 2.247144 -4.537281 2.263784 ESP Fit Center 3054 is at -0.607390 -3.113634 1.857968 ESP Fit Center 3055 is at -0.560458 -3.530163 1.857968 ESP Fit Center 3056 is at -0.422017 -3.925805 1.857968 ESP Fit Center 3057 is at -0.199009 -4.280721 1.857968 ESP Fit Center 3058 is at 0.097385 -4.577115 1.857968 ESP Fit Center 3059 is at 0.452301 -4.800123 1.857968 ESP Fit Center 3060 is at 0.847943 -4.938564 1.857968 ESP Fit Center 3061 is at 1.264472 -4.985496 1.857968 ESP Fit Center 3062 is at 1.681000 -4.938564 1.857968 ESP Fit Center 3063 is at 2.076642 -4.800123 1.857968 ESP Fit Center 3064 is at -0.555022 -3.726693 1.430728 ESP Fit Center 3065 is at -0.380694 -4.103498 1.430728 ESP Fit Center 3066 is at -0.129440 -4.434017 1.430728 ESP Fit Center 3067 is at 0.186993 -4.702797 1.430728 ESP Fit Center 3068 is at 0.553806 -4.897270 1.430728 ESP Fit Center 3069 is at 0.953850 -5.008341 1.430728 ESP Fit Center 3070 is at 1.368418 -5.030818 1.430728 ESP Fit Center 3071 is at 1.778126 -4.963650 1.430728 ESP Fit Center 3072 is at 2.163816 -4.809977 1.430728 ESP Fit Center 3073 is at -0.199009 -4.280721 1.003487 ESP Fit Center 3074 is at 0.097385 -4.577115 1.003487 ESP Fit Center 3075 is at 0.452301 -4.800123 1.003487 ESP Fit Center 3076 is at 0.847943 -4.938564 1.003487 ESP Fit Center 3077 is at 1.264472 -4.985496 1.003487 ESP Fit Center 3078 is at 1.681000 -4.938564 1.003487 ESP Fit Center 3079 is at 2.076642 -4.800123 1.003487 ESP Fit Center 3080 is at 0.281799 -4.537281 0.597671 ESP Fit Center 3081 is at 0.651055 -4.731082 0.597671 ESP Fit Center 3082 is at 1.055960 -4.830882 0.597671 ESP Fit Center 3083 is at 1.472983 -4.830882 0.597671 ESP Fit Center 3084 is at 1.877889 -4.731082 0.597671 ESP Fit Center 3085 is at 0.640885 -4.479098 0.233627 ESP Fit Center 3086 is at 1.050841 -4.599471 0.233627 ESP Fit Center 3087 is at 1.478103 -4.599471 0.233627 ESP Fit Center 3088 is at 1.056597 -4.292548 -0.070389 ESP Fit Center 3089 is at 2.013470 -1.601578 3.816182 ESP Fit Center 3090 is at 2.440710 -1.601578 3.768044 ESP Fit Center 3091 is at 2.227090 -1.231577 3.768044 ESP Fit Center 3092 is at 1.799850 -1.231577 3.768044 ESP Fit Center 3093 is at 1.586230 -1.601578 3.768044 ESP Fit Center 3094 is at 1.799850 -1.971579 3.768044 ESP Fit Center 3095 is at 2.227090 -1.971579 3.768044 ESP Fit Center 3096 is at 2.846527 -1.601578 3.626042 ESP Fit Center 3097 is at 2.734919 -1.185050 3.626042 ESP Fit Center 3098 is at 2.429999 -0.880130 3.626042 ESP Fit Center 3099 is at 2.013470 -0.768521 3.626042 ESP Fit Center 3100 is at 1.596942 -0.880130 3.626042 ESP Fit Center 3101 is at 1.292022 -1.185050 3.626042 ESP Fit Center 3102 is at 1.180414 -1.601578 3.626042 ESP Fit Center 3103 is at 1.292022 -2.018107 3.626042 ESP Fit Center 3104 is at 1.596942 -2.323027 3.626042 ESP Fit Center 3105 is at 2.013470 -2.434635 3.626042 ESP Fit Center 3106 is at 2.429999 -2.323027 3.626042 ESP Fit Center 3107 is at 2.734919 -2.018107 3.626042 ESP Fit Center 3108 is at 3.210571 -1.601578 3.397298 ESP Fit Center 3109 is at 3.138377 -1.192146 3.397298 ESP Fit Center 3110 is at 2.930502 -0.832097 3.397298 ESP Fit Center 3111 is at 2.612021 -0.564859 3.397298 ESP Fit Center 3112 is at 2.221345 -0.422664 3.397298 ESP Fit Center 3113 is at 1.805596 -0.422664 3.397298 ESP Fit Center 3114 is at 1.414920 -0.564859 3.397298 ESP Fit Center 3115 is at 1.096438 -0.832097 3.397298 ESP Fit Center 3116 is at 0.888564 -1.192146 3.397298 ESP Fit Center 3117 is at 0.816370 -1.601578 3.397298 ESP Fit Center 3118 is at 0.888564 -2.011011 3.397298 ESP Fit Center 3119 is at 1.096438 -2.371060 3.397298 ESP Fit Center 3120 is at 2.930502 -2.371060 3.397298 ESP Fit Center 3121 is at 3.138377 -2.011011 3.397298 ESP Fit Center 3122 is at 3.514587 -1.601578 3.093282 ESP Fit Center 3123 is at 3.453781 -1.178665 3.093282 ESP Fit Center 3124 is at 3.276290 -0.790013 3.093282 ESP Fit Center 3125 is at 2.996493 -0.467110 3.093282 ESP Fit Center 3126 is at 2.637057 -0.236115 3.093282 ESP Fit Center 3127 is at 2.227101 -0.115741 3.093282 ESP Fit Center 3128 is at 1.799839 -0.115741 3.093282 ESP Fit Center 3129 is at 1.389884 -0.236115 3.093282 ESP Fit Center 3130 is at 1.030448 -0.467110 3.093282 ESP Fit Center 3131 is at 0.750651 -0.790013 3.093282 ESP Fit Center 3132 is at 0.573160 -1.178665 3.093282 ESP Fit Center 3133 is at 0.512354 -1.601578 3.093282 ESP Fit Center 3134 is at 0.573160 -2.024492 3.093282 ESP Fit Center 3135 is at 3.453781 -2.024492 3.093282 ESP Fit Center 3136 is at 3.743331 -1.601578 2.729239 ESP Fit Center 3137 is at 3.693064 -1.187596 2.729239 ESP Fit Center 3138 is at 3.545185 -0.797672 2.729239 ESP Fit Center 3139 is at 3.308289 -0.454469 2.729239 ESP Fit Center 3140 is at 1.030798 -0.177931 2.729239 ESP Fit Center 3141 is at 0.718651 -0.454469 2.729239 ESP Fit Center 3142 is at 0.481755 -0.797672 2.729239 ESP Fit Center 3143 is at 0.333877 -1.187596 2.729239 ESP Fit Center 3144 is at 0.283610 -1.601578 2.729239 ESP Fit Center 3145 is at 3.838400 -1.185050 2.323422 ESP Fit Center 3146 is at 3.699959 -0.789408 2.323422 ESP Fit Center 3147 is at 0.846384 -0.138098 2.323422 ESP Fit Center 3148 is at 0.549990 -0.434492 2.323422 ESP Fit Center 3149 is at 0.326981 -0.789408 2.323422 ESP Fit Center 3150 is at 0.188540 -1.185050 2.323422 ESP Fit Center 3151 is at 2.821383 3.354536 -1.207681 ESP Fit Center 3152 is at 2.619760 3.288228 -1.599110 ESP Fit Center 3153 is at 3.221071 1.262223 3.357775 ESP Fit Center 3154 is at 3.109290 0.845050 3.357775 ESP Fit Center 3155 is at 3.612500 1.262223 3.195640 ESP Fit Center 3156 is at 3.538576 1.681462 3.195640 ESP Fit Center 3157 is at 3.325723 2.050135 3.195640 ESP Fit Center 3158 is at 2.599579 0.055071 3.195640 ESP Fit Center 3159 is at 2.999612 0.200671 3.195640 ESP Fit Center 3160 is at 3.325723 0.474310 3.195640 ESP Fit Center 3161 is at 3.538576 0.842983 3.195640 ESP Fit Center 3162 is at 3.973745 1.262223 2.974268 ESP Fit Center 3163 is at 3.919669 1.672974 2.974268 ESP Fit Center 3164 is at 3.761125 2.055733 2.974268 ESP Fit Center 3165 is at 3.508918 2.384416 2.974268 ESP Fit Center 3166 is at 3.761125 0.468713 2.974268 ESP Fit Center 3167 is at 3.919669 0.851472 2.974268 ESP Fit Center 3168 is at 4.295914 1.262223 2.699110 ESP Fit Center 3169 is at 4.248046 1.687057 2.699110 ESP Fit Center 3170 is at 4.106844 2.090589 2.699110 ESP Fit Center 3171 is at 3.879389 2.452582 2.699110 ESP Fit Center 3172 is at 3.577085 2.754886 2.699110 ESP Fit Center 3173 is at 3.215091 2.982342 2.699110 ESP Fit Center 3174 is at 4.248046 0.837388 2.699110 ESP Fit Center 3175 is at 4.571071 1.262223 2.376942 ESP Fit Center 3176 is at 4.531597 1.675613 2.376942 ESP Fit Center 3177 is at 4.414602 2.074062 2.376942 ESP Fit Center 3178 is at 3.294135 3.249174 2.376942 ESP Fit Center 3179 is at 2.901704 3.384995 2.376942 ESP Fit Center 3180 is at 4.531597 0.848833 2.376942 ESP Fit Center 3181 is at 4.792443 1.262223 2.015697 ESP Fit Center 3182 is at 4.755895 1.679971 2.015697 ESP Fit Center 3183 is at 2.804474 3.631392 2.015697 ESP Fit Center 3184 is at 2.386725 3.667940 2.015697 ESP Fit Center 3185 is at 4.755895 0.844474 2.015697 ESP Fit Center 3186 is at 4.954578 1.262223 1.624268 ESP Fit Center 3187 is at 2.174674 3.821305 1.624268 ESP Fit Center 3188 is at 1.756355 3.751500 1.624268 ESP Fit Center 3189 is at 4.919556 0.839568 1.624268 ESP Fit Center 3190 is at 5.053484 1.262223 1.212295 ESP Fit Center 3191 is at 1.969552 3.896149 1.212295 ESP Fit Center 3192 is at 5.020652 0.845050 1.212295 ESP Fit Center 3193 is at 2.077080 3.944408 0.789922 ESP Fit Center 3194 is at 1.671275 3.865707 0.789922 ESP Fit Center 3195 is at 5.055082 0.850070 0.789922 ESP Fit Center 3196 is at 5.020652 0.845050 0.367549 ESP Fit Center 3197 is at 4.919556 0.839568 -0.044424 ESP Fit Center 3198 is at 4.647360 0.439419 -0.435852 ESP Fit Center 3199 is at 4.755895 0.844474 -0.435852 ESP Fit Center 3200 is at 4.531597 0.848833 -0.797098 ESP Fit Center 3201 is at 4.524389 0.812342 -0.906934 ESP Fit Center 3202 is at 4.487276 1.236545 -0.906934 ESP Fit Center 3203 is at 4.377064 -0.023175 -0.906934 ESP Fit Center 3204 is at 4.487276 0.388139 -0.906934 ESP Fit Center 3205 is at 4.592893 0.812342 -1.317457 ESP Fit Center 3206 is at 4.556769 1.236769 -1.317457 ESP Fit Center 3207 is at 4.449436 1.648987 -1.317457 ESP Fit Center 3208 is at 4.273981 2.037135 -1.317457 ESP Fit Center 3209 is at 4.449436 -0.024303 -1.317457 ESP Fit Center 3210 is at 4.556769 0.387914 -1.317457 ESP Fit Center 3211 is at 4.592893 0.812342 -1.733657 ESP Fit Center 3212 is at 4.556769 1.236769 -1.733657 ESP Fit Center 3213 is at 4.449436 1.648987 -1.733657 ESP Fit Center 3214 is at 4.273981 2.037135 -1.733657 ESP Fit Center 3215 is at 4.035453 2.390049 -1.733657 ESP Fit Center 3216 is at 3.740714 2.697575 -1.733657 ESP Fit Center 3217 is at 3.398241 2.950866 -1.733657 ESP Fit Center 3218 is at 3.017889 3.142636 -1.733657 ESP Fit Center 3219 is at 2.610598 3.267367 -1.733657 ESP Fit Center 3220 is at 4.273981 -0.412452 -1.733657 ESP Fit Center 3221 is at 4.449436 -0.024303 -1.733657 ESP Fit Center 3222 is at 4.556769 0.387914 -1.733657 ESP Fit Center 3223 is at 4.524389 0.812342 -2.144180 ESP Fit Center 3224 is at 4.487276 1.236545 -2.144180 ESP Fit Center 3225 is at 4.377064 1.647859 -2.144180 ESP Fit Center 3226 is at 4.197103 2.033786 -2.144180 ESP Fit Center 3227 is at 3.952861 2.382600 -2.144180 ESP Fit Center 3228 is at 3.651758 2.683703 -2.144180 ESP Fit Center 3229 is at 3.302944 2.927945 -2.144180 ESP Fit Center 3230 is at 2.917017 3.107906 -2.144180 ESP Fit Center 3231 is at 2.505703 3.218118 -2.144180 ESP Fit Center 3232 is at 2.081500 3.255230 -2.144180 ESP Fit Center 3233 is at 3.952861 -0.757917 -2.144180 ESP Fit Center 3234 is at 4.197103 -0.409103 -2.144180 ESP Fit Center 3235 is at 4.377064 -0.023175 -2.144180 ESP Fit Center 3236 is at 4.487276 0.388139 -2.144180 ESP Fit Center 3237 is at 4.389249 0.812342 -2.537829 ESP Fit Center 3238 is at 4.349955 1.236390 -2.537829 ESP Fit Center 3239 is at 4.233411 1.645997 -2.537829 ESP Fit Center 3240 is at 4.043587 2.027215 -2.537829 ESP Fit Center 3241 is at 3.786947 2.367062 -2.537829 ESP Fit Center 3242 is at 3.472229 2.653965 -2.537829 ESP Fit Center 3243 is at 3.110152 2.878154 -2.537829 ESP Fit Center 3244 is at 2.713045 3.031994 -2.537829 ESP Fit Center 3245 is at 3.472229 -1.029281 -2.537829 ESP Fit Center 3246 is at 3.786947 -0.742378 -2.537829 ESP Fit Center 3247 is at 4.043587 -0.402531 -2.537829 ESP Fit Center 3248 is at 4.233411 -0.021313 -2.537829 ESP Fit Center 3249 is at 4.349955 0.388294 -2.537829 ESP Fit Center 3250 is at 4.191159 0.812342 -2.903866 ESP Fit Center 3251 is at 4.147975 1.237013 -2.903866 ESP Fit Center 3252 is at 4.020188 1.644298 -2.903866 ESP Fit Center 3253 is at 3.813031 2.017523 -2.903866 ESP Fit Center 3254 is at 3.534985 2.341408 -2.903866 ESP Fit Center 3255 is at 3.197434 2.602692 -2.903866 ESP Fit Center 3256 is at 2.814196 2.790680 -2.903866 ESP Fit Center 3257 is at 0.790165 -0.855926 -2.903866 ESP Fit Center 3258 is at 1.152418 -1.081720 -2.903866 ESP Fit Center 3259 is at 1.552708 -1.229971 -2.903866 ESP Fit Center 3260 is at 1.974647 -1.294610 -2.903866 ESP Fit Center 3261 is at 2.400961 -1.272990 -2.903866 ESP Fit Center 3262 is at 2.814196 -1.165996 -2.903866 ESP Fit Center 3263 is at 3.197434 -0.978009 -2.903866 ESP Fit Center 3264 is at 3.534985 -0.716724 -2.903866 ESP Fit Center 3265 is at 3.813031 -0.392840 -2.903866 ESP Fit Center 3266 is at 4.020188 -0.019615 -2.903866 ESP Fit Center 3267 is at 4.147975 0.387670 -2.903866 ESP Fit Center 3268 is at 3.935524 0.812342 -3.232307 ESP Fit Center 3269 is at 3.885549 1.239909 -3.232307 ESP Fit Center 3270 is at 3.738316 1.644426 -3.232307 ESP Fit Center 3271 is at 3.501765 2.004086 -3.232307 ESP Fit Center 3272 is at 3.188646 2.299498 -3.232307 ESP Fit Center 3273 is at 1.549760 -0.963794 -3.232307 ESP Fit Center 3274 is at 1.973698 -1.038546 -3.232307 ESP Fit Center 3275 is at 2.403448 -1.013516 -3.232307 ESP Fit Center 3276 is at 2.815841 -0.890053 -3.232307 ESP Fit Center 3277 is at 3.188646 -0.674814 -3.232307 ESP Fit Center 3278 is at 3.501765 -0.379402 -3.232307 ESP Fit Center 3279 is at 3.738316 -0.019743 -3.232307 ESP Fit Center 3280 is at 3.885549 0.384774 -3.232307 ESP Fit Center 3281 is at 3.629316 0.812342 -3.514191 ESP Fit Center 3282 is at 3.571919 1.229938 -3.514191 ESP Fit Center 3283 is at 3.403984 1.616562 -3.514191 ESP Fit Center 3284 is at 1.975873 -0.731866 -3.514191 ESP Fit Center 3285 is at 2.396412 -0.703100 -3.514191 ESP Fit Center 3286 is at 2.793596 -0.561941 -3.514191 ESP Fit Center 3287 is at 3.137967 -0.318858 -3.514191 ESP Fit Center 3288 is at 3.403984 0.008121 -3.514191 ESP Fit Center 3289 is at 3.571919 0.394746 -3.514191 ESP Fit Center 3290 is at 3.280887 0.812342 -3.741831 ESP Fit Center 3291 is at 3.208555 1.222556 -3.741831 ESP Fit Center 3292 is at 2.289771 -0.368824 -3.741831 ESP Fit Center 3293 is at 2.681194 -0.226358 -3.741831 ESP Fit Center 3294 is at 3.000284 0.041390 -3.741831 ESP Fit Center 3295 is at 3.208555 0.402127 -3.741831 ESP Fit Center 3296 is at -3.151925 -1.817903 2.342947 ESP Fit Center 3297 is at -3.359315 -1.458695 2.308577 ESP Fit Center 3298 is at -3.566704 -1.817903 2.308577 ESP Fit Center 3299 is at -3.359315 -2.177112 2.308577 ESP Fit Center 3300 is at -2.944536 -2.177112 2.308577 ESP Fit Center 3301 is at -3.561047 -1.109284 2.206406 ESP Fit Center 3302 is at -3.860544 -1.408782 2.206406 ESP Fit Center 3303 is at -3.970168 -1.817903 2.206406 ESP Fit Center 3304 is at -3.860544 -2.227024 2.206406 ESP Fit Center 3305 is at -3.561047 -2.526522 2.206406 ESP Fit Center 3306 is at -3.151925 -2.636146 2.206406 ESP Fit Center 3307 is at -2.742804 -2.526522 2.206406 ESP Fit Center 3308 is at -3.751619 -0.779203 2.039221 ESP Fit Center 3309 is at -4.070710 -1.046952 2.039221 ESP Fit Center 3310 is at -4.278981 -1.407688 2.039221 ESP Fit Center 3311 is at -4.351313 -1.817903 2.039221 ESP Fit Center 3312 is at -4.278981 -2.228118 2.039221 ESP Fit Center 3313 is at -4.070710 -2.588854 2.039221 ESP Fit Center 3314 is at -3.751619 -2.856603 2.039221 ESP Fit Center 3315 is at -3.360197 -2.999069 2.039221 ESP Fit Center 3316 is at -2.943654 -2.999069 2.039221 ESP Fit Center 3317 is at -2.552232 -2.856603 2.039221 ESP Fit Center 3318 is at -4.044520 -0.553384 1.811581 ESP Fit Center 3319 is at -4.352584 -0.841095 1.811581 ESP Fit Center 3320 is at -4.571600 -1.201252 1.811581 ESP Fit Center 3321 is at -4.685325 -1.607142 1.811581 ESP Fit Center 3322 is at -4.685325 -2.028664 1.811581 ESP Fit Center 3323 is at -4.571600 -2.434555 1.811581 ESP Fit Center 3324 is at -4.352584 -2.794711 1.811581 ESP Fit Center 3325 is at -4.044520 -3.082422 1.811581 ESP Fit Center 3326 is at -3.670257 -3.276350 1.811581 ESP Fit Center 3327 is at -3.257552 -3.362111 1.811581 ESP Fit Center 3328 is at -2.837013 -3.333345 1.811581 ESP Fit Center 3329 is at -2.439829 -3.192186 1.811581 ESP Fit Center 3330 is at -4.424234 -0.469335 1.529696 ESP Fit Center 3331 is at -4.700940 -0.799100 1.529696 ESP Fit Center 3332 is at -4.894138 -1.183789 1.529696 ESP Fit Center 3333 is at -4.993413 -1.602664 1.529696 ESP Fit Center 3334 is at -4.993413 -2.033142 1.529696 ESP Fit Center 3335 is at -4.894138 -2.452017 1.529696 ESP Fit Center 3336 is at -4.700940 -2.836706 1.529696 ESP Fit Center 3337 is at -4.424234 -3.166471 1.529696 ESP Fit Center 3338 is at -4.078938 -3.423535 1.529696 ESP Fit Center 3339 is at -3.683666 -3.594039 1.529696 ESP Fit Center 3340 is at -3.259727 -3.668791 1.529696 ESP Fit Center 3341 is at -2.829978 -3.643761 1.529696 ESP Fit Center 3342 is at -2.417584 -3.520298 1.529696 ESP Fit Center 3343 is at -4.752647 -0.443729 1.201256 ESP Fit Center 3344 is at -4.996499 -0.794081 1.201256 ESP Fit Center 3345 is at -5.164834 -1.186349 1.201256 ESP Fit Center 3346 is at -5.250761 -1.604472 1.201256 ESP Fit Center 3347 is at -5.250761 -2.031334 1.201256 ESP Fit Center 3348 is at -5.164834 -2.449457 1.201256 ESP Fit Center 3349 is at -4.996499 -2.841725 1.201256 ESP Fit Center 3350 is at -4.752647 -3.192077 1.201256 ESP Fit Center 3351 is at -4.443261 -3.486171 1.201256 ESP Fit Center 3352 is at -4.081007 -3.711965 1.201256 ESP Fit Center 3353 is at -3.680717 -3.860216 1.201256 ESP Fit Center 3354 is at -3.258778 -3.924855 1.201256 ESP Fit Center 3355 is at -2.832464 -3.903235 1.201256 ESP Fit Center 3356 is at -2.419230 -3.796241 1.201256 ESP Fit Center 3357 is at -4.857372 -0.263183 0.835219 ESP Fit Center 3358 is at -5.114013 -0.603030 0.835219 ESP Fit Center 3359 is at -5.303837 -0.984248 0.835219 ESP Fit Center 3360 is at -5.420380 -1.393855 0.835219 ESP Fit Center 3361 is at -5.459674 -1.817903 0.835219 ESP Fit Center 3362 is at -5.420380 -2.241951 0.835219 ESP Fit Center 3363 is at -5.303837 -2.651558 0.835219 ESP Fit Center 3364 is at -5.114013 -3.032776 0.835219 ESP Fit Center 3365 is at -4.857372 -3.372623 0.835219 ESP Fit Center 3366 is at -4.542655 -3.659526 0.835219 ESP Fit Center 3367 is at -4.180578 -3.883715 0.835219 ESP Fit Center 3368 is at -3.783471 -4.037555 0.835219 ESP Fit Center 3369 is at -3.364858 -4.115807 0.835219 ESP Fit Center 3370 is at -2.938993 -4.115807 0.835219 ESP Fit Center 3371 is at -2.520380 -4.037555 0.835219 ESP Fit Center 3372 is at -5.023287 -0.247645 0.441570 ESP Fit Center 3373 is at -5.267529 -0.596459 0.441570 ESP Fit Center 3374 is at -5.447490 -0.982386 0.441570 ESP Fit Center 3375 is at -5.557701 -1.393700 0.441570 ESP Fit Center 3376 is at -5.594814 -1.817903 0.441570 ESP Fit Center 3377 is at -5.557701 -2.242106 0.441570 ESP Fit Center 3378 is at -5.447490 -2.653420 0.441570 ESP Fit Center 3379 is at -5.267529 -3.039347 0.441570 ESP Fit Center 3380 is at -5.023287 -3.388162 0.441570 ESP Fit Center 3381 is at -4.722184 -3.689264 0.441570 ESP Fit Center 3382 is at -4.373370 -3.933507 0.441570 ESP Fit Center 3383 is at -3.987443 -4.113468 0.441570 ESP Fit Center 3384 is at -3.576129 -4.223679 0.441570 ESP Fit Center 3385 is at -3.151925 -4.260792 0.441570 ESP Fit Center 3386 is at -2.727722 -4.223679 0.441570 ESP Fit Center 3387 is at -2.316408 -4.113468 0.441570 ESP Fit Center 3388 is at -5.232639 -0.411586 0.031047 ESP Fit Center 3389 is at -5.440378 -0.783457 0.031047 ESP Fit Center 3390 is at -5.582283 -1.185087 0.031047 ESP Fit Center 3391 is at -5.654271 -1.604922 0.031047 ESP Fit Center 3392 is at -5.654271 -2.030884 0.031047 ESP Fit Center 3393 is at -5.582283 -2.450719 0.031047 ESP Fit Center 3394 is at -5.440378 -2.852349 0.031047 ESP Fit Center 3395 is at -5.232639 -3.224220 0.031047 ESP Fit Center 3396 is at -4.965041 -3.555633 0.031047 ESP Fit Center 3397 is at -4.645283 -3.837056 0.031047 ESP Fit Center 3398 is at -4.282564 -4.060391 0.031047 ESP Fit Center 3399 is at -3.887318 -4.219213 0.031047 ESP Fit Center 3400 is at -3.470917 -4.308955 0.031047 ESP Fit Center 3401 is at -3.045339 -4.327033 0.031047 ESP Fit Center 3402 is at -2.622827 -4.272928 0.031047 ESP Fit Center 3403 is at -4.965041 -0.080173 -0.385153 ESP Fit Center 3404 is at -5.232639 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Center 3620 is at -1.201688 2.561136 3.558293 ESP Fit Center 3621 is at -0.790531 2.561136 3.531345 ESP Fit Center 3622 is at -0.996110 2.917209 3.531345 ESP Fit Center 3623 is at -1.407267 2.917209 3.531345 ESP Fit Center 3624 is at -1.612846 2.561136 3.531345 ESP Fit Center 3625 is at -1.407267 2.205063 3.531345 ESP Fit Center 3626 is at -0.996110 2.205063 3.531345 ESP Fit Center 3627 is at -0.386408 2.561136 3.450960 ESP Fit Center 3628 is at -0.495635 2.968776 3.450960 ESP Fit Center 3629 is at -0.794048 3.267189 3.450960 ESP Fit Center 3630 is at -1.201688 3.376416 3.450960 ESP Fit Center 3631 is at -1.609328 3.267189 3.450960 ESP Fit Center 3632 is at -1.907742 2.968776 3.450960 ESP Fit Center 3633 is at -2.016968 2.561136 3.450960 ESP Fit Center 3634 is at -1.907742 2.153496 3.450960 ESP Fit Center 3635 is at -1.609328 1.855083 3.450960 ESP Fit Center 3636 is at -1.201688 1.745856 3.450960 ESP Fit Center 3637 is at -0.794048 1.855083 3.450960 ESP Fit Center 3638 is at -0.495635 2.153496 3.450960 ESP Fit Center 3639 is at 0.003764 2.561136 3.318514 ESP Fit Center 3640 is at -0.068933 2.973425 3.318514 ESP Fit Center 3641 is at -0.278258 3.335986 3.318514 ESP Fit Center 3642 is at -0.598962 3.605089 3.318514 ESP Fit Center 3643 is at -0.992364 3.748275 3.318514 ESP Fit Center 3644 is at -1.411013 3.748275 3.318514 ESP Fit Center 3645 is at -1.804415 3.605089 3.318514 ESP Fit Center 3646 is at -2.125119 3.335986 3.318514 ESP Fit Center 3647 is at -2.334444 2.973425 3.318514 ESP Fit Center 3648 is at -2.407141 2.561136 3.318514 ESP Fit Center 3649 is at -2.334444 2.148847 3.318514 ESP Fit Center 3650 is at -2.125119 1.786286 3.318514 ESP Fit Center 3651 is at -1.804415 1.517183 3.318514 ESP Fit Center 3652 is at -1.411013 1.373996 3.318514 ESP Fit Center 3653 is at -0.992364 1.373996 3.318514 ESP Fit Center 3654 is at -0.598962 1.517183 3.318514 ESP Fit Center 3655 is at -0.278258 1.786286 3.318514 ESP Fit Center 3656 is at -0.068933 2.148847 3.318514 ESP Fit Center 3657 is at 0.373312 2.561136 3.136273 ESP Fit Center 3658 is at 0.319645 2.968776 3.136273 ESP Fit Center 3659 is at 0.162302 3.348636 3.136273 ESP Fit Center 3660 is at -0.087995 3.674829 3.136273 ESP Fit Center 3661 is at -0.414188 3.925126 3.136273 ESP Fit Center 3662 is at -0.794048 4.082469 3.136273 ESP Fit Center 3663 is at -1.201688 4.136136 3.136273 ESP Fit Center 3664 is at -1.609328 4.082469 3.136273 ESP Fit Center 3665 is at -1.989188 3.925126 3.136273 ESP Fit Center 3666 is at -2.315382 3.674829 3.136273 ESP Fit Center 3667 is at -2.565678 3.348636 3.136273 ESP Fit Center 3668 is at -2.723022 2.968776 3.136273 ESP Fit Center 3669 is at -2.776688 2.561136 3.136273 ESP Fit Center 3670 is at -2.723022 2.153496 3.136273 ESP Fit Center 3671 is at -2.565678 1.773636 3.136273 ESP Fit Center 3672 is at -2.315382 1.447443 3.136273 ESP Fit Center 3673 is at -1.989188 1.197146 3.136273 ESP Fit Center 3674 is at -1.609328 1.039803 3.136273 ESP Fit Center 3675 is at -1.201688 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3694 is at -3.108046 2.768465 2.907356 ESP Fit Center 3695 is at -3.108046 2.353807 2.907356 ESP Fit Center 3696 is at -3.018907 1.948844 2.907356 ESP Fit Center 3697 is at -2.844796 1.572510 2.907356 ESP Fit Center 3698 is at -2.593856 1.242404 2.907356 ESP Fit Center 3699 is at -2.277820 0.973961 2.907356 ESP Fit Center 3700 is at -1.911465 0.779731 2.907356 ESP Fit Center 3701 is at -1.511921 0.668799 2.907356 ESP Fit Center 3702 is at -1.097872 0.646350 2.907356 ESP Fit Center 3703 is at -0.688677 0.713434 2.907356 ESP Fit Center 3704 is at -0.303469 0.866914 2.907356 ESP Fit Center 3705 is at 0.039739 1.099615 2.907356 ESP Fit Center 3706 is at 0.866146 3.388972 2.635680 ESP Fit Center 3707 is at 0.672108 3.765352 2.635680 ESP Fit Center 3708 is at 0.410347 4.098208 2.635680 ESP Fit Center 3709 is at 0.090322 4.375511 2.635680 ESP Fit Center 3710 is at -0.276399 4.587238 2.635680 ESP Fit Center 3711 is at -0.676562 4.725736 2.635680 ESP Fit Center 3712 is at -1.095705 4.785999 2.635680 ESP Fit Center 3713 is at -1.518679 4.765851 2.635680 ESP Fit Center 3714 is at -1.930195 4.666018 2.635680 ESP Fit Center 3715 is at -2.315382 4.490109 2.635680 ESP Fit Center 3716 is at -2.660316 4.244482 2.635680 ESP Fit Center 3717 is at -2.952532 3.938015 2.635680 ESP Fit Center 3718 is at -3.181468 3.581783 2.635680 ESP Fit Center 3719 is at -3.338850 3.188663 2.635680 ESP Fit Center 3720 is at -3.418989 2.772862 2.635680 ESP Fit Center 3721 is at -3.418989 2.349409 2.635680 ESP Fit Center 3722 is at -3.338850 1.933608 2.635680 ESP Fit Center 3723 is at -3.181468 1.540488 2.635680 ESP Fit Center 3724 is at -2.952532 1.184257 2.635680 ESP Fit Center 3725 is at -2.660316 0.877789 2.635680 ESP Fit Center 3726 is at 0.996172 3.750558 2.325892 ESP Fit Center 3727 is at 0.770423 4.096092 2.325892 ESP Fit Center 3728 is at 0.490881 4.399756 2.325892 ESP Fit Center 3729 is at 0.165169 4.653268 2.325892 ESP Fit Center 3730 is at -0.197826 4.849711 2.325892 ESP Fit Center 3731 is 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ESP Fit Center 3750 is at 0.101522 4.957700 1.983293 ESP Fit Center 3751 is at -0.279585 5.128547 1.983293 ESP Fit Center 3752 is at -0.682305 5.239216 1.983293 ESP Fit Center 3753 is at -1.097199 5.287114 1.983293 ESP Fit Center 3754 is at -1.514543 5.271117 1.983293 ESP Fit Center 3755 is at -1.924553 5.191600 1.983293 ESP Fit Center 3756 is at -2.317620 5.050427 1.983293 ESP Fit Center 3757 is at -2.684530 4.850908 1.983293 ESP Fit Center 3758 is at -3.016684 4.597718 1.983293 ESP Fit Center 3759 is at -3.306296 4.296792 1.983293 ESP Fit Center 3760 is at -3.546577 3.955184 1.983293 ESP Fit Center 3761 is at -3.731897 3.580901 1.983293 ESP Fit Center 3762 is at -3.857910 3.182716 1.983293 ESP Fit Center 3763 is at -3.921664 2.769961 1.983293 ESP Fit Center 3764 is at -3.921664 2.352311 1.983293 ESP Fit Center 3765 is at -3.857910 1.939556 1.983293 ESP Fit Center 3766 is at 1.445541 3.770085 1.613746 ESP Fit Center 3767 is at 1.246545 4.134520 1.613746 ESP Fit Center 3768 is at 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Fit Center 3787 is at 1.398025 4.142056 1.223573 ESP Fit Center 3788 is at 1.158542 4.481326 1.223573 ESP Fit Center 3789 is at 0.875093 4.784826 1.223573 ESP Fit Center 3790 is at 0.552957 5.046903 1.223573 ESP Fit Center 3791 is at 0.198136 5.262674 1.223573 ESP Fit Center 3792 is at -0.182762 5.428121 1.223573 ESP Fit Center 3793 is at -0.582640 5.540162 1.223573 ESP Fit Center 3794 is at -0.994050 5.596709 1.223573 ESP Fit Center 3795 is at -1.409327 5.596709 1.223573 ESP Fit Center 3796 is at -1.820737 5.540162 1.223573 ESP Fit Center 3797 is at -2.220615 5.428121 1.223573 ESP Fit Center 3798 is at -2.601513 5.262674 1.223573 ESP Fit Center 3799 is at -2.956334 5.046903 1.223573 ESP Fit Center 3800 is at -3.278470 4.784826 1.223573 ESP Fit Center 3801 is at -3.561919 4.481326 1.223573 ESP Fit Center 3802 is at -3.801402 4.142056 1.223573 ESP Fit Center 3803 is at -3.992456 3.773337 1.223573 ESP Fit Center 3804 is at -4.131524 3.382037 1.223573 ESP Fit Center 3805 is at -4.216015 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3824 is at -3.989071 3.969663 0.819451 ESP Fit Center 3825 is at -4.151938 3.585574 0.819451 ESP Fit Center 3826 is at -4.262159 3.183204 0.819451 ESP Fit Center 3827 is at -4.317766 2.769733 0.819451 ESP Fit Center 3828 is at -4.317766 2.352539 0.819451 ESP Fit Center 3829 is at 1.526292 4.136136 0.408293 ESP Fit Center 3830 is at 1.297375 4.478734 0.408293 ESP Fit Center 3831 is at 1.025698 4.788522 0.408293 ESP Fit Center 3832 is at 0.715910 5.060199 0.408293 ESP Fit Center 3833 is at 0.373312 5.289116 0.408293 ESP Fit Center 3834 is at 0.003764 5.471356 0.408293 ESP Fit Center 3835 is at -0.386408 5.603802 0.408293 ESP Fit Center 3836 is at -0.790531 5.684187 0.408293 ESP Fit Center 3837 is at -1.201688 5.711136 0.408293 ESP Fit Center 3838 is at -1.612846 5.684187 0.408293 ESP Fit Center 3839 is at -2.016968 5.603802 0.408293 ESP Fit Center 3840 is at -2.407141 5.471356 0.408293 ESP Fit Center 3841 is at -2.776688 5.289116 0.408293 ESP Fit Center 3842 is at -3.119287 5.060199 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Center 3861 is at -2.882147 5.193532 -0.002864 ESP Fit Center 3862 is at -3.218017 4.946061 -0.002864 ESP Fit Center 3863 is at -3.517906 4.656031 -0.002864 ESP Fit Center 3864 is at -3.776462 4.328618 -0.002864 ESP Fit Center 3865 is at -3.989071 3.969663 -0.002864 ESP Fit Center 3866 is at -4.151938 3.585574 -0.002864 ESP Fit Center 3867 is at -4.262159 3.183204 -0.002864 ESP Fit Center 3868 is at -4.317766 2.769733 -0.002864 ESP Fit Center 3869 is at -4.317766 2.352539 -0.002864 ESP Fit Center 3870 is at 1.158542 4.481326 -0.406987 ESP Fit Center 3871 is at 0.875093 4.784826 -0.406987 ESP Fit Center 3872 is at 0.552957 5.046903 -0.406987 ESP Fit Center 3873 is at 0.198136 5.262674 -0.406987 ESP Fit Center 3874 is at -0.182762 5.428121 -0.406987 ESP Fit Center 3875 is at -0.582640 5.540162 -0.406987 ESP Fit Center 3876 is at -0.994050 5.596709 -0.406987 ESP Fit Center 3877 is at -1.409327 5.596709 -0.406987 ESP Fit Center 3878 is at -1.820737 5.540162 -0.406987 ESP Fit Center 3879 is 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5.353472 -0.797160 ESP Fit Center 3898 is at -2.410638 5.208365 -0.797160 ESP Fit Center 3899 is at -2.775072 5.009369 -0.797160 ESP Fit Center 3900 is at -3.107478 4.760534 -0.797160 ESP Fit Center 3901 is at -3.401086 4.466925 -0.797160 ESP Fit Center 3902 is at -3.649922 4.134520 -0.797160 ESP Fit Center 3903 is at -3.848918 3.770085 -0.797160 ESP Fit Center 3904 is at -3.994025 3.381040 -0.797160 ESP Fit Center 3905 is at -4.082287 2.975303 -0.797160 ESP Fit Center 3906 is at -4.111909 2.561136 -0.797160 ESP Fit Center 3907 is at -4.082287 2.146968 -0.797160 ESP Fit Center 3908 is at 0.763880 4.452806 -1.166707 ESP Fit Center 3909 is at 0.452082 4.730679 -1.166707 ESP Fit Center 3910 is at 0.101522 4.957700 -1.166707 ESP Fit Center 3911 is at -0.279585 5.128547 -1.166707 ESP Fit Center 3912 is at -0.682305 5.239216 -1.166707 ESP Fit Center 3913 is at -1.097199 5.287114 -1.166707 ESP Fit Center 3914 is at -1.514543 5.271117 -1.166707 ESP Fit Center 3915 is at -1.924553 5.191600 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Fit Center 3934 is at -2.205551 4.849711 -1.509305 ESP Fit Center 3935 is at -2.568546 4.653268 -1.509305 ESP Fit Center 3936 is at -2.894258 4.399756 -1.509305 ESP Fit Center 3937 is at -3.173800 4.096092 -1.509305 ESP Fit Center 3938 is at -3.399549 3.750558 -1.509305 ESP Fit Center 3939 is at -3.565345 3.372580 -1.509305 ESP Fit Center 3940 is at -3.666668 2.972468 -1.509305 ESP Fit Center 3941 is at -3.700751 2.561136 -1.509305 ESP Fit Center 3942 is at -3.666668 2.149803 -1.509305 ESP Fit Center 3943 is at -3.565345 1.749691 -1.509305 ESP Fit Center 3944 is at 0.410347 4.098208 -1.819093 ESP Fit Center 3945 is at 0.090322 4.375511 -1.819093 ESP Fit Center 3946 is at -0.276399 4.587238 -1.819093 ESP Fit Center 3947 is at -0.676562 4.725736 -1.819093 ESP Fit Center 3948 is at -1.095705 4.785999 -1.819093 ESP Fit Center 3949 is at -1.518679 4.765851 -1.819093 ESP Fit Center 3950 is at -1.930195 4.666018 -1.819093 ESP Fit Center 3951 is at -2.315382 4.490109 -1.819093 ESP Fit Center 3952 is at -2.660316 4.244482 -1.819093 ESP Fit Center 3953 is at -2.952532 3.938015 -1.819093 ESP Fit Center 3954 is at -3.181468 3.581783 -1.819093 ESP Fit Center 3955 is at -3.338850 3.188663 -1.819093 ESP Fit Center 3956 is at -3.418989 2.772862 -1.819093 ESP Fit Center 3957 is at -3.418989 2.349409 -1.819093 ESP Fit Center 3958 is at -3.338850 1.933608 -1.819093 ESP Fit Center 3959 is at 0.324898 3.721617 -2.090770 ESP Fit Center 3960 is at 0.039739 4.022657 -2.090770 ESP Fit Center 3961 is at -0.303469 4.255357 -2.090770 ESP Fit Center 3962 is at -0.688677 4.408838 -2.090770 ESP Fit Center 3963 is at -1.097872 4.475922 -2.090770 ESP Fit Center 3964 is at -1.511921 4.453473 -2.090770 ESP Fit Center 3965 is at -1.911465 4.342540 -2.090770 ESP Fit Center 3966 is at -2.277820 4.148311 -2.090770 ESP Fit Center 3967 is at -2.593856 3.879867 -2.090770 ESP Fit Center 3968 is at -2.844796 3.549761 -2.090770 ESP Fit Center 3969 is at -3.018907 3.173428 -2.090770 ESP Fit Center 3970 is at 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2.561136 -2.501927 ESP Fit Center 3989 is at -0.068933 2.973425 -2.501927 ESP Fit Center 3990 is at -0.278258 3.335986 -2.501927 ESP Fit Center 3991 is at -0.598962 3.605089 -2.501927 ESP Fit Center 3992 is at -0.992364 3.748275 -2.501927 ESP Fit Center 3993 is at -1.411013 3.748275 -2.501927 ESP Fit Center 3994 is at -1.804415 3.605089 -2.501927 ESP Fit Center 3995 is at -2.125119 3.335986 -2.501927 ESP Fit Center 3996 is at -2.334444 2.973425 -2.501927 ESP Fit Center 3997 is at -2.407141 2.561136 -2.501927 ESP Fit Center 3998 is at -2.334444 2.148847 -2.501927 ESP Fit Center 3999 is at -2.125119 1.786286 -2.501927 ESP Fit Center 4000 is at -1.804415 1.517183 -2.501927 ESP Fit Center 4001 is at -0.386408 2.561136 -2.634373 ESP Fit Center 4002 is at -0.495635 2.968776 -2.634373 ESP Fit Center 4003 is at -0.794048 3.267189 -2.634373 ESP Fit Center 4004 is at -1.201688 3.376416 -2.634373 ESP Fit Center 4005 is at -1.609328 3.267189 -2.634373 ESP Fit Center 4006 is at -1.907742 2.968776 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Fit Center 4025 is at -0.917740 -0.098658 -2.534889 ESP Fit Center 4026 is at -0.600234 0.320582 -2.697024 ESP Fit Center 4027 is at -0.488453 -0.096591 -2.697024 ESP Fit Center 4028 is at 0.105064 -0.712211 2.414452 ESP Fit Center 4029 is at -0.106123 -1.077996 2.414452 ESP Fit Center 4030 is at -0.406315 -0.660823 2.315546 ESP Fit Center 4031 is at -0.518096 -1.077996 2.315546 ESP Fit Center 4032 is at -0.622748 -0.290084 -2.658024 ESP Fit Center 4033 is at -0.100923 -0.355432 -2.820159 ESP Fit Center 4034 is at -0.406315 -0.660823 -2.820159 ESP Fit Center 4035 is at 0.316250 -1.912342 -2.820159 ESP Fit Center 4036 is at 0.733423 -1.800561 -2.820159 ESP Fit Center 4037 is at 0.738623 -1.077996 -2.919065 ESP Fit Center 4038 is at 0.527437 -0.712211 -2.919065 ESP Fit Center 4039 is at 0.105064 -0.712211 -2.919065 ESP Fit Center 4040 is at -0.106123 -1.077996 -2.919065 ESP Fit Center 4041 is at 0.105064 -1.443782 -2.919065 ESP Fit Center 4042 is at 0.527437 -1.443782 -2.919065 ESP Fit Center 4043 is at 0.316250 -1.077996 -2.952307 ESP Fit Center 4044 is at -0.789604 -1.827446 2.402940 ESP Fit Center 4045 is at -0.367231 -1.827446 2.369699 ESP Fit Center 4046 is at -0.578417 -1.461661 2.369699 ESP Fit Center 4047 is at -1.000790 -1.461661 2.369699 ESP Fit Center 4048 is at -1.211977 -1.827446 2.369699 ESP Fit Center 4049 is at -1.000790 -2.193232 2.369699 ESP Fit Center 4050 is at -0.578417 -2.193232 2.369699 ESP Fit Center 4051 is at -0.789604 -0.993101 2.270793 ESP Fit Center 4052 is at -1.206777 -2.550011 2.270793 ESP Fit Center 4053 is at -0.789604 -2.661792 2.270793 ESP Fit Center 4054 is at -1.402491 -2.888998 2.108658 ESP Fit Center 4055 is at -1.002457 -3.034599 2.108658 ESP Fit Center 4056 is at -1.583114 -3.201846 1.887286 ESP Fit Center 4057 is at -1.200355 -3.360390 1.887286 ESP Fit Center 4058 is at -1.979963 -3.320110 1.612128 ESP Fit Center 4059 is at -1.617970 -3.547566 1.612128 ESP Fit Center 4060 is at -1.214438 -3.688767 1.612128 ESP Fit Center 4061 is at -1.881777 -3.719146 1.289960 ESP Fit Center 4062 is at -2.220046 -3.478265 -1.884080 ESP Fit Center 4063 is at -1.979963 -3.320110 -2.206248 ESP Fit Center 4064 is at -2.164004 -2.620957 -2.481406 ESP Fit Center 4065 is at -1.911796 -2.949639 -2.481406 ESP Fit Center 4066 is at -1.583114 -3.201846 -2.481406 ESP Fit Center 4067 is at -1.200355 -3.360390 -2.481406 ESP Fit Center 4068 is at -0.378853 -3.360390 -2.481406 ESP Fit Center 4069 is at 0.003906 -3.201846 -2.481406 ESP Fit Center 4070 is at -1.002457 -0.620294 -2.702778 ESP Fit Center 4071 is at -1.941455 -2.246686 -2.702778 ESP Fit Center 4072 is at -1.728601 -2.615359 -2.702778 ESP Fit Center 4073 is at -1.402491 -2.888998 -2.702778 ESP Fit Center 4074 is at -1.002457 -3.034599 -2.702778 ESP Fit Center 4075 is at -0.576750 -3.034599 -2.702778 ESP Fit Center 4076 is at -0.176717 -2.888998 -2.702778 ESP Fit Center 4077 is at 0.149394 -2.615359 -2.702778 ESP Fit Center 4078 is at 0.044742 -1.827446 -2.864913 ESP Fit Center 4079 is at -0.372431 -1.104882 -2.864913 ESP Fit Center 4080 is at -0.789604 -0.993101 -2.864913 ESP Fit Center 4081 is at -1.206777 -1.104882 -2.864913 ESP Fit Center 4082 is at -1.512168 -1.410274 -2.864913 ESP Fit Center 4083 is at -1.623950 -1.827446 -2.864913 ESP Fit Center 4084 is at -1.512168 -2.244619 -2.864913 ESP Fit Center 4085 is at -1.206777 -2.550011 -2.864913 ESP Fit Center 4086 is at -0.789604 -2.661792 -2.864913 ESP Fit Center 4087 is at -0.372431 -2.550011 -2.864913 ESP Fit Center 4088 is at -0.067039 -2.244619 -2.864913 ESP Fit Center 4089 is at -0.367231 -1.827446 -2.963818 ESP Fit Center 4090 is at -0.578417 -1.461661 -2.963818 ESP Fit Center 4091 is at -1.000790 -1.461661 -2.963818 ESP Fit Center 4092 is at -1.211977 -1.827446 -2.963818 ESP Fit Center 4093 is at -1.000790 -2.193232 -2.963818 ESP Fit Center 4094 is at -0.578417 -2.193232 -2.963818 ESP Fit Center 4095 is at -0.789604 -1.827446 -2.997060 ESP Fit Center 4096 is at 1.991876 3.908933 0.321411 ESP Fit Center 4097 is at 1.610754 4.078620 0.321411 ESP Fit Center 4098 is at 2.171059 3.942176 -0.083790 ESP Fit Center 4099 is at 1.804799 4.137946 -0.083790 ESP Fit Center 4100 is at 1.407384 4.258500 -0.083790 ESP Fit Center 4101 is at 2.247009 3.940194 -0.505185 ESP Fit Center 4102 is at 1.891382 4.145516 -0.505185 ESP Fit Center 4103 is at 1.503325 4.279823 -0.505185 ESP Fit Center 4104 is at 2.492089 3.678713 -0.926580 ESP Fit Center 4105 is at 2.171059 3.942176 -0.926580 ESP Fit Center 4106 is at 1.804799 4.137946 -0.926580 ESP Fit Center 4107 is at 1.407384 4.258500 -0.926580 ESP Fit Center 4108 is at 2.329389 3.663715 -1.331782 ESP Fit Center 4109 is at 1.991876 3.908933 -1.331782 ESP Fit Center 4110 is at 1.610754 4.078620 -1.331782 ESP Fit Center 4111 is at 1.202681 4.165358 -1.331782 ESP Fit Center 4112 is at 2.066567 3.621303 -1.705217 ESP Fit Center 4113 is at 1.705435 3.829803 -1.705217 ESP Fit Center 4114 is at 1.305954 3.949400 -1.705217 ESP Fit Center 4115 is at 0.889659 3.973646 -1.705217 ESP Fit Center 4116 is at 2.036584 3.296953 -2.032536 ESP Fit Center 4117 is at 1.696767 3.536823 -2.032536 ESP Fit Center 4118 is at 1.304835 3.676115 -2.032536 ESP Fit Center 4119 is at 0.889856 3.704500 -2.032536 ESP Fit Center 4120 is at 1.202469 3.362511 -2.301160 ESP Fit Center 4121 is at 0.785703 3.362511 -2.301160 ESP Fit Center 4122 is at 0.394070 3.219968 -2.301160 ESP Fit Center 4123 is at 4.254282 2.434526 2.372003 ESP Fit Center 4124 is at 4.045898 2.795456 2.372003 ESP Fit Center 4125 is at 3.726637 3.063349 2.372003 ESP Fit Center 4126 is at 4.653971 2.024091 2.103379 ESP Fit Center 4127 is at 4.597333 2.436165 2.103379 ESP Fit Center 4128 is at 4.431619 2.817678 2.103379 ESP Fit Center 4129 is at 4.169119 3.140333 2.103379 ESP Fit Center 4130 is at 3.829301 3.380203 2.103379 ESP Fit Center 4131 is at 3.437369 3.519495 2.103379 ESP Fit Center 4132 is at 3.022391 3.547881 2.103379 ESP Fit Center 4133 is at 4.922595 2.024091 1.776060 ESP Fit Center 4134 is at 4.874184 2.438271 1.776060 ESP Fit Center 4135 is at 4.731562 2.830122 1.776060 ESP Fit Center 4136 is at 4.502417 3.178521 1.776060 ESP Fit Center 4137 is at 4.199102 3.464683 1.776060 ESP Fit Center 4138 is at 3.837970 3.673183 1.776060 ESP Fit Center 4139 is at 3.438488 3.792780 1.776060 ESP Fit Center 4140 is at 3.022194 3.817027 1.776060 ESP Fit Center 4141 is at 5.122200 2.024091 1.402625 ESP Fit Center 4142 is at 5.078592 2.438995 1.402625 ESP Fit Center 4143 is at 4.949674 2.835766 1.402625 ESP Fit Center 4144 is at 4.741079 3.197063 1.402625 ESP Fit Center 4145 is at 4.461924 3.507095 1.402625 ESP Fit Center 4146 is at 4.124411 3.752313 1.402625 ESP Fit Center 4147 is at 3.743289 3.922000 1.402625 ESP Fit Center 4148 is at 3.335216 4.008738 1.402625 ESP Fit Center 4149 is at 2.918026 4.008738 1.402625 ESP Fit Center 4150 is at 2.509953 3.922000 1.402625 ESP Fit Center 4151 is at 5.078592 1.609186 1.402625 ESP Fit Center 4152 is at 5.245117 2.024091 0.997424 ESP Fit Center 4153 is at 5.204411 2.437389 0.997424 ESP Fit Center 4154 is at 5.083856 2.834804 0.997424 ESP Fit Center 4155 is at 4.888086 3.201064 0.997424 ESP Fit Center 4156 is at 4.624624 3.522094 0.997424 ESP Fit Center 4157 is at 4.303594 3.785556 0.997424 ESP Fit Center 4158 is at 3.937334 3.981326 0.997424 ESP Fit Center 4159 is at 3.539919 4.101881 0.997424 ESP Fit Center 4160 is at 3.126621 4.142587 0.997424 ESP Fit Center 4161 is at 2.713323 4.101881 0.997424 ESP Fit Center 4162 is at 2.315907 3.981326 0.997424 ESP Fit Center 4163 is at 5.083856 1.213377 0.997424 ESP Fit Center 4164 is at 5.204411 1.610793 0.997424 ESP Fit Center 4165 is at 5.286621 2.024091 0.576029 ESP Fit Center 4166 is at 5.247587 2.432873 0.576029 ESP Fit Center 4167 is at 5.131895 2.826882 0.576029 ESP Fit Center 4168 is at 4.943728 3.191875 0.576029 ESP Fit Center 4169 is at 4.689886 3.514661 0.576029 ESP Fit Center 4170 is at 4.379544 3.783575 0.576029 ESP Fit Center 4171 is at 4.023917 3.988896 0.576029 ESP Fit Center 4172 is at 3.635860 4.123204 0.576029 ESP Fit Center 4173 is at 3.229398 4.181644 0.576029 ESP Fit Center 4174 is at 2.819221 4.162105 0.576029 ESP Fit Center 4175 is at 2.420154 4.065292 0.576029 ESP Fit Center 4176 is at 5.131895 1.221300 0.576029 ESP Fit Center 4177 is at 5.247587 1.615308 0.576029 ESP Fit Center 4178 is at 5.245117 2.024091 0.154634 ESP Fit Center 4179 is at 5.204411 2.437389 0.154634 ESP Fit Center 4180 is at 5.083856 2.834804 0.154634 ESP Fit Center 4181 is at 4.888086 3.201064 0.154634 ESP Fit Center 4182 is at 4.624624 3.522094 0.154634 ESP Fit Center 4183 is at 4.303594 3.785556 0.154634 ESP Fit Center 4184 is at 3.937334 3.981326 0.154634 ESP Fit Center 4185 is at 3.539919 4.101881 0.154634 ESP Fit Center 4186 is at 3.126621 4.142587 0.154634 ESP Fit Center 4187 is at 2.713323 4.101881 0.154634 ESP Fit Center 4188 is at 2.315907 3.981326 0.154634 ESP Fit Center 4189 is at 5.083856 1.213377 0.154634 ESP Fit Center 4190 is at 5.204411 1.610793 0.154634 ESP Fit Center 4191 is at 5.122200 2.024091 -0.250567 ESP Fit Center 4192 is at 5.078592 2.438995 -0.250567 ESP Fit Center 4193 is at 4.949674 2.835766 -0.250567 ESP Fit Center 4194 is at 4.741079 3.197063 -0.250567 ESP Fit Center 4195 is at 4.461924 3.507095 -0.250567 ESP Fit Center 4196 is at 4.124411 3.752313 -0.250567 ESP Fit Center 4197 is at 3.743289 3.922000 -0.250567 ESP Fit Center 4198 is at 3.335216 4.008738 -0.250567 ESP Fit Center 4199 is at 2.918026 4.008738 -0.250567 ESP Fit Center 4200 is at 2.509953 3.922000 -0.250567 ESP Fit Center 4201 is at 4.949674 1.212415 -0.250567 ESP Fit Center 4202 is at 5.078592 1.609186 -0.250567 ESP Fit Center 4203 is at 4.922595 2.024091 -0.624003 ESP Fit Center 4204 is at 4.874184 2.438271 -0.624003 ESP Fit Center 4205 is at 4.731562 2.830122 -0.624003 ESP Fit Center 4206 is at 4.502417 3.178521 -0.624003 ESP Fit Center 4207 is at 4.199102 3.464683 -0.624003 ESP Fit Center 4208 is at 3.837970 3.673183 -0.624003 ESP Fit Center 4209 is at 3.438488 3.792780 -0.624003 ESP Fit Center 4210 is at 3.022194 3.817027 -0.624003 ESP Fit Center 4211 is at 2.611529 3.744615 -0.624003 ESP Fit Center 4212 is at 4.731562 1.218059 -0.624003 ESP Fit Center 4213 is at 4.874184 1.609910 -0.624003 ESP Fit Center 4214 is at 4.653971 2.024091 -0.951322 ESP Fit Center 4215 is at 4.597333 2.436165 -0.951322 ESP Fit Center 4216 is at 4.431619 2.817678 -0.951322 ESP Fit Center 4217 is at 4.169119 3.140333 -0.951322 ESP Fit Center 4218 is at 3.829301 3.380203 -0.951322 ESP Fit Center 4219 is at 3.437369 3.519495 -0.951322 ESP Fit Center 4220 is at 3.022391 3.547881 -0.951322 ESP Fit Center 4221 is at 4.597333 1.612016 -0.951322 ESP Fit Center 4222 is at 4.326652 2.024091 -1.219946 ESP Fit Center 4223 is at 4.254282 2.434526 -1.219946 ESP Fit Center 4224 is at 4.045898 2.795456 -1.219946 ESP Fit Center 4225 is at 3.726637 3.063349 -1.219946 ESP Fit Center 4226 is at 3.335004 3.205891 -1.219946 ESP Fit Center 4227 is at 1.856985 1.538268 3.852954 ESP Fit Center 4228 is at 2.278380 1.538268 3.811450 ESP Fit Center 4229 is at 2.067683 1.903207 3.811450 ESP Fit Center 4230 is at 1.646287 1.903207 3.811450 ESP Fit Center 4231 is at 1.435590 1.538268 3.811450 ESP Fit Center 4232 is at 1.646287 1.173329 3.811450 ESP Fit Center 4233 is at 2.067683 1.173329 3.811450 ESP Fit Center 4234 is at 2.683581 1.538268 3.688534 ESP Fit Center 4235 is at 2.572838 1.951566 3.688534 ESP Fit Center 4236 is at 2.270283 2.254121 3.688534 ESP Fit Center 4237 is at 1.856985 2.364864 3.688534 ESP Fit Center 4238 is at 1.443687 2.254121 3.688534 ESP Fit Center 4239 is at 1.141132 1.951566 3.688534 ESP Fit Center 4240 is at 1.030389 1.538268 3.688534 ESP Fit Center 4241 is at 1.141132 1.124970 3.688534 ESP Fit Center 4242 is at 1.443687 0.822414 3.688534 ESP Fit Center 4243 is at 1.856985 0.711671 3.688534 ESP Fit Center 4244 is at 2.270283 0.822414 3.688534 ESP Fit Center 4245 is at 2.572838 1.124970 3.688534 ESP Fit Center 4246 is at 3.057017 1.538268 3.488928 ESP Fit Center 4247 is at 2.984646 1.948703 3.488928 ESP Fit Center 4248 is at 2.776263 2.309633 3.488928 ESP Fit Center 4249 is at 2.457001 2.577526 3.488928 ESP Fit Center 4250 is at 2.065368 2.720068 3.488928 ESP Fit Center 4251 is at 1.648602 2.720068 3.488928 ESP Fit Center 4252 is at 1.256969 2.577526 3.488928 ESP Fit Center 4253 is at 0.937707 2.309633 3.488928 ESP Fit Center 4254 is at 0.729324 1.948703 3.488928 ESP Fit Center 4255 is at 0.656953 1.538268 3.488928 ESP Fit Center 4256 is at 0.729324 1.127833 3.488928 ESP Fit Center 4257 is at 0.937707 0.766902 3.488928 ESP Fit Center 4258 is at 1.256969 0.499010 3.488928 ESP Fit Center 4259 is at 1.648602 0.356467 3.488928 ESP Fit Center 4260 is at 2.065368 0.356467 3.488928 ESP Fit Center 4261 is at 2.457001 0.499010 3.488928 ESP Fit Center 4262 is at 2.776263 0.766902 3.488928 ESP Fit Center 4263 is at 2.984646 1.127833 3.488928 ESP Fit Center 4264 is at 3.161983 2.331855 3.220305 ESP Fit Center 4265 is at 2.899483 2.654510 3.220305 ESP Fit Center 4266 is at 2.559666 2.894380 3.220305 ESP Fit Center 4267 is at 2.167734 3.033672 3.220305 ESP Fit Center 4268 is at 1.752755 3.062058 3.220305 ESP Fit Center 4269 is at 1.345506 2.977431 3.220305 ESP Fit Center 4270 is at 0.976192 2.786067 3.220305 ESP Fit Center 4271 is at 0.672202 2.502160 3.220305 ESP Fit Center 4272 is at 0.456082 2.146766 3.220305 ESP Fit Center 4273 is at 0.343860 1.746242 3.220305 ESP Fit Center 4274 is at 0.343860 1.330293 3.220305 ESP Fit Center 4275 is at 0.456082 0.929770 3.220305 ESP Fit Center 4276 is at 0.672202 0.574375 3.220305 ESP Fit Center 4277 is at 0.976192 0.290468 3.220305 ESP Fit Center 4278 is at 1.345506 0.099105 3.220305 ESP Fit Center 4279 is at 2.929466 2.978860 2.892986 ESP Fit Center 4280 is at 2.568334 3.187360 2.892986 ESP Fit Center 4281 is at 2.168853 3.306957 2.892986 ESP Fit Center 4282 is at 1.752558 3.331204 2.892986 ESP Fit Center 4283 is at 1.341894 3.258792 2.892986 ESP Fit Center 4284 is at 0.958998 3.093627 2.892986 ESP Fit Center 4285 is at 0.169321 0.924008 2.892986 ESP Fit Center 4286 is at 0.356470 0.551364 2.892986 ESP Fit Center 4287 is at 0.624513 0.231923 2.892986 ESP Fit Center 4288 is at 2.473653 3.436177 2.519550 ESP Fit Center 4289 is at 2.065580 3.522915 2.519550 ESP Fit Center 4290 is at 1.648390 3.522915 2.519550 ESP Fit Center 4291 is at 1.240317 3.436177 2.519550 ESP Fit Center 4292 is at 2.270283 3.616058 2.114349 ESP Fit Center 4293 is at 1.856985 3.656764 2.114349 ESP Fit Center 4294 is at 1.443687 3.616058 2.114349 ESP Fit Center 4295 is at 1.549585 3.676282 1.692954 ESP Fit Center 4296 is at -3.644594 0.986188 2.252590 ESP Fit Center 4297 is at -3.755337 0.572890 2.252590 ESP Fit Center 4298 is at -3.848018 1.344255 2.052984 ESP Fit Center 4299 is at -4.056401 0.983325 2.052984 ESP Fit Center 4300 is at -4.128772 0.572890 2.052984 ESP Fit Center 4301 is at -4.056401 0.162455 2.052984 ESP Fit Center 4302 is at -4.113524 1.536783 1.784361 ESP Fit Center 4303 is at -4.329644 1.181388 1.784361 ESP Fit Center 4304 is at -4.441865 0.780864 1.784361 ESP Fit Center 4305 is at -4.441865 0.364916 1.784361 ESP Fit Center 4306 is at -4.329644 -0.035608 1.784361 ESP Fit Center 4307 is at -4.113524 -0.391003 1.784361 ESP Fit Center 4308 is at -4.161213 1.879234 1.457042 ESP Fit Center 4309 is at -4.429255 1.559794 1.457042 ESP Fit Center 4310 is at -4.616404 1.187149 1.457042 ESP Fit Center 4311 is at -4.712571 0.781390 1.457042 ESP Fit Center 4312 is at -4.712571 0.364390 1.457042 ESP Fit Center 4313 is at -4.616404 -0.041369 1.457042 ESP Fit Center 4314 is at -4.264044 2.055895 1.083606 ESP Fit Center 4315 is at -4.543198 1.745862 1.083606 ESP Fit Center 4316 is at -4.751793 1.384565 1.083606 ESP Fit Center 4317 is at -4.880712 0.987794 1.083606 ESP Fit Center 4318 is at -4.924320 0.572890 1.083606 ESP Fit Center 4319 is at -4.880712 0.157986 1.083606 ESP Fit Center 4320 is at -4.751793 -0.238785 1.083606 ESP Fit Center 4321 is at -4.426744 2.070893 0.678405 ESP Fit Center 4322 is at -4.690206 1.749863 0.678405 ESP Fit Center 4323 is at -4.885976 1.383603 0.678405 ESP Fit Center 4324 is at -5.006530 0.986188 0.678405 ESP Fit Center 4325 is at -5.047237 0.572890 0.678405 ESP Fit Center 4326 is at -5.006530 0.159592 0.678405 ESP Fit Center 4327 is at -4.343240 2.205309 0.257010 ESP Fit Center 4328 is at -4.626615 1.908113 0.257010 ESP Fit Center 4329 is at -4.848625 1.562659 0.257010 ESP Fit Center 4330 is at -5.001245 1.181432 0.257010 ESP Fit Center 4331 is at -5.078960 0.778211 0.257010 ESP Fit Center 4332 is at -5.078960 0.367569 0.257010 ESP Fit Center 4333 is at -5.001245 -0.035652 0.257010 ESP Fit Center 4334 is at -4.426744 2.070893 -0.164385 ESP Fit Center 4335 is at -4.690206 1.749863 -0.164385 ESP Fit Center 4336 is at -4.885976 1.383603 -0.164385 ESP Fit Center 4337 is at -5.006530 0.986188 -0.164385 ESP Fit Center 4338 is at -5.047237 0.572890 -0.164385 ESP Fit Center 4339 is at -5.006530 0.159592 -0.164385 ESP Fit Center 4340 is at -4.264044 2.055895 -0.569586 ESP Fit Center 4341 is at -4.543198 1.745862 -0.569586 ESP Fit Center 4342 is at -4.751793 1.384565 -0.569586 ESP Fit Center 4343 is at -4.880712 0.987794 -0.569586 ESP Fit Center 4344 is at -4.924320 0.572890 -0.569586 ESP Fit Center 4345 is at -4.880712 0.157986 -0.569586 ESP Fit Center 4346 is at -4.161213 1.879234 -0.943022 ESP Fit Center 4347 is at -4.429255 1.559794 -0.943022 ESP Fit Center 4348 is at -4.616404 1.187149 -0.943022 ESP Fit Center 4349 is at -4.712571 0.781390 -0.943022 ESP Fit Center 4350 is at -4.712571 0.364390 -0.943022 ESP Fit Center 4351 is at -3.809534 1.820689 -1.270341 ESP Fit Center 4352 is at -4.113524 1.536783 -1.270341 ESP Fit Center 4353 is at -4.329644 1.181388 -1.270341 ESP Fit Center 4354 is at -4.441865 0.780864 -1.270341 ESP Fit Center 4355 is at -4.441865 0.364916 -1.270341 ESP Fit Center 4356 is at -3.848018 1.344255 -1.538964 ESP Fit Center 4357 is at -4.056401 0.983325 -1.538964 ESP Fit Center 4358 is at 4.193558 -2.616339 -0.675437 ESP Fit Center 4359 is at 3.683716 -3.369473 -1.087410 ESP Fit Center 4360 is at 3.915678 -3.014428 -1.087410 ESP Fit Center 4361 is at 4.086039 -2.626045 -1.087410 ESP Fit Center 4362 is at 3.740732 -2.995124 -1.478838 ESP Fit Center 4363 is at 3.917955 -2.615069 -1.478838 ESP Fit Center 4364 is at 3.685196 -2.604104 -1.840084 ESP Fit Center 4365 is at 3.377439 -2.620631 -2.162252 ESP Fit Center 4366 is at 3.518641 -2.217099 -2.162252 ESP Fit Center 4367 is at 3.190263 -2.203016 -2.437410 ESP Fit Center 4368 is at 2.883094 -1.792265 -2.658782 ESP Fit Center 4369 is at 2.491665 -1.792265 -2.820917 ESP Fit Center 4370 is at 2.379884 -1.375092 -2.820917 ESP Fit Center 4371 is at 0.822974 -1.792265 -2.820917 ESP Fit Center 4372 is at 2.079693 -1.792265 -2.919822 ESP Fit Center 4373 is at 1.868506 -1.426479 -2.919822 ESP Fit Center 4374 is at 1.446133 -1.426479 -2.919822 ESP Fit Center 4375 is at -1.329321 -3.931721 1.400276 ESP Fit Center 4376 is at -0.937688 -4.074264 1.400276 ESP Fit Center 4377 is at -1.914088 -3.856356 1.131652 ESP Fit Center 4378 is at -1.610098 -4.140263 1.131652 ESP Fit Center 4379 is at -1.240784 -4.331626 1.131652 ESP Fit Center 4380 is at -0.833535 -4.416253 1.131652 ESP Fit Center 4381 is at -1.961777 -4.198808 0.804333 ESP Fit Center 4382 is at -1.627292 -4.447823 0.804333 ESP Fit Center 4383 is at -1.244396 -4.612988 0.804333 ESP Fit Center 4384 is at -0.833732 -4.685399 0.804333 ESP Fit Center 4385 is at -0.417437 -4.661153 0.804333 ESP Fit Center 4386 is at -2.064609 -4.375468 0.430898 ESP Fit Center 4387 is at -1.727095 -4.620686 0.430898 ESP Fit Center 4388 is at -1.345973 -4.790373 0.430898 ESP Fit Center 4389 is at -0.937900 -4.877111 0.430898 ESP Fit Center 4390 is at -0.520710 -4.877111 0.430898 ESP Fit Center 4391 is at -0.112637 -4.790373 0.430898 ESP Fit Center 4392 is at -2.227308 -4.390466 0.025697 ESP Fit Center 4393 is at -1.906278 -4.653929 0.025697 ESP Fit Center 4394 is at -1.540018 -4.849699 0.025697 ESP Fit Center 4395 is at -1.142603 -4.970253 0.025697 ESP Fit Center 4396 is at -0.729305 -5.010960 0.025697 ESP Fit Center 4397 is at -0.316007 -4.970253 0.025697 ESP Fit Center 4398 is at 0.081408 -4.849699 0.025697 ESP Fit Center 4399 is at 0.447668 -4.653929 0.025697 ESP Fit Center 4400 is at -2.427180 -4.227687 -0.395698 ESP Fit Center 4401 is at -2.143804 -4.524883 -0.395698 ESP Fit Center 4402 is at -1.809305 -4.763078 -0.395698 ESP Fit Center 4403 is at -1.435772 -4.933665 -0.395698 ESP Fit Center 4404 is at -1.036705 -5.030478 -0.395698 ESP Fit Center 4405 is at -0.626528 -5.050017 -0.395698 ESP Fit Center 4406 is at -0.220066 -4.991576 -0.395698 ESP Fit Center 4407 is at 0.167991 -4.857269 -0.395698 ESP Fit Center 4408 is at 0.523618 -4.651947 -0.395698 ESP Fit Center 4409 is at -2.227308 -4.390466 -0.817093 ESP Fit Center 4410 is at -1.906278 -4.653929 -0.817093 ESP Fit Center 4411 is at -1.540018 -4.849699 -0.817093 ESP Fit Center 4412 is at -1.142603 -4.970253 -0.817093 ESP Fit Center 4413 is at -0.729305 -5.010960 -0.817093 ESP Fit Center 4414 is at -0.316007 -4.970253 -0.817093 ESP Fit Center 4415 is at 0.081408 -4.849699 -0.817093 ESP Fit Center 4416 is at 0.447668 -4.653929 -0.817093 ESP Fit Center 4417 is at -2.343763 -4.065436 -1.222294 ESP Fit Center 4418 is at -2.064609 -4.375468 -1.222294 ESP Fit Center 4419 is at -1.727095 -4.620686 -1.222294 ESP Fit Center 4420 is at -1.345973 -4.790373 -1.222294 ESP Fit Center 4421 is at -0.937900 -4.877111 -1.222294 ESP Fit Center 4422 is at -0.520710 -4.877111 -1.222294 ESP Fit Center 4423 is at -0.112637 -4.790373 -1.222294 ESP Fit Center 4424 is at 0.268485 -4.620686 -1.222294 ESP Fit Center 4425 is at -2.229820 -3.879367 -1.595730 ESP Fit Center 4426 is at -1.961777 -4.198808 -1.595730 ESP Fit Center 4427 is at -1.627292 -4.447823 -1.595730 ESP Fit Center 4428 is at -1.244396 -4.612988 -1.595730 ESP Fit Center 4429 is at -0.833732 -4.685399 -1.595730 ESP Fit Center 4430 is at -0.417437 -4.661153 -1.595730 ESP Fit Center 4431 is at -0.017956 -4.541556 -1.595730 ESP Fit Center 4432 is at 0.343176 -4.333056 -1.595730 ESP Fit Center 4433 is at -1.914088 -3.856356 -1.923049 ESP Fit Center 4434 is at -1.610098 -4.140263 -1.923049 ESP Fit Center 4435 is at -1.240784 -4.331626 -1.923049 ESP Fit Center 4436 is at -0.833535 -4.416253 -1.923049 ESP Fit Center 4437 is at -0.418556 -4.387868 -1.923049 ESP Fit Center 4438 is at -0.026624 -4.248575 -1.923049 ESP Fit Center 4439 is at -1.648583 -3.663829 -2.191673 ESP Fit Center 4440 is at -1.329321 -3.931721 -2.191673 ESP Fit Center 4441 is at -0.937688 -4.074264 -2.191673 ESP Fit Center 4442 is at -0.520922 -4.074264 -2.191673 ESP Fit Center 4443 is at -0.129289 -3.931721 -2.191673 ESP Fit Center 4444 is at -1.142603 -3.608317 -2.391278 ESP Fit Center 4445 is at -0.729305 -3.719060 -2.391278 ESP Fit Center 4446 is at -0.316007 -3.608317 -2.391278 ESP Fit Center 4447 is at 3.116009 -0.036234 3.069184 ESP Fit Center 4448 is at 3.731908 0.328705 2.946267 ESP Fit Center 4449 is at 3.621165 -0.084593 2.946267 ESP Fit Center 4450 is at 4.105343 0.328705 2.746662 ESP Fit Center 4451 is at 3.824589 -0.442661 2.746662 ESP Fit Center 4452 is at 4.032973 -0.081730 2.746662 ESP Fit Center 4453 is at 4.432662 0.328705 2.478038 ESP Fit Center 4454 is at 3.947810 -0.787538 2.478038 ESP Fit Center 4455 is at 4.210310 -0.464882 2.478038 ESP Fit Center 4456 is at 4.376024 -0.083369 2.478038 ESP Fit Center 4457 is at 4.701286 0.328705 2.150719 ESP Fit Center 4458 is at 4.281108 -0.825725 2.150719 ESP Fit Center 4459 is at 4.510253 -0.477327 2.150719 ESP Fit Center 4460 is at 4.652875 -0.085475 2.150719 ESP Fit Center 4461 is at 4.900892 0.328705 1.777284 ESP Fit Center 4462 is at 4.857283 0.743609 1.777284 ESP Fit Center 4463 is at 4.519770 -0.844267 1.777284 ESP Fit Center 4464 is at 4.728365 -0.482971 1.777284 ESP Fit Center 4465 is at 4.857283 -0.086199 1.777284 ESP Fit Center 4466 is at 5.023808 0.328705 1.372083 ESP Fit Center 4467 is at 4.983102 0.742003 1.372083 ESP Fit Center 4468 is at 4.403315 -1.169298 1.372083 ESP Fit Center 4469 is at 4.666777 -0.848269 1.372083 ESP Fit Center 4470 is at 4.862547 -0.482008 1.372083 ESP Fit Center 4471 is at 4.983102 -0.084593 1.372083 ESP Fit Center 4472 is at 5.065312 0.328705 0.950687 ESP Fit Center 4473 is at 4.468577 -1.161866 0.950687 ESP Fit Center 4474 is at 4.722419 -0.839079 0.950687 ESP Fit Center 4475 is at 4.910587 -0.474086 0.950687 ESP Fit Center 4476 is at 5.026278 -0.080078 0.950687 ESP Fit Center 4477 is at 5.023808 0.328705 0.529292 ESP Fit Center 4478 is at 4.403315 -1.169298 0.529292 ESP Fit Center 4479 is at 4.666777 -0.848269 0.529292 ESP Fit Center 4480 is at 4.862547 -0.482008 0.529292 ESP Fit Center 4481 is at 4.983102 -0.084593 0.529292 ESP Fit Center 4482 is at 4.900892 0.328705 0.124091 ESP Fit Center 4483 is at 4.519770 -0.844267 0.124091 ESP Fit Center 4484 is at 4.728365 -0.482971 0.124091 ESP Fit Center 4485 is at 4.857283 -0.086199 0.124091 ESP Fit Center 4486 is at 4.701286 0.328705 -0.249344 ESP Fit Center 4487 is at 4.510253 -0.477327 -0.249344 ESP Fit Center 4488 is at 4.652875 -0.085475 -0.249344 ESP Fit Center 4489 is at 4.376024 -0.083369 -0.576663 ESP Fit Center 4490 is at 1.698863 3.253504 -2.289396 ESP Fit Center 4491 is at 2.406799 3.053186 -2.710791 ESP Fit Center 4492 is at 2.009384 3.173740 -2.710791 ESP Fit Center 4493 is at 1.596086 3.214447 -2.710791 ESP Fit Center 4494 is at 1.182788 3.173740 -2.710791 ESP Fit Center 4495 is at 0.785372 3.053186 -2.710791 ESP Fit Center 4496 is at 0.419112 2.857416 -2.710791 ESP Fit Center 4497 is at 0.098083 2.593954 -2.710791 ESP Fit Center 4498 is at -0.165379 2.272924 -2.710791 ESP Fit Center 4499 is at -0.361150 1.906664 -2.710791 ESP Fit Center 4500 is at -0.481704 1.509249 -2.710791 ESP Fit Center 4501 is at -0.522410 1.095950 -2.710791 ESP Fit Center 4502 is at -0.481704 0.682652 -2.710791 ESP Fit Center 4503 is at 2.931389 2.578955 -3.115992 ESP Fit Center 4504 is at 2.593876 2.824173 -3.115992 ESP Fit Center 4505 is at 2.212754 2.993860 -3.115992 ESP Fit Center 4506 is at 1.804681 3.080598 -3.115992 ESP Fit Center 4507 is at 1.387491 3.080598 -3.115992 ESP Fit Center 4508 is at 0.979418 2.993860 -3.115992 ESP Fit Center 4509 is at 0.598296 2.824173 -3.115992 ESP Fit Center 4510 is at 0.260782 2.578955 -3.115992 ESP Fit Center 4511 is at -0.018372 2.268923 -3.115992 ESP Fit Center 4512 is at -0.226967 1.907626 -3.115992 ESP Fit Center 4513 is at -0.355886 1.510855 -3.115992 ESP Fit Center 4514 is at -0.399494 1.095950 -3.115992 ESP Fit Center 4515 is at -0.355886 0.681046 -3.115992 ESP Fit Center 4516 is at -0.226967 0.284275 -3.115992 ESP Fit Center 4517 is at -0.018372 -0.077022 -3.115992 ESP Fit Center 4518 is at 0.260782 -0.387054 -3.115992 ESP Fit Center 4519 is at 0.598296 -0.632272 -3.115992 ESP Fit Center 4520 is at 2.971882 2.250381 -3.489427 ESP Fit Center 4521 is at 2.668567 2.536543 -3.489427 ESP Fit Center 4522 is at 2.307435 2.745043 -3.489427 ESP Fit Center 4523 is at 1.907953 2.864640 -3.489427 ESP Fit Center 4524 is at 1.491659 2.888886 -3.489427 ESP Fit Center 4525 is at 1.080995 2.816475 -3.489427 ESP Fit Center 4526 is at 0.698099 2.651310 -3.489427 ESP Fit Center 4527 is at 0.363613 2.402295 -3.489427 ESP Fit Center 4528 is at 0.095571 2.082855 -3.489427 ESP Fit Center 4529 is at -0.091578 1.710210 -3.489427 ESP Fit Center 4530 is at -0.187745 1.304450 -3.489427 ESP Fit Center 4531 is at -0.187745 0.887451 -3.489427 ESP Fit Center 4532 is at -0.091578 0.481691 -3.489427 ESP Fit Center 4533 is at 0.095571 0.109046 -3.489427 ESP Fit Center 4534 is at 0.363613 -0.210394 -3.489427 ESP Fit Center 4535 is at 0.698099 -0.459409 -3.489427 ESP Fit Center 4536 is at 1.080995 -0.624574 -3.489427 ESP Fit Center 4537 is at 1.491659 -0.696985 -3.489427 ESP Fit Center 4538 is at 3.123436 1.095950 -3.816746 ESP Fit Center 4539 is at 3.066798 1.508025 -3.816746 ESP Fit Center 4540 is at 2.901084 1.889537 -3.816746 ESP Fit Center 4541 is at 2.638584 2.212193 -3.816746 ESP Fit Center 4542 is at 2.298766 2.452063 -3.816746 ESP Fit Center 4543 is at 1.906834 2.591355 -3.816746 ESP Fit Center 4544 is at 1.491856 2.619741 -3.816746 ESP Fit Center 4545 is at 1.084607 2.535113 -3.816746 ESP Fit Center 4546 is at 0.715293 2.343750 -3.816746 ESP Fit Center 4547 is at 0.411303 2.059843 -3.816746 ESP Fit Center 4548 is at 0.195183 1.704449 -3.816746 ESP Fit Center 4549 is at 0.082961 1.303925 -3.816746 ESP Fit Center 4550 is at 0.082961 0.887976 -3.816746 ESP Fit Center 4551 is at 0.195183 0.487452 -3.816746 ESP Fit Center 4552 is at 0.411303 0.132058 -3.816746 ESP Fit Center 4553 is at 0.715293 -0.151849 -3.816746 ESP Fit Center 4554 is at 1.084607 -0.343212 -3.816746 ESP Fit Center 4555 is at 1.491856 -0.427840 -3.816746 ESP Fit Center 4556 is at 1.906834 -0.399454 -3.816746 ESP Fit Center 4557 is at 2.298766 -0.260162 -3.816746 ESP Fit Center 4558 is at 2.796117 1.095950 -4.085370 ESP Fit Center 4559 is at 2.723747 1.506385 -4.085370 ESP Fit Center 4560 is at 2.515363 1.867316 -4.085370 ESP Fit Center 4561 is at 2.196102 2.135208 -4.085370 ESP Fit Center 4562 is at 1.804469 2.277751 -4.085370 ESP Fit Center 4563 is at 1.387702 2.277751 -4.085370 ESP Fit Center 4564 is at 0.996070 2.135208 -4.085370 ESP Fit Center 4565 is at 0.676808 1.867316 -4.085370 ESP Fit Center 4566 is at 0.468425 1.506385 -4.085370 ESP Fit Center 4567 is at 0.396054 1.095950 -4.085370 ESP Fit Center 4568 is at 0.468425 0.685515 -4.085370 ESP Fit Center 4569 is at 0.676808 0.324585 -4.085370 ESP Fit Center 4570 is at 0.996070 0.056693 -4.085370 ESP Fit Center 4571 is at 1.387702 -0.085850 -4.085370 ESP Fit Center 4572 is at 1.804469 -0.085850 -4.085370 ESP Fit Center 4573 is at 2.196102 0.056693 -4.085370 ESP Fit Center 4574 is at 2.515363 0.324585 -4.085370 ESP Fit Center 4575 is at 2.723747 0.685515 -4.085370 ESP Fit Center 4576 is at 2.422682 1.095950 -4.284976 ESP Fit Center 4577 is at 2.311939 1.509249 -4.284976 ESP Fit Center 4578 is at 2.009384 1.811804 -4.284976 ESP Fit Center 4579 is at 1.596086 1.922547 -4.284976 ESP Fit Center 4580 is at 1.182788 1.811804 -4.284976 ESP Fit Center 4581 is at 0.880232 1.509249 -4.284976 ESP Fit Center 4582 is at 0.769490 1.095950 -4.284976 ESP Fit Center 4583 is at 0.880232 0.682652 -4.284976 ESP Fit Center 4584 is at 1.182788 0.380097 -4.284976 ESP Fit Center 4585 is at 1.596086 0.269354 -4.284976 ESP Fit Center 4586 is at 2.009384 0.380097 -4.284976 ESP Fit Center 4587 is at 2.311939 0.682652 -4.284976 ESP Fit Center 4588 is at 2.017481 1.095950 -4.407892 ESP Fit Center 4589 is at 1.806783 1.460889 -4.407892 ESP Fit Center 4590 is at 1.385388 1.460889 -4.407892 ESP Fit Center 4591 is at 1.174691 1.095950 -4.407892 ESP Fit Center 4592 is at 1.385388 0.731012 -4.407892 ESP Fit Center 4593 is at 1.806783 0.731012 -4.407892 ESP Fit Center 4594 is at 1.596086 1.095950 -4.449396 ESP Fit Center 4595 is at 4.445786 -1.161249 0.218654 ESP Fit Center 4596 is at 4.568703 -1.161249 -0.186547 ESP Fit Center 4597 is at 4.527997 -0.747951 -0.186547 ESP Fit Center 4598 is at 4.527997 -1.574547 -0.186547 ESP Fit Center 4599 is at 4.610207 -1.161249 -0.607943 ESP Fit Center 4600 is at 4.571173 -0.752467 -0.607943 ESP Fit Center 4601 is at 4.455481 -0.358458 -0.607943 ESP Fit Center 4602 is at 4.455481 -1.964040 -0.607943 ESP Fit Center 4603 is at 4.571173 -1.570032 -0.607943 ESP Fit Center 4604 is at 4.568703 -1.161249 -1.029338 ESP Fit Center 4605 is at 4.527997 -0.747951 -1.029338 ESP Fit Center 4606 is at 4.407442 -0.350536 -1.029338 ESP Fit Center 4607 is at 4.211672 -2.338223 -1.029338 ESP Fit Center 4608 is at 4.407442 -1.971963 -1.029338 ESP Fit Center 4609 is at 4.527997 -1.574547 -1.029338 ESP Fit Center 4610 is at 4.445786 -1.161249 -1.434539 ESP Fit Center 4611 is at 4.402178 -0.746345 -1.434539 ESP Fit Center 4612 is at 4.064665 -2.334222 -1.434539 ESP Fit Center 4613 is at 4.273259 -1.972925 -1.434539 ESP Fit Center 4614 is at 4.402178 -1.576154 -1.434539 ESP Fit Center 4615 is at 4.246181 -1.161249 -1.807974 ESP Fit Center 4616 is at 4.197770 -0.747069 -1.807974 ESP Fit Center 4617 is at 3.826003 -2.315679 -1.807974 ESP Fit Center 4618 is at 4.055148 -1.967281 -1.807974 ESP Fit Center 4619 is at 4.197770 -1.575430 -1.807974 ESP Fit Center 4620 is at 3.977557 -1.161249 -2.135293 ESP Fit Center 4621 is at 3.755205 -1.954836 -2.135293 ESP Fit Center 4622 is at 3.920919 -1.573324 -2.135293 ESP Fit Center 4623 is at 3.650238 -1.161249 -2.403917 ESP Fit Center 4624 is at 3.369484 -1.932615 -2.403917 ESP Fit Center 4625 is at 3.577868 -1.571684 -2.403917 ESP Fit Center 4626 is at 3.276803 -1.161249 -2.603522 ESP Fit Center 4627 is at 3.166060 -1.574547 -2.603522 ESP Fit Center 4628 is at 0.765402 -4.564725 -0.540529 ESP Fit Center 4629 is at 1.162818 -4.685280 -0.540529 ESP Fit Center 4630 is at 1.576116 -4.725986 -0.540529 ESP Fit Center 4631 is at 1.989414 -4.685280 -0.540529 ESP Fit Center 4632 is at 2.386829 -4.564725 -0.540529 ESP Fit Center 4633 is at 2.753089 -4.368955 -0.540529 ESP Fit Center 4634 is at 0.869649 -4.648691 -0.961924 ESP Fit Center 4635 is at 1.268716 -4.745504 -0.961924 ESP Fit Center 4636 is at 1.678893 -4.765043 -0.961924 ESP Fit Center 4637 is at 2.085355 -4.706603 -0.961924 ESP Fit Center 4638 is at 2.473412 -4.572295 -0.961924 ESP Fit Center 4639 is at 2.829039 -4.366974 -0.961924 ESP Fit Center 4640 is at 3.139381 -4.098060 -0.961924 ESP Fit Center 4641 is at 3.393223 -3.775274 -0.961924 ESP Fit Center 4642 is at 0.765402 -4.564725 -1.383319 ESP Fit Center 4643 is at 1.162818 -4.685280 -1.383319 ESP Fit Center 4644 is at 1.576116 -4.725986 -1.383319 ESP Fit Center 4645 is at 1.989414 -4.685280 -1.383319 ESP Fit Center 4646 is at 2.386829 -4.564725 -1.383319 ESP Fit Center 4647 is at 2.753089 -4.368955 -1.383319 ESP Fit Center 4648 is at 3.074119 -4.105493 -1.383319 ESP Fit Center 4649 is at 3.337581 -3.784463 -1.383319 ESP Fit Center 4650 is at 3.533351 -3.418203 -1.383319 ESP Fit Center 4651 is at 0.578326 -4.335712 -1.788520 ESP Fit Center 4652 is at 0.959448 -4.505399 -1.788520 ESP Fit Center 4653 is at 1.367521 -4.592137 -1.788520 ESP Fit Center 4654 is at 1.784711 -4.592137 -1.788520 ESP Fit Center 4655 is at 2.192784 -4.505399 -1.788520 ESP Fit Center 4656 is at 2.573906 -4.335712 -1.788520 ESP Fit Center 4657 is at 2.911419 -4.090494 -1.788520 ESP Fit Center 4658 is at 3.190574 -3.780462 -1.788520 ESP Fit Center 4659 is at 3.399169 -3.419165 -1.788520 ESP Fit Center 4660 is at 3.528087 -3.022394 -1.788520 ESP Fit Center 4661 is at 0.343643 -3.913834 -2.161956 ESP Fit Center 4662 is at 0.678129 -4.162849 -2.161956 ESP Fit Center 4663 is at 1.061025 -4.328014 -2.161956 ESP Fit Center 4664 is at 1.471689 -4.400426 -2.161956 ESP Fit Center 4665 is at 1.887984 -4.376179 -2.161956 ESP Fit Center 4666 is at 2.287465 -4.256582 -2.161956 ESP Fit Center 4667 is at 2.648597 -4.048082 -2.161956 ESP Fit Center 4668 is at 2.951912 -3.761920 -2.161956 ESP Fit Center 4669 is at 3.181057 -3.413522 -2.161956 ESP Fit Center 4670 is at 3.323679 -3.021670 -2.161956 ESP Fit Center 4671 is at 3.103466 -2.607490 -2.489275 ESP Fit Center 4672 is at 0.175213 -3.215988 -2.489275 ESP Fit Center 4673 is at 0.391333 -3.571382 -2.489275 ESP Fit Center 4674 is at 0.695323 -3.855289 -2.489275 ESP Fit Center 4675 is at 1.064637 -4.046653 -2.489275 ESP Fit Center 4676 is at 1.471886 -4.131280 -2.489275 ESP Fit Center 4677 is at 1.886865 -4.102894 -2.489275 ESP Fit Center 4678 is at 2.278796 -3.963602 -2.489275 ESP Fit Center 4679 is at 2.618614 -3.723732 -2.489275 ESP Fit Center 4680 is at 2.881114 -3.401077 -2.489275 ESP Fit Center 4681 is at 3.046828 -3.019564 -2.489275 ESP Fit Center 4682 is at 2.776148 -2.607490 -2.757898 ESP Fit Center 4683 is at 2.703777 -2.197055 -2.757898 ESP Fit Center 4684 is at 0.448455 -2.197055 -2.757898 ESP Fit Center 4685 is at 0.376084 -2.607490 -2.757898 ESP Fit Center 4686 is at 0.448455 -3.017925 -2.757898 ESP Fit Center 4687 is at 0.656838 -3.378855 -2.757898 ESP Fit Center 4688 is at 0.976100 -3.646748 -2.757898 ESP Fit Center 4689 is at 1.367733 -3.789290 -2.757898 ESP Fit Center 4690 is at 1.784499 -3.789290 -2.757898 ESP Fit Center 4691 is at 2.176132 -3.646748 -2.757898 ESP Fit Center 4692 is at 2.495393 -3.378855 -2.757898 ESP Fit Center 4693 is at 2.703777 -3.017925 -2.757898 ESP Fit Center 4694 is at 2.402712 -2.607490 -2.957504 ESP Fit Center 4695 is at 2.291969 -2.194192 -2.957504 ESP Fit Center 4696 is at 1.989414 -1.891636 -2.957504 ESP Fit Center 4697 is at 1.576116 -1.780893 -2.957504 ESP Fit Center 4698 is at 1.162818 -1.891636 -2.957504 ESP Fit Center 4699 is at 0.860263 -2.194192 -2.957504 ESP Fit Center 4700 is at 0.749520 -2.607490 -2.957504 ESP Fit Center 4701 is at 0.860263 -3.020788 -2.957504 ESP Fit Center 4702 is at 1.162818 -3.323343 -2.957504 ESP Fit Center 4703 is at 1.576116 -3.434086 -2.957504 ESP Fit Center 4704 is at 1.989414 -3.323343 -2.957504 ESP Fit Center 4705 is at 2.291969 -3.020788 -2.957504 ESP Fit Center 4706 is at 1.997511 -2.607490 -3.080420 ESP Fit Center 4707 is at 1.786813 -2.242551 -3.080420 ESP Fit Center 4708 is at 1.365418 -2.242551 -3.080420 ESP Fit Center 4709 is at 1.154721 -2.607490 -3.080420 ESP Fit Center 4710 is at 1.365418 -2.972429 -3.080420 ESP Fit Center 4711 is at 1.786813 -2.972429 -3.080420 ESP Fit Center 4712 is at 1.576116 -2.607490 -3.121924 ESP Fit Center 4713 is at 1.781211 -2.734944 3.797833 ESP Fit Center 4714 is at 2.203584 -2.734944 3.797833 ESP Fit Center 4715 is at 1.269833 -2.786331 3.698927 ESP Fit Center 4716 is at 1.575225 -3.091723 3.698927 ESP Fit Center 4717 is at 1.992398 -3.203504 3.698927 ESP Fit Center 4718 is at 2.409570 -3.091723 3.698927 ESP Fit Center 4719 is at 2.714962 -2.786331 3.698927 ESP Fit Center 4720 is at 3.218172 -2.369158 3.536792 ESP Fit Center 4721 is at 0.766623 -2.369158 3.536792 ESP Fit Center 4722 is at 0.840546 -2.788397 3.536792 ESP Fit Center 4723 is at 1.779544 -3.576310 3.536792 ESP Fit Center 4724 is at 2.205251 -3.576310 3.536792 ESP Fit Center 4725 is at 2.605285 -3.430710 3.536792 ESP Fit Center 4726 is at 2.931395 -3.157070 3.536792 ESP Fit Center 4727 is at 3.144249 -2.788397 3.536792 ESP Fit Center 4728 is at 3.579418 -2.369158 3.315421 ESP Fit Center 4729 is at 0.405377 -2.369158 3.315421 ESP Fit Center 4730 is at 1.992398 -3.956178 3.315421 ESP Fit Center 4731 is at 2.403149 -3.902102 3.315421 ESP Fit Center 4732 is at 2.785908 -3.743558 3.315421 ESP Fit Center 4733 is at 3.114590 -3.491351 3.315421 ESP Fit Center 4734 is at 3.366797 -3.162668 3.315421 ESP Fit Center 4735 is at 3.525341 -2.779909 3.315421 ESP Fit Center 4736 is at 3.901586 -2.369158 3.040263 ESP Fit Center 4737 is at 3.853718 -1.944323 3.040263 ESP Fit Center 4738 is at 0.131077 -1.944323 3.040263 ESP Fit Center 4739 is at 2.417232 -4.230479 3.040263 ESP Fit Center 4740 is at 2.820763 -4.089277 3.040263 ESP Fit Center 4741 is at 3.182757 -3.861821 3.040263 ESP Fit Center 4742 is at 4.137269 -1.955768 2.718095 ESP Fit Center 4743 is at 4.020274 -1.557318 2.718095 ESP Fit Center 4744 is at -0.103467 -1.753756 2.718095 ESP Fit Center 4745 is at 2.507377 -4.491930 2.718095 ESP Fit Center 4746 is at 2.899808 -4.356109 2.718095 ESP Fit Center 4747 is at 4.253033 -1.546354 2.356849 ESP Fit Center 4748 is at -0.268238 -1.546354 2.356849 ESP Fit Center 4749 is at 2.410146 -4.738327 2.356849 ESP Fit Center 4750 is at 2.815201 -4.629793 2.356849 ESP Fit Center 4751 is at 4.250756 -1.146995 1.965421 ESP Fit Center 4752 is at 2.622768 -4.858435 1.965421 ESP Fit Center 4753 is at 4.368497 -1.158475 1.553448 ESP Fit Center 4754 is at 2.409570 -5.003084 1.553448 ESP Fit Center 4755 is at 2.506454 -5.019770 1.131075 ESP Fit Center 4756 is at 1.992398 -5.035916 0.708702 ESP Fit Center 4757 is at 2.409570 -5.003084 0.708702 ESP Fit Center 4758 is at 1.780346 -4.928240 0.296729 ESP Fit Center 4759 is at 2.204449 -4.928240 0.296729 ESP Fit Center 4760 is at 2.622768 -4.858435 0.296729 ESP Fit Center 4761 is at 1.574649 -4.738327 -0.094700 ESP Fit Center 4762 is at 1.992398 -4.774875 -0.094700 ESP Fit Center 4763 is at 2.410146 -4.738327 -0.094700 ESP Fit Center 4764 is at 2.507377 -4.491930 -0.455946 ESP Fit Center 4765 is at 2.899808 -4.356109 -0.455946 ESP Fit Center 4766 is at 3.794839 -2.842453 3.099850 ESP Fit Center 4767 is at 3.684096 -3.255751 3.099850 ESP Fit Center 4768 is at 4.168274 -2.842453 2.900245 ESP Fit Center 4769 is at 4.095904 -2.432018 2.900245 ESP Fit Center 4770 is at 3.568258 -3.881710 2.900245 ESP Fit Center 4771 is at 3.887520 -3.613818 2.900245 ESP Fit Center 4772 is at 4.095904 -3.252888 2.900245 ESP Fit Center 4773 is at 4.495593 -2.842453 2.631621 ESP Fit Center 4774 is at 4.438955 -2.430378 2.631621 ESP Fit Center 4775 is at 4.273241 -2.048866 2.631621 ESP Fit Center 4776 is at 3.278991 -4.337857 2.631621 ESP Fit Center 4777 is at 3.670923 -4.198565 2.631621 ESP Fit Center 4778 is at 4.010741 -3.958695 2.631621 ESP Fit Center 4779 is at 4.273241 -3.636039 2.631621 ESP Fit Center 4780 is at 4.438955 -3.254527 2.631621 ESP Fit Center 4781 is at 4.764217 -2.842453 2.304302 ESP Fit Center 4782 is at 4.715806 -2.428272 2.304302 ESP Fit Center 4783 is at 4.573184 -2.036421 2.304302 ESP Fit Center 4784 is at 4.344039 -1.688022 2.304302 ESP Fit Center 4785 is at 3.280110 -4.611142 2.304302 ESP Fit Center 4786 is at 3.679592 -4.491545 2.304302 ESP Fit Center 4787 is at 4.040724 -4.283045 2.304302 ESP Fit Center 4788 is at 4.344039 -3.996883 2.304302 ESP Fit Center 4789 is at 4.573184 -3.648484 2.304302 ESP Fit Center 4790 is at 4.715806 -3.256633 2.304302 ESP Fit Center 4791 is at 4.963822 -2.842453 1.930867 ESP Fit Center 4792 is at 4.920214 -2.427548 1.930867 ESP Fit Center 4793 is at 4.791295 -2.030777 1.930867 ESP Fit Center 4794 is at 4.582701 -1.669480 1.930867 ESP Fit Center 4795 is at 3.176838 -4.827100 1.930867 ESP Fit Center 4796 is at 3.584911 -4.740362 1.930867 ESP Fit Center 4797 is at 3.966033 -4.570675 1.930867 ESP Fit Center 4798 is at 4.303546 -4.325457 1.930867 ESP Fit Center 4799 is at 4.582701 -4.015425 1.930867 ESP Fit Center 4800 is at 4.791295 -3.654128 1.930867 ESP Fit Center 4801 is at 4.920214 -3.257357 1.930867 ESP Fit Center 4802 is at 5.086739 -2.842453 1.525666 ESP Fit Center 4803 is at 5.046033 -2.429154 1.525666 ESP Fit Center 4804 is at 4.925478 -2.031739 1.525666 ESP Fit Center 4805 is at 4.729708 -1.665479 1.525666 ESP Fit Center 4806 is at 4.466246 -1.344450 1.525666 ESP Fit Center 4807 is at 2.968243 -4.960949 1.525666 ESP Fit Center 4808 is at 3.381541 -4.920242 1.525666 ESP Fit Center 4809 is at 3.778956 -4.799688 1.525666 ESP Fit Center 4810 is at 4.145216 -4.603918 1.525666 ESP Fit Center 4811 is at 4.466246 -4.340456 1.525666 ESP Fit Center 4812 is at 4.729708 -4.019426 1.525666 ESP Fit Center 4813 is at 4.925478 -3.653166 1.525666 ESP Fit Center 4814 is at 5.046033 -3.255751 1.525666 ESP Fit Center 4815 is at 5.128243 -2.842453 1.104271 ESP Fit Center 4816 is at 5.089209 -2.433670 1.104271 ESP Fit Center 4817 is at 4.973517 -2.039662 1.104271 ESP Fit Center 4818 is at 4.785350 -1.674668 1.104271 ESP Fit Center 4819 is at 4.531508 -1.351882 1.104271 ESP Fit Center 4820 is at 3.071020 -5.000006 1.104271 ESP Fit Center 4821 is at 3.477482 -4.941566 1.104271 ESP Fit Center 4822 is at 3.865539 -4.807258 1.104271 ESP Fit Center 4823 is at 4.221166 -4.601937 1.104271 ESP Fit Center 4824 is at 4.531508 -4.333023 1.104271 ESP Fit Center 4825 is at 4.785350 -4.010237 1.104271 ESP Fit Center 4826 is at 4.973517 -3.645243 1.104271 ESP Fit Center 4827 is at 5.089209 -3.251235 1.104271 ESP Fit Center 4828 is at 5.086739 -2.842453 0.682875 ESP Fit Center 4829 is at 5.046033 -2.429154 0.682875 ESP Fit Center 4830 is at 4.925478 -2.031739 0.682875 ESP Fit Center 4831 is at 4.729708 -1.665479 0.682875 ESP Fit Center 4832 is at 4.466246 -1.344450 0.682875 ESP Fit Center 4833 is at 2.968243 -4.960949 0.682875 ESP Fit Center 4834 is at 3.381541 -4.920242 0.682875 ESP Fit Center 4835 is at 3.778956 -4.799688 0.682875 ESP Fit Center 4836 is at 4.145216 -4.603918 0.682875 ESP Fit Center 4837 is at 4.466246 -4.340456 0.682875 ESP Fit Center 4838 is at 4.729708 -4.019426 0.682875 ESP Fit Center 4839 is at 4.925478 -3.653166 0.682875 ESP Fit Center 4840 is at 5.046033 -3.255751 0.682875 ESP Fit Center 4841 is at 4.963822 -2.842453 0.277674 ESP Fit Center 4842 is at 4.920214 -2.427548 0.277674 ESP Fit Center 4843 is at 4.791295 -2.030777 0.277674 ESP Fit Center 4844 is at 4.582701 -1.669480 0.277674 ESP Fit Center 4845 is at 2.759648 -4.827100 0.277674 ESP Fit Center 4846 is at 3.176838 -4.827100 0.277674 ESP Fit Center 4847 is at 3.584911 -4.740362 0.277674 ESP Fit Center 4848 is at 3.966033 -4.570675 0.277674 ESP Fit Center 4849 is at 4.303546 -4.325457 0.277674 ESP Fit Center 4850 is at 4.582701 -4.015425 0.277674 ESP Fit Center 4851 is at 4.791295 -3.654128 0.277674 ESP Fit Center 4852 is at 4.920214 -3.257357 0.277674 ESP Fit Center 4853 is at 4.764217 -2.842453 -0.095761 ESP Fit Center 4854 is at 4.715806 -2.428272 -0.095761 ESP Fit Center 4855 is at 4.573184 -2.036421 -0.095761 ESP Fit Center 4856 is at 2.863816 -4.635388 -0.095761 ESP Fit Center 4857 is at 3.280110 -4.611142 -0.095761 ESP Fit Center 4858 is at 3.679592 -4.491545 -0.095761 ESP Fit Center 4859 is at 4.040724 -4.283045 -0.095761 ESP Fit Center 4860 is at 4.344039 -3.996883 -0.095761 ESP Fit Center 4861 is at 4.573184 -3.648484 -0.095761 ESP Fit Center 4862 is at 4.715806 -3.256633 -0.095761 ESP Fit Center 4863 is at 4.495593 -2.842453 -0.423080 ESP Fit Center 4864 is at 4.438955 -2.430378 -0.423080 ESP Fit Center 4865 is at 3.278991 -4.337857 -0.423080 ESP Fit Center 4866 is at 3.670923 -4.198565 -0.423080 ESP Fit Center 4867 is at 4.010741 -3.958695 -0.423080 ESP Fit Center 4868 is at 4.273241 -3.636039 -0.423080 ESP Fit Center 4869 is at 4.438955 -3.254527 -0.423080 ESP Fit Center 4870 is at 4.168274 -2.842453 -0.691704 ESP Fit Center 4871 is at 3.568258 -3.881710 -0.691704 ESP Fit Center 4872 is at 3.887520 -3.613818 -0.691704 ESP Fit Center 4873 is at 4.095904 -3.252888 -0.691704 ESP Fit Center 4874 is at 0.843077 -3.113634 3.549224 ESP Fit Center 4875 is at 1.053774 -3.478573 3.549224 ESP Fit Center 4876 is at 1.475169 -3.478573 3.549224 ESP Fit Center 4877 is at 0.548618 -2.700336 3.426307 ESP Fit Center 4878 is at 0.437875 -3.113634 3.426307 ESP Fit Center 4879 is at 0.548618 -3.526932 3.426307 ESP Fit Center 4880 is at 0.851174 -3.829488 3.426307 ESP Fit Center 4881 is at 1.264472 -3.940230 3.426307 ESP Fit Center 4882 is at 1.677770 -3.829488 3.426307 ESP Fit Center 4883 is at 0.136811 -2.703199 3.226702 ESP Fit Center 4884 is at 0.064440 -3.113634 3.226702 ESP Fit Center 4885 is at 0.136811 -3.524069 3.226702 ESP Fit Center 4886 is at 0.345194 -3.885000 3.226702 ESP Fit Center 4887 is at 0.664456 -4.152892 3.226702 ESP Fit Center 4888 is at 1.056088 -4.295435 3.226702 ESP Fit Center 4889 is at 1.472855 -4.295435 3.226702 ESP Fit Center 4890 is at 1.864488 -4.152892 3.226702 ESP Fit Center 4891 is at -0.136432 -2.505136 2.958078 ESP Fit Center 4892 is at -0.248653 -2.905660 2.958078 ESP Fit Center 4893 is at -0.248653 -3.321608 2.958078 ESP Fit Center 4894 is at -0.136432 -3.722132 2.958078 ESP Fit Center 4895 is at 0.079689 -4.077527 2.958078 ESP Fit Center 4896 is at 0.383679 -4.361434 2.958078 ESP Fit Center 4897 is at 0.752993 -4.552797 2.958078 ESP Fit Center 4898 is at 1.160242 -4.637424 2.958078 ESP Fit Center 4899 is at 1.575220 -4.609039 2.958078 ESP Fit Center 4900 is at 1.967152 -4.469746 2.958078 ESP Fit Center 4901 is at -0.423192 -2.499375 2.630759 ESP Fit Center 4902 is at -0.519359 -2.905134 2.630759 ESP Fit Center 4903 is at -0.519359 -3.322134 2.630759 ESP Fit Center 4904 is at -0.423192 -3.727894 2.630759 ESP Fit Center 4905 is at -0.236043 -4.100538 2.630759 ESP Fit Center 4906 is at 0.031999 -4.419979 2.630759 ESP Fit Center 4907 is at 0.366485 -4.668994 2.630759 ESP Fit Center 4908 is at 0.749380 -4.834159 2.630759 ESP Fit Center 4909 is at 1.160045 -4.906570 2.630759 ESP Fit Center 4910 is at 1.576339 -4.882324 2.630759 ESP Fit Center 4911 is at 1.975821 -4.762727 2.630759 ESP Fit Center 4912 is at -0.687500 -2.698730 2.257324 ESP Fit Center 4913 is at -0.731108 -3.113634 2.257324 ESP Fit Center 4914 is at -0.687500 -3.528539 2.257324 ESP Fit Center 4915 is at -0.558581 -3.925310 2.257324 ESP Fit Center 4916 is at -0.349986 -4.286607 2.257324 ESP Fit Center 4917 is at -0.070832 -4.596639 2.257324 ESP Fit Center 4918 is at 0.266682 -4.841857 2.257324 ESP Fit Center 4919 is at 0.647804 -5.011543 2.257324 ESP Fit Center 4920 is at 1.055877 -5.098282 2.257324 ESP Fit Center 4921 is at 1.473067 -5.098282 2.257324 ESP Fit Center 4922 is at 1.881140 -5.011543 2.257324 ESP Fit Center 4923 is at 2.262262 -4.841857 2.257324 ESP Fit Center 4924 is at -0.813318 -3.526932 1.852123 ESP Fit Center 4925 is at -0.692764 -3.924348 1.852123 ESP Fit Center 4926 is at -0.496994 -4.290608 1.852123 ESP Fit Center 4927 is at -0.233531 -4.611637 1.852123 ESP Fit Center 4928 is at 0.087498 -4.875099 1.852123 ESP Fit Center 4929 is at 0.453758 -5.070870 1.852123 ESP Fit Center 4930 is at 0.851174 -5.191424 1.852123 ESP Fit Center 4931 is at 1.264472 -5.232130 1.852123 ESP Fit Center 4932 is at 1.677770 -5.191424 1.852123 ESP Fit Center 4933 is at 2.075185 -5.070870 1.852123 ESP Fit Center 4934 is at -0.655413 -4.103404 1.430728 ESP Fit Center 4935 is at -0.433403 -4.448858 1.430728 ESP Fit Center 4936 is at -0.150027 -4.746053 1.430728 ESP Fit Center 4937 is at 0.184472 -4.984249 1.430728 ESP Fit Center 4938 is at 0.558005 -5.154836 1.430728 ESP Fit Center 4939 is at 0.957072 -5.251649 1.430728 ESP Fit Center 4940 is at 1.367249 -5.271188 1.430728 ESP Fit Center 4941 is at 1.773711 -5.212747 1.430728 ESP Fit Center 4942 is at 2.161768 -5.078439 1.430728 ESP Fit Center 4943 is at -0.233531 -4.611637 1.009333 ESP Fit Center 4944 is at 0.087498 -4.875099 1.009333 ESP Fit Center 4945 is at 0.453758 -5.070870 1.009333 ESP Fit Center 4946 is at 0.851174 -5.191424 1.009333 ESP Fit Center 4947 is at 1.264472 -5.232130 1.009333 ESP Fit Center 4948 is at 1.677770 -5.191424 1.009333 ESP Fit Center 4949 is at 2.075185 -5.070870 1.009333 ESP Fit Center 4950 is at 0.266682 -4.841857 0.604131 ESP Fit Center 4951 is at 0.647804 -5.011543 0.604131 ESP Fit Center 4952 is at 1.055877 -5.098282 0.604131 ESP Fit Center 4953 is at 1.473067 -5.098282 0.604131 ESP Fit Center 4954 is at 0.366485 -4.668994 0.230696 ESP Fit Center 4955 is at 0.749380 -4.834159 0.230696 ESP Fit Center 4956 is at 1.160045 -4.906570 0.230696 ESP Fit Center 4957 is at 1.576339 -4.882324 0.230696 ESP Fit Center 4958 is at 0.752993 -4.552797 -0.096623 ESP Fit Center 4959 is at 1.160242 -4.637424 -0.096623 ESP Fit Center 4960 is at 2.013470 -1.601578 4.056182 ESP Fit Center 4961 is at 2.434865 -1.601578 4.014678 ESP Fit Center 4962 is at 2.224168 -1.236639 4.014678 ESP Fit Center 4963 is at 1.802773 -1.236639 4.014678 ESP Fit Center 4964 is at 1.592075 -1.601578 4.014678 ESP Fit Center 4965 is at 1.802773 -1.966517 4.014678 ESP Fit Center 4966 is at 2.224168 -1.966517 4.014678 ESP Fit Center 4967 is at 2.840067 -1.601578 3.891762 ESP Fit Center 4968 is at 2.729324 -1.188280 3.891762 ESP Fit Center 4969 is at 2.426768 -0.885725 3.891762 ESP Fit Center 4970 is at 2.013470 -0.774982 3.891762 ESP Fit Center 4971 is at 1.600172 -0.885725 3.891762 ESP Fit Center 4972 is at 1.297617 -1.188280 3.891762 ESP Fit Center 4973 is at 1.186874 -1.601578 3.891762 ESP Fit Center 4974 is at 1.297617 -2.014876 3.891762 ESP Fit Center 4975 is at 1.600172 -2.317432 3.891762 ESP Fit Center 4976 is at 2.013470 -2.428174 3.891762 ESP Fit Center 4977 is at 2.426768 -2.317432 3.891762 ESP Fit Center 4978 is at 2.729324 -2.014876 3.891762 ESP Fit Center 4979 is at 3.213502 -1.601578 3.692156 ESP Fit Center 4980 is at 3.141131 -1.191143 3.692156 ESP Fit Center 4981 is at 2.932748 -0.830213 3.692156 ESP Fit Center 4982 is at 2.613486 -0.562320 3.692156 ESP Fit Center 4983 is at 2.221854 -0.419778 3.692156 ESP Fit Center 4984 is at 1.805087 -0.419778 3.692156 ESP Fit Center 4985 is at 1.413454 -0.562320 3.692156 ESP Fit Center 4986 is at 1.094193 -0.830213 3.692156 ESP Fit Center 4987 is at 0.885809 -1.191143 3.692156 ESP Fit Center 4988 is at 0.813439 -1.601578 3.692156 ESP Fit Center 4989 is at 0.885809 -2.012013 3.692156 ESP Fit Center 4990 is at 1.094193 -2.372944 3.692156 ESP Fit Center 4991 is at 2.932748 -2.372944 3.692156 ESP Fit Center 4992 is at 3.141131 -2.012013 3.692156 ESP Fit Center 4993 is at 3.540821 -1.601578 3.423533 ESP Fit Center 4994 is at 3.484183 -1.189504 3.423533 ESP Fit Center 4995 is at 3.318468 -0.807991 3.423533 ESP Fit Center 4996 is at 3.055968 -0.485335 3.423533 ESP Fit Center 4997 is at 2.716151 -0.245466 3.423533 ESP Fit Center 4998 is at 2.324219 -0.106174 3.423533 ESP Fit Center 4999 is at 1.909240 -0.077788 3.423533 ESP Fit Center 5000 is at 1.501992 -0.162415 3.423533 ESP Fit Center 5001 is at 1.132677 -0.353779 3.423533 ESP Fit Center 5002 is at 0.828687 -0.637686 3.423533 ESP Fit Center 5003 is at 0.612567 -0.993080 3.423533 ESP Fit Center 5004 is at 0.500345 -1.393604 3.423533 ESP Fit Center 5005 is at 0.500345 -1.809552 3.423533 ESP Fit Center 5006 is at 3.484183 -2.013653 3.423533 ESP Fit Center 5007 is at 3.809445 -1.601578 3.096214 ESP Fit Center 5008 is at 3.761034 -1.187398 3.096214 ESP Fit Center 5009 is at 3.618412 -0.795546 3.096214 ESP Fit Center 5010 is at 3.389266 -0.447148 3.096214 ESP Fit Center 5011 is at 3.085952 -0.160986 3.096214 ESP Fit Center 5012 is at 1.115483 -0.046219 3.096214 ESP Fit Center 5013 is at 0.780998 -0.295234 3.096214 ESP Fit Center 5014 is at 0.512956 -0.614674 3.096214 ESP Fit Center 5015 is at 0.325806 -0.987319 3.096214 ESP Fit Center 5016 is at 0.229640 -1.393078 3.096214 ESP Fit Center 5017 is at 3.965442 -1.186674 2.722778 ESP Fit Center 5018 is at 3.836523 -0.789903 2.722778 ESP Fit Center 5019 is at 0.678167 -0.118573 2.722778 ESP Fit Center 5020 is at 0.399012 -0.428606 2.722778 ESP Fit Center 5021 is at 0.190417 -0.789903 2.722778 ESP Fit Center 5022 is at 0.061499 -1.186674 2.722778 ESP Fit Center 5023 is at 2.704508 3.844801 -0.983703 ESP Fit Center 5024 is at 2.889486 3.617738 -1.377974 ESP Fit Center 5025 is at 2.626176 3.578150 -1.753531 ESP Fit Center 5026 is at 3.196116 1.262223 3.678674 ESP Fit Center 5027 is at 2.791420 0.561270 3.678674 ESP Fit Center 5028 is at 3.087678 0.857528 3.678674 ESP Fit Center 5029 is at 3.581929 1.262223 3.541556 ESP Fit Center 5030 is at 3.509849 1.671006 3.541556 ESP Fit Center 5031 is at 2.594270 0.085177 3.541556 ESP Fit Center 5032 is at 2.984327 0.227146 3.541556 ESP Fit Center 5033 is at 3.302304 0.493961 3.541556 ESP Fit Center 5034 is at 3.509849 0.853439 3.541556 ESP Fit Center 5035 is at 3.945477 1.262223 3.353180 ESP Fit Center 5036 is at 3.887674 1.682769 3.353180 ESP Fit Center 5037 is at 3.718553 2.072125 3.353180 ESP Fit Center 5038 is at 3.450656 2.401415 3.353180 ESP Fit Center 5039 is at 3.450656 0.123031 3.353180 ESP Fit Center 5040 is at 3.718553 0.452320 3.353180 ESP Fit Center 5041 is at 3.887674 0.841677 3.353180 ESP Fit Center 5042 is at 4.279989 1.262223 3.117056 ESP Fit Center 5043 is at 4.235726 1.669219 3.117056 ESP Fit Center 5044 is at 4.105005 2.057184 3.117056 ESP Fit Center 5045 is at 3.893939 2.407977 3.117056 ESP Fit Center 5046 is at 3.612398 2.705197 3.117056 ESP Fit Center 5047 is at 3.273546 2.934944 3.117056 ESP Fit Center 5048 is at 4.105005 0.467262 3.117056 ESP Fit Center 5049 is at 4.235726 0.855227 3.117056 ESP Fit Center 5050 is at 4.579233 1.262223 2.837582 ESP Fit Center 5051 is at 4.539612 1.677158 2.837582 ESP Fit Center 5052 is at 4.422179 2.077096 2.837582 ESP Fit Center 5053 is at 4.231180 2.447582 2.837582 ESP Fit Center 5054 is at 3.973518 2.775226 2.837582 ESP Fit Center 5055 is at 3.658505 3.048187 2.837582 ESP Fit Center 5056 is at 3.297526 3.256598 2.837582 ESP Fit Center 5057 is at 2.903629 3.392927 2.837582 ESP Fit Center 5058 is at 4.422179 0.447350 2.837582 ESP Fit Center 5059 is at 4.539612 0.847288 2.837582 ESP Fit Center 5060 is at 4.837635 1.262223 2.519963 ESP Fit Center 5061 is at 4.802381 1.676429 2.519963 ESP Fit Center 5062 is at 4.697633 2.078718 2.519963 ESP Fit Center 5063 is at 4.526404 2.457519 2.519963 ESP Fit Center 5064 is at 3.671755 3.349244 2.519963 ESP Fit Center 5065 is at 3.300563 3.536395 2.519963 ESP Fit Center 5066 is at 2.903081 3.658122 2.519963 ESP Fit Center 5067 is at 2.490745 3.710924 2.519963 ESP Fit Center 5068 is at 4.802381 0.848017 2.519963 ESP Fit Center 5069 is at 5.050381 1.262223 2.170117 ESP Fit Center 5070 is at 5.017587 1.678910 2.170117 ESP Fit Center 5071 is at 4.920012 2.085338 2.170117 ESP Fit Center 5072 is at 2.803413 3.893084 2.170117 ESP Fit Center 5073 is at 2.386725 3.925878 2.170117 ESP Fit Center 5074 is at 1.970038 3.893084 2.170117 ESP Fit Center 5075 is at 5.017587 0.845535 2.170117 ESP Fit Center 5076 is at 5.213508 1.262223 1.794561 ESP Fit Center 5077 is at 5.183384 1.673806 1.794561 ESP Fit Center 5078 is at 2.695894 4.072048 1.794561 ESP Fit Center 5079 is at 2.283485 4.087120 1.794561 ESP Fit Center 5080 is at 1.873277 4.041984 1.794561 ESP Fit Center 5081 is at 5.183384 0.850640 1.794561 ESP Fit Center 5082 is at 5.323977 1.262223 1.400290 ESP Fit Center 5083 is at 2.489234 4.197686 1.400290 ESP Fit Center 5084 is at 2.079699 4.183384 1.400290 ESP Fit Center 5085 is at 5.295392 0.853436 1.400290 ESP Fit Center 5086 is at 5.379732 1.262223 0.994649 ESP Fit Center 5087 is at 2.073871 4.238833 0.994649 ESP Fit Center 5088 is at 5.350604 0.845677 0.994649 ESP Fit Center 5089 is at 2.073871 4.238833 0.585195 ESP Fit Center 5090 is at 5.350604 0.845677 0.585195 ESP Fit Center 5091 is at 5.210193 0.452606 0.179554 ESP Fit Center 5092 is at 5.295392 0.853436 0.179554 ESP Fit Center 5093 is at 5.093654 0.447829 -0.214717 ESP Fit Center 5094 is at 5.183384 0.850640 -0.214717 ESP Fit Center 5095 is at 4.760060 0.052948 -0.590273 ESP Fit Center 5096 is at 4.920012 0.439108 -0.590273 ESP Fit Center 5097 is at 5.017587 0.845535 -0.590273 ESP Fit Center 5098 is at 4.837635 1.262223 -0.940119 ESP Fit Center 5099 is at 4.684080 -0.011295 -0.902498 ESP Fit Center 5100 is at 4.779306 0.395640 -0.902498 ESP Fit Center 5101 is at 4.873670 0.812342 -1.316313 ESP Fit Center 5102 is at 4.842484 1.228493 -1.316313 ESP Fit Center 5103 is at 4.749622 1.635349 -1.316313 ESP Fit Center 5104 is at 4.749622 -0.010665 -1.316313 ESP Fit Center 5105 is at 4.842484 0.396190 -1.316313 ESP Fit Center 5106 is at 4.873670 0.812342 -1.734801 ESP Fit Center 5107 is at 4.842484 1.228493 -1.734801 ESP Fit Center 5108 is at 4.749622 1.635349 -1.734801 ESP Fit Center 5109 is at 4.597159 2.023819 -1.734801 ESP Fit Center 5110 is at 4.388499 2.385228 -1.734801 ESP Fit Center 5111 is at 4.128306 2.711500 -1.734801 ESP Fit Center 5112 is at 3.822390 2.995349 -1.734801 ESP Fit Center 5113 is at 3.477585 3.230433 -1.734801 ESP Fit Center 5114 is at 3.101594 3.411500 -1.734801 ESP Fit Center 5115 is at 4.597159 -0.399136 -1.734801 ESP Fit Center 5116 is at 4.749622 -0.010665 -1.734801 ESP Fit Center 5117 is at 4.842484 0.396190 -1.734801 ESP Fit Center 5118 is at 4.811298 0.812342 -2.148616 ESP Fit Center 5119 is at 4.779306 1.229044 -2.148616 ESP Fit Center 5120 is at 4.684080 1.635978 -2.148616 ESP Fit Center 5121 is at 4.527851 2.023607 -2.148616 ESP Fit Center 5122 is at 4.314282 2.382846 -2.148616 ESP Fit Center 5123 is at 4.048378 2.705273 -2.148616 ESP Fit Center 5124 is at 3.736373 2.983331 -2.148616 ESP Fit Center 5125 is at 3.385579 3.210503 -2.148616 ESP Fit Center 5126 is at 3.004218 3.381464 -2.148616 ESP Fit Center 5127 is at 2.601229 3.492207 -2.148616 ESP Fit Center 5128 is at 2.186059 3.540137 -2.148616 ESP Fit Center 5129 is at 4.314282 -0.758162 -2.148616 ESP Fit Center 5130 is at 4.527851 -0.398924 -2.148616 ESP Fit Center 5131 is at 4.684080 -0.011295 -2.148616 ESP Fit Center 5132 is at 4.779306 0.395640 -2.148616 ESP Fit Center 5133 is at 4.687946 0.812342 -2.548512 ESP Fit Center 5134 is at 4.655857 1.220080 -2.548512 ESP Fit Center 5135 is at 4.560378 1.617778 -2.548512 ESP Fit Center 5136 is at 4.403861 1.995644 -2.548512 ESP Fit Center 5137 is at 4.190159 2.344373 -2.548512 ESP Fit Center 5138 is at 3.924536 2.655378 -2.548512 ESP Fit Center 5139 is at 3.613531 2.921001 -2.548512 ESP Fit Center 5140 is at 3.264802 3.134703 -2.548512 ESP Fit Center 5141 is at 2.886936 3.291220 -2.548512 ESP Fit Center 5142 is at 2.489238 3.386699 -2.548512 ESP Fit Center 5143 is at 3.924536 -1.030694 -2.548512 ESP Fit Center 5144 is at 4.190159 -0.719689 -2.548512 ESP Fit Center 5145 is at 4.403861 -0.370960 -2.548512 ESP Fit Center 5146 is at 4.560378 0.006906 -2.548512 ESP Fit Center 5147 is at 4.655857 0.404604 -2.548512 ESP Fit Center 5148 is at 4.506371 0.812342 -2.925557 ESP Fit Center 5149 is at 4.471491 1.222147 -2.925557 ESP Fit Center 5150 is at 4.367856 1.620163 -2.925557 ESP Fit Center 5151 is at 4.198447 1.994939 -2.925557 ESP Fit Center 5152 is at 3.968136 2.335694 -2.925557 ESP Fit Center 5153 is at 3.683551 2.632625 -2.925557 ESP Fit Center 5154 is at 3.352877 2.877190 -2.925557 ESP Fit Center 5155 is at 2.985629 3.062353 -2.925557 ESP Fit Center 5156 is at 3.352877 -1.252507 -2.925557 ESP Fit Center 5157 is at 3.683551 -1.007942 -2.925557 ESP Fit Center 5158 is at 3.968136 -0.711011 -2.925557 ESP Fit Center 5159 is at 4.198447 -0.370256 -2.925557 ESP Fit Center 5160 is at 4.367856 0.004521 -2.925557 ESP Fit Center 5161 is at 4.471491 0.402537 -2.925557 ESP Fit Center 5162 is at 4.270628 0.812342 -3.271328 ESP Fit Center 5163 is at 4.231068 1.226637 -3.271328 ESP Fit Center 5164 is at 4.113816 1.625959 -3.271328 ESP Fit Center 5165 is at 3.923112 1.995874 -3.271328 ESP Fit Center 5166 is at 3.665846 2.323013 -3.271328 ESP Fit Center 5167 is at 3.351319 2.595553 -3.271328 ESP Fit Center 5168 is at 2.990897 2.803643 -3.271328 ESP Fit Center 5169 is at 0.986936 -1.083499 -3.271328 ESP Fit Center 5170 is at 1.365506 -1.256386 -3.271328 ESP Fit Center 5171 is at 1.769954 -1.354504 -3.271328 ESP Fit Center 5172 is at 2.185663 -1.374307 -3.271328 ESP Fit Center 5173 is at 2.597606 -1.315078 -3.271328 ESP Fit Center 5174 is at 2.990897 -1.178959 -3.271328 ESP Fit Center 5175 is at 3.351319 -0.970869 -3.271328 ESP Fit Center 5176 is at 3.665846 -0.698330 -3.271328 ESP Fit Center 5177 is at 3.923112 -0.371190 -3.271328 ESP Fit Center 5178 is at 4.113816 -0.001275 -3.271328 ESP Fit Center 5179 is at 4.231068 0.398047 -3.271328 ESP Fit Center 5180 is at 3.985984 0.812342 -3.578102 ESP Fit Center 5181 is at 3.941458 1.221750 -3.578102 ESP Fit Center 5182 is at 3.809962 1.612014 -3.578102 ESP Fit Center 5183 is at 3.597646 1.964886 -3.578102 ESP Fit Center 5184 is at 3.314436 2.263867 -3.578102 ESP Fit Center 5185 is at 1.376578 -0.956879 -3.578102 ESP Fit Center 5186 is at 1.773389 -1.067053 -3.578102 ESP Fit Center 5187 is at 2.184607 -1.089349 -3.578102 ESP Fit Center 5188 is at 2.591003 -1.022723 -3.578102 ESP Fit Center 5189 is at 2.973576 -0.870292 -3.578102 ESP Fit Center 5190 is at 3.314436 -0.639183 -3.578102 ESP Fit Center 5191 is at 3.597646 -0.340203 -3.578102 ESP Fit Center 5192 is at 3.809962 0.012670 -3.578102 ESP Fit Center 5193 is at 3.941458 0.402934 -3.578102 ESP Fit Center 5194 is at 3.658796 0.812342 -3.839026 ESP Fit Center 5195 is at 3.605051 1.220576 -3.839026 ESP Fit Center 5196 is at 3.447478 1.600990 -3.839026 ESP Fit Center 5197 is at 2.081500 -0.764954 -3.839026 ESP Fit Center 5198 is at 2.489734 -0.711209 -3.839026 ESP Fit Center 5199 is at 2.870148 -0.553637 -3.839026 ESP Fit Center 5200 is at 3.196817 -0.302975 -3.839026 ESP Fit Center 5201 is at 3.447478 0.023694 -3.839026 ESP Fit Center 5202 is at 3.605051 0.404108 -3.839026 ESP Fit Center 5203 is at 3.296374 0.812342 -4.048270 ESP Fit Center 5204 is at 2.292461 -0.384076 -4.048270 ESP Fit Center 5205 is at 2.688937 -0.239770 -4.048270 ESP Fit Center 5206 is at 3.012148 0.031436 -4.048270 ESP Fit Center 5207 is at 3.223108 0.396830 -4.048270 ESP Fit Center 5208 is at -3.151925 -1.817903 2.622947 ESP Fit Center 5209 is at -3.360585 -1.456495 2.591673 ESP Fit Center 5210 is at -3.569244 -1.817903 2.591673 ESP Fit Center 5211 is at -3.360585 -2.179311 2.591673 ESP Fit Center 5212 is at -2.943266 -2.179311 2.591673 ESP Fit Center 5213 is at -3.564583 -1.103160 2.498551 ESP Fit Center 5214 is at -3.866669 -1.405246 2.498551 ESP Fit Center 5215 is at -3.977240 -1.817903 2.498551 ESP Fit Center 5216 is at -3.866669 -2.230560 2.498551 ESP Fit Center 5217 is at -3.564583 -2.532646 2.498551 ESP Fit Center 5218 is at -3.151925 -2.643218 2.498551 ESP Fit Center 5219 is at -2.739268 -2.532646 2.498551 ESP Fit Center 5220 is at -4.082573 -1.036997 2.345660 ESP Fit Center 5221 is at -4.293534 -1.402392 2.345660 ESP Fit Center 5222 is at -4.366800 -1.817903 2.345660 ESP Fit Center 5223 is at -4.293534 -2.233415 2.345660 ESP Fit Center 5224 is at -4.082573 -2.598809 2.345660 ESP Fit Center 5225 is at -3.759363 -2.870015 2.345660 ESP Fit Center 5226 is at -3.362886 -3.014321 2.345660 ESP Fit Center 5227 is at -2.940965 -3.014321 2.345660 ESP Fit Center 5228 is at -2.544488 -2.870015 2.345660 ESP Fit Center 5229 is at -4.267242 -0.702586 2.136415 ESP Fit Center 5230 is at -4.517904 -1.029255 2.136415 ESP Fit Center 5231 is at -4.675477 -1.409669 2.136415 ESP Fit Center 5232 is at -4.729222 -1.817903 2.136415 ESP Fit Center 5233 is at -4.675477 -2.226137 2.136415 ESP Fit Center 5234 is at -4.517904 -2.606551 2.136415 ESP Fit Center 5235 is at -4.267242 -2.933220 2.136415 ESP Fit Center 5236 is at -3.940574 -3.183882 2.136415 ESP Fit Center 5237 is at -3.560160 -3.341454 2.136415 ESP Fit Center 5238 is at -3.151925 -3.395199 2.136415 ESP Fit Center 5239 is at -2.743691 -3.341454 2.136415 ESP Fit Center 5240 is at -2.363277 -3.183882 2.136415 ESP Fit Center 5241 is at -4.534572 -0.508191 1.875492 ESP Fit Center 5242 is at -4.783796 -0.836039 1.875492 ESP Fit Center 5243 is at -4.956715 -1.209799 1.875492 ESP Fit Center 5244 is at -5.045245 -1.611992 1.875492 ESP Fit Center 5245 is at -5.045245 -2.023814 1.875492 ESP Fit Center 5246 is at -4.956715 -2.426008 1.875492 ESP Fit Center 5247 is at -4.783796 -2.799767 1.875492 ESP Fit Center 5248 is at -4.534572 -3.127615 1.875492 ESP Fit Center 5249 is at -4.220697 -3.394223 1.875492 ESP Fit Center 5250 is at -3.856848 -3.587124 1.875492 ESP Fit Center 5251 is at -3.460037 -3.697298 1.875492 ESP Fit Center 5252 is at -3.048819 -3.719594 1.875492 ESP Fit Center 5253 is at -2.642422 -3.652968 1.875492 ESP Fit Center 5254 is at -2.259849 -3.500537 1.875492 ESP Fit Center 5255 is at -4.872696 -0.464674 1.568718 ESP Fit Center 5256 is at -5.097700 -0.814787 1.568718 ESP Fit Center 5257 is at -5.252379 -1.201154 1.568718 ESP Fit Center 5258 is at -5.331141 -1.609813 1.568718 ESP Fit Center 5259 is at -5.331141 -2.025993 1.568718 ESP Fit Center 5260 is at -5.252379 -2.434652 1.568718 ESP Fit Center 5261 is at -5.097700 -2.821020 1.568718 ESP Fit Center 5262 is at -4.872696 -3.171132 1.568718 ESP Fit Center 5263 is at -4.585500 -3.472336 1.568718 ESP Fit Center 5264 is at -4.246490 -3.713744 1.568718 ESP Fit Center 5265 is at -3.867919 -3.886631 1.568718 ESP Fit Center 5266 is at -3.463471 -3.984749 1.568718 ESP Fit Center 5267 is at -3.047763 -4.004552 1.568718 ESP Fit Center 5268 is at -2.635819 -3.945323 1.568718 ESP Fit Center 5269 is at -2.242529 -3.809204 1.568718 ESP Fit Center 5270 is at -5.160955 -0.460036 1.222947 ESP Fit Center 5271 is at -5.361537 -0.819096 1.222947 ESP Fit Center 5272 is at -5.498553 -1.206889 1.222947 ESP Fit Center 5273 is at -5.568061 -1.612260 1.222947 ESP Fit Center 5274 is at -5.568061 -2.023547 1.222947 ESP Fit Center 5275 is at -5.498553 -2.428917 1.222947 ESP Fit Center 5276 is at -5.361537 -2.816711 1.222947 ESP Fit Center 5277 is at -5.160955 -3.175770 1.222947 ESP Fit Center 5278 is at -4.902576 -3.495766 1.222947 ESP Fit Center 5279 is at -4.593834 -3.767493 1.222947 ESP Fit Center 5280 is at -4.243612 -3.983133 1.222947 ESP Fit Center 5281 is at -3.861983 -4.136484 1.222947 ESP Fit Center 5282 is at -3.459927 -4.223134 1.222947 ESP Fit Center 5283 is at -3.049011 -4.240589 1.222947 ESP Fit Center 5284 is at -2.641055 -4.188349 1.222947 ESP Fit Center 5285 is at -2.247797 -4.067914 1.222947 ESP Fit Center 5286 is at -5.260585 -0.285872 0.845902 ESP Fit Center 5287 is at -5.474286 -0.634601 0.845902 ESP Fit Center 5288 is at -5.630803 -1.012467 0.845902 ESP Fit Center 5289 is at -5.726282 -1.410165 0.845902 ESP Fit Center 5290 is at -5.758372 -1.817903 0.845902 ESP Fit Center 5291 is at -5.726282 -2.225641 0.845902 ESP Fit Center 5292 is at -5.630803 -2.623339 0.845902 ESP Fit Center 5293 is at -5.474286 -3.001205 0.845902 ESP Fit Center 5294 is at -5.260585 -3.349934 0.845902 ESP Fit Center 5295 is at -4.994961 -3.660939 0.845902 ESP Fit Center 5296 is at -4.683956 -3.926563 0.845902 ESP Fit Center 5297 is at -4.335227 -4.140264 0.845902 ESP Fit Center 5298 is at -3.957362 -4.296781 0.845902 ESP Fit Center 5299 is at -3.559664 -4.392260 0.845902 ESP Fit Center 5300 is at -3.151925 -4.424350 0.845902 ESP Fit Center 5301 is at -2.744187 -4.392260 0.845902 ESP Fit Center 5302 is at -2.346489 -4.296781 0.845902 ESP Fit Center 5303 is at -5.257935 -0.081090 0.446006 ESP Fit Center 5304 is at -5.498377 -0.422925 0.446006 ESP Fit Center 5305 is at -5.683820 -0.797458 0.446006 ESP Fit Center 5306 is at -5.809917 -1.195909 0.446006 ESP Fit Center 5307 is at -5.873714 -1.608939 0.446006 ESP Fit Center 5308 is at -5.873714 -2.026867 0.446006 ESP Fit Center 5309 is at -5.809917 -2.439897 0.446006 ESP Fit Center 5310 is at -5.683820 -2.838348 0.446006 ESP Fit Center 5311 is at -5.498377 -3.212881 0.446006 ESP Fit Center 5312 is at -5.257935 -3.554717 0.446006 ESP Fit Center 5313 is at -4.968130 -3.855843 0.446006 ESP Fit Center 5314 is at -4.635755 -4.109201 0.446006 ESP Fit Center 5315 is at -4.268600 -4.308854 0.446006 ESP Fit Center 5316 is at -3.875271 -4.450121 0.446006 ESP Fit Center 5317 is at -3.464988 -4.529690 0.446006 ESP Fit Center 5318 is at -3.047367 -4.545698 0.446006 ESP Fit Center 5319 is at -2.632196 -4.497769 0.446006 ESP Fit Center 5320 is at -5.458925 -0.245017 0.032191 ESP Fit Center 5321 is at -5.667584 -0.606426 0.032191 ESP Fit Center 5322 is at -5.820048 -0.994896 0.032191 ESP Fit Center 5323 is at -5.912910 -1.401752 0.032191 ESP Fit Center 5324 is at -5.944096 -1.817903 0.032191 ESP Fit Center 5325 is at -5.912910 -2.234055 0.032191 ESP Fit Center 5326 is at -5.820048 -2.640910 0.032191 ESP Fit Center 5327 is at -5.667584 -3.029381 0.032191 ESP Fit Center 5328 is at -5.458925 -3.390789 0.032191 ESP Fit Center 5329 is at -5.198731 -3.717061 0.032191 ESP Fit Center 5330 is at -4.892815 -4.000910 0.032191 ESP Fit Center 5331 is at -4.548011 -4.235994 0.032191 ESP Fit Center 5332 is at -4.172020 -4.417061 0.032191 ESP Fit Center 5333 is at -3.773242 -4.540068 0.032191 ESP Fit Center 5334 is at -3.360585 -4.602266 0.032191 ESP Fit Center 5335 is at -2.943266 -4.602266 0.032191 ESP Fit Center 5336 is at -2.530609 -4.540068 0.032191 ESP Fit Center 5337 is at -5.198731 0.081255 -0.386297 ESP Fit Center 5338 is at -5.458925 -0.245017 -0.386297 ESP Fit Center 5339 is at -5.667584 -0.606426 -0.386297 ESP Fit Center 5340 is at -5.820048 -0.994896 -0.386297 ESP Fit Center 5341 is at -5.912910 -1.401752 -0.386297 ESP Fit Center 5342 is at -5.944096 -1.817903 -0.386297 ESP Fit Center 5343 is at -5.912910 -2.234055 -0.386297 ESP Fit Center 5344 is at -5.820048 -2.640910 -0.386297 ESP Fit Center 5345 is at -5.667584 -3.029381 -0.386297 ESP Fit Center 5346 is at -5.458925 -3.390789 -0.386297 ESP Fit Center 5347 is at -5.198731 -3.717061 -0.386297 ESP Fit Center 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5455 is at -3.362886 -3.014321 -2.699766 ESP Fit Center 5456 is at -2.940965 -3.014321 -2.699766 ESP Fit Center 5457 is at -2.544488 -2.870015 -2.699766 ESP Fit Center 5458 is at -3.564583 -1.103160 -2.852657 ESP Fit Center 5459 is at -3.866669 -1.405246 -2.852657 ESP Fit Center 5460 is at -3.977240 -1.817903 -2.852657 ESP Fit Center 5461 is at -3.866669 -2.230560 -2.852657 ESP Fit Center 5462 is at -3.564583 -2.532646 -2.852657 ESP Fit Center 5463 is at -3.151925 -2.643218 -2.852657 ESP Fit Center 5464 is at -2.739268 -2.532646 -2.852657 ESP Fit Center 5465 is at -3.360585 -1.456495 -2.945779 ESP Fit Center 5466 is at -3.569244 -1.817903 -2.945779 ESP Fit Center 5467 is at -3.360585 -2.179311 -2.945779 ESP Fit Center 5468 is at -2.943266 -2.179311 -2.945779 ESP Fit Center 5469 is at -3.151925 -1.817903 -2.977053 ESP Fit Center 5470 is at -2.104267 -1.246549 2.854099 ESP Fit Center 5471 is at -1.695767 -1.246549 2.826157 ESP Fit Center 5472 is at -2.512767 -1.246549 2.826157 ESP Fit Center 5473 is at -2.308517 -1.600321 2.826157 ESP Fit Center 5474 is at -1.900017 -1.600321 2.826157 ESP Fit Center 5475 is at -1.294877 -1.246549 2.742851 ESP Fit Center 5476 is at -2.913657 -1.246549 2.742851 ESP Fit Center 5477 is at -2.805220 -1.651244 2.742851 ESP Fit Center 5478 is at -2.508962 -1.947502 2.742851 ESP Fit Center 5479 is at -2.104267 -2.055940 2.742851 ESP Fit Center 5480 is at -1.699572 -1.947502 2.742851 ESP Fit Center 5481 is at -1.403314 -1.651244 2.742851 ESP Fit Center 5482 is at -3.299470 -1.246549 2.605733 ESP Fit Center 5483 is at -2.701869 -2.281626 2.605733 ESP Fit Center 5484 is at -2.311812 -2.423595 2.605733 ESP Fit Center 5485 is at -1.896722 -2.423595 2.605733 ESP Fit Center 5486 is at -1.506665 -2.281626 2.605733 ESP Fit Center 5487 is at -2.210640 -2.801667 2.417357 ESP Fit Center 5488 is at -1.787130 -2.772698 2.417357 ESP Fit Center 5489 is at -2.001768 -3.137037 2.181233 ESP Fit Center 5490 is at -3.726524 -0.270470 -2.473035 ESP Fit Center 5491 is at -3.313408 -0.262840 -2.709159 ESP Fit Center 5492 is at -3.533972 -0.625541 -2.709159 ESP Fit Center 5493 is at -1.506665 -0.211473 -2.897535 ESP Fit Center 5494 is at -2.311812 -0.069504 -2.897535 ESP Fit Center 5495 is at -2.701869 -0.211473 -2.897535 ESP Fit Center 5496 is at -3.019846 -0.478287 -2.897535 ESP Fit Center 5497 is at -3.227391 -0.837766 -2.897535 ESP Fit Center 5498 is at -2.311812 -2.423595 -2.897535 ESP Fit Center 5499 is at -1.699572 -0.545597 -3.034653 ESP Fit Center 5500 is at -2.104267 -0.437159 -3.034653 ESP Fit Center 5501 is at -2.508962 -0.545597 -3.034653 ESP Fit Center 5502 is at -2.805220 -0.841854 -3.034653 ESP Fit Center 5503 is at -2.913657 -1.246549 -3.034653 ESP Fit Center 5504 is at -2.805220 -1.651244 -3.034653 ESP Fit Center 5505 is at -2.508962 -1.947502 -3.034653 ESP Fit Center 5506 is at -2.104267 -2.055940 -3.034653 ESP Fit Center 5507 is at -1.695767 -1.246549 -3.117959 ESP Fit Center 5508 is at -1.900017 -0.892778 -3.117959 ESP Fit Center 5509 is at -2.308517 -0.892778 -3.117959 ESP Fit Center 5510 is at -2.512767 -1.246549 -3.117959 ESP Fit Center 5511 is at -2.308517 -1.600321 -3.117959 ESP Fit Center 5512 is at -1.900017 -1.600321 -3.117959 ESP Fit Center 5513 is at -2.104267 -1.246549 -3.145901 ESP Fit Center 5514 is at -2.053588 0.121275 3.090541 ESP Fit Center 5515 is at -1.645088 0.121275 3.062599 ESP Fit Center 5516 is at -2.257838 0.475047 3.062599 ESP Fit Center 5517 is at -2.462088 0.121275 3.062599 ESP Fit Center 5518 is at -2.257838 -0.232496 3.062599 ESP Fit Center 5519 is at -1.849338 -0.232496 3.062599 ESP Fit Center 5520 is at -2.754540 0.525970 2.979293 ESP Fit Center 5521 is at -2.862978 0.121275 2.979293 ESP Fit Center 5522 is at -2.754540 -0.283420 2.979293 ESP Fit Center 5523 is at -2.458283 -0.579677 2.979293 ESP Fit Center 5524 is at -2.053588 -0.688115 2.979293 ESP Fit Center 5525 is at -1.648893 -0.579677 2.979293 ESP Fit Center 5526 is at -1.352635 -0.283420 2.979293 ESP Fit Center 5527 is at -3.176712 0.530059 2.842175 ESP Fit Center 5528 is at -3.248791 0.121275 2.842175 ESP Fit Center 5529 is at -3.176712 -0.287508 2.842175 ESP Fit Center 5530 is at -2.969167 -0.646987 2.842175 ESP Fit Center 5531 is at -2.651189 -0.913801 2.842175 ESP Fit Center 5532 is at -1.846043 -1.055770 2.842175 ESP Fit Center 5533 is at -1.455986 -0.913801 2.842175 ESP Fit Center 5534 is at -1.138009 -0.646987 2.842175 ESP Fit Center 5535 is at -3.483293 0.742284 2.653799 ESP Fit Center 5536 is at -3.597821 0.333525 2.653799 ESP Fit Center 5537 is at -3.597821 -0.090975 2.653799 ESP Fit Center 5538 is at -3.483293 -0.499733 2.653799 ESP Fit Center 5539 is at -3.262729 -0.862434 2.653799 ESP Fit Center 5540 is at -0.989657 -1.017917 2.653799 ESP Fit Center 5541 is at -0.721760 -0.688627 2.653799 ESP Fit Center 5542 is at -3.935753 -0.083423 2.417675 ESP Fit Center 5543 is at -3.847745 -0.483247 2.417675 ESP Fit Center 5544 is at -3.675845 -0.854804 2.417675 ESP Fit Center 5545 is at 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0.889537 -2.661093 ESP Fit Center 5564 is at -3.176712 0.530059 -2.661093 ESP Fit Center 5565 is at -3.248791 0.121275 -2.661093 ESP Fit Center 5566 is at -1.244198 0.121275 -2.798211 ESP Fit Center 5567 is at -2.053588 0.930666 -2.798211 ESP Fit Center 5568 is at -2.458283 0.822228 -2.798211 ESP Fit Center 5569 is at -2.754540 0.525970 -2.798211 ESP Fit Center 5570 is at -2.862978 0.121275 -2.798211 ESP Fit Center 5571 is at -1.645088 0.121275 -2.881517 ESP Fit Center 5572 is at -1.849338 0.475047 -2.881517 ESP Fit Center 5573 is at -2.257838 0.475047 -2.881517 ESP Fit Center 5574 is at -2.462088 0.121275 -2.881517 ESP Fit Center 5575 is at -2.053588 0.121275 -2.909459 ESP Fit Center 5576 is at -0.970189 0.112248 2.991237 ESP Fit Center 5577 is at -0.565494 0.220686 2.991237 ESP Fit Center 5578 is at -0.762644 -0.255407 2.854119 ESP Fit Center 5579 is at -0.372587 -0.113438 2.854119 ESP Fit Center 5580 is at -0.054610 0.153377 2.854119 ESP Fit Center 5581 is at -0.653051 -0.604510 2.665743 ESP Fit Center 5582 is at -0.765939 1.275410 -2.869573 ESP Fit Center 5583 is at -1.174439 1.275410 -2.869573 ESP Fit Center 5584 is at -1.378689 0.921639 -2.869573 ESP Fit Center 5585 is at -1.174439 0.567867 -2.869573 ESP Fit Center 5586 is at -0.970189 0.921639 -2.897515 ESP Fit Center 5587 is at -1.201688 2.561136 3.908293 ESP Fit Center 5588 is at -0.779810 2.561136 3.882774 ESP Fit Center 5589 is at -0.990749 2.926493 3.882774 ESP Fit Center 5590 is at -1.412628 2.926493 3.882774 ESP Fit Center 5591 is at -1.623567 2.561136 3.882774 ESP Fit Center 5592 is at -1.412628 2.195778 3.882774 ESP Fit Center 5593 is at -0.990749 2.195778 3.882774 ESP Fit Center 5594 is at -0.364084 2.561136 3.806590 ESP Fit Center 5595 is at -0.476301 2.979938 3.806590 ESP Fit Center 5596 is at -0.782886 3.286523 3.806590 ESP Fit Center 5597 is at -1.201688 3.398741 3.806590 ESP Fit Center 5598 is at -1.620491 3.286523 3.806590 ESP Fit Center 5599 is at -1.927075 2.979938 3.806590 ESP Fit Center 5600 is at -2.039293 2.561136 3.806590 ESP Fit Center 5601 is at -1.927075 2.142333 3.806590 ESP Fit Center 5602 is at -1.620491 1.835749 3.806590 ESP Fit Center 5603 is at -1.201688 1.723531 3.806590 ESP Fit Center 5604 is at -0.782886 1.835749 3.806590 ESP Fit Center 5605 is at -0.476301 2.142333 3.806590 ESP Fit Center 5606 is at 0.039429 2.561136 3.680850 ESP Fit Center 5607 is at -0.035420 2.985623 3.680850 ESP Fit Center 5608 is at -0.250938 3.358910 3.680850 ESP Fit Center 5609 is at -0.581130 3.635975 3.680850 ESP Fit Center 5610 is at -0.986171 3.783397 3.680850 ESP Fit Center 5611 is at -1.417206 3.783397 3.680850 ESP Fit Center 5612 is at -1.822247 3.635975 3.680850 ESP Fit Center 5613 is at -2.152439 3.358910 3.680850 ESP Fit Center 5614 is at -2.367957 2.985623 3.680850 ESP Fit Center 5615 is at -2.442806 2.561136 3.680850 ESP Fit Center 5616 is at -2.367957 2.136649 3.680850 ESP Fit Center 5617 is at -2.152439 1.763361 3.680850 ESP Fit Center 5618 is at -1.822247 1.486297 3.680850 ESP Fit Center 5619 is at -1.417206 1.338874 3.680850 ESP Fit Center 5620 is at -0.986171 1.338874 3.680850 ESP Fit Center 5621 is at -0.581130 1.486297 3.680850 ESP Fit Center 5622 is at -0.250938 1.763361 3.680850 ESP Fit Center 5623 is at -0.035420 2.136649 3.680850 ESP Fit Center 5624 is at 0.424843 2.561136 3.507389 ESP Fit Center 5625 is at 0.369420 2.982113 3.507389 ESP Fit Center 5626 is at 0.206929 3.374401 3.507389 ESP Fit Center 5627 is at -0.051557 3.711267 3.507389 ESP Fit Center 5628 is at -0.388423 3.969753 3.507389 ESP Fit Center 5629 is at -0.780711 4.132244 3.507389 ESP Fit Center 5630 is at -1.201688 4.187667 3.507389 ESP Fit Center 5631 is at -1.622666 4.132244 3.507389 ESP Fit Center 5632 is at -2.014954 3.969753 3.507389 ESP Fit Center 5633 is at -2.351820 3.711267 3.507389 ESP Fit Center 5634 is at -2.610306 3.374401 3.507389 ESP Fit Center 5635 is at -2.772797 2.982113 3.507389 ESP Fit Center 5636 is at -2.828220 2.561136 3.507389 ESP Fit Center 5637 is 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Fit Center 5656 is at -1.816084 4.452052 3.288737 ESP Fit Center 5657 is at -2.195802 4.282991 3.288737 ESP Fit Center 5658 is at -2.532072 4.038676 3.288737 ESP Fit Center 5659 is at -2.810198 3.729786 3.288737 ESP Fit Center 5660 is at -3.018024 3.369820 3.288737 ESP Fit Center 5661 is at -3.146468 2.974511 3.288737 ESP Fit Center 5662 is at -3.189915 2.561136 3.288737 ESP Fit Center 5663 is at -3.146468 2.147760 3.288737 ESP Fit Center 5664 is at -3.018024 1.752451 3.288737 ESP Fit Center 5665 is at -2.810198 1.392485 3.288737 ESP Fit Center 5666 is at -2.532072 1.083595 3.288737 ESP Fit Center 5667 is at -2.195802 0.839281 3.288737 ESP Fit Center 5668 is at -1.816084 0.670220 3.288737 ESP Fit Center 5669 is at -1.409515 0.583801 3.288737 ESP Fit Center 5670 is at -0.993862 0.583801 3.288737 ESP Fit Center 5671 is at -0.587293 0.670220 3.288737 ESP Fit Center 5672 is at -0.207575 0.839281 3.288737 ESP Fit Center 5673 is at 0.971247 3.376652 3.028081 ESP Fit Center 5674 is at 0.790711 3.751539 3.028081 ESP Fit Center 5675 is at 0.546137 4.088165 3.028081 ESP Fit Center 5676 is at 0.245387 4.375711 3.028081 ESP Fit Center 5677 is at -0.101873 4.604936 3.028081 ESP Fit Center 5678 is at -0.484482 4.768471 3.028081 ESP Fit Center 5679 is at -0.890143 4.861060 3.028081 ESP Fit Center 5680 is at -1.305817 4.879728 3.028081 ESP Fit Center 5681 is at -1.718144 4.823875 3.028081 ESP Fit Center 5682 is at -2.113872 4.695295 3.028081 ESP Fit Center 5683 is at -2.480281 4.498121 3.028081 ESP Fit Center 5684 is at -2.805596 4.238692 3.028081 ESP Fit Center 5685 is at -3.079360 3.925344 3.028081 ESP Fit Center 5686 is at -3.292773 3.568149 3.028081 ESP Fit Center 5687 is at -3.438978 3.178588 3.028081 ESP Fit Center 5688 is at -3.513274 2.769182 3.028081 ESP Fit Center 5689 is at -3.513274 2.353089 3.028081 ESP Fit Center 5690 is at -3.438978 1.943683 3.028081 ESP Fit Center 5691 is at -3.292773 1.554122 3.028081 ESP Fit Center 5692 is at -3.079360 1.196928 3.028081 ESP Fit Center 5693 is at -2.805596 0.883580 3.028081 ESP Fit Center 5694 is at -2.480281 0.624150 3.028081 ESP Fit Center 5695 is at -1.305817 0.242543 3.028081 ESP Fit Center 5696 is at -0.890143 0.261211 3.028081 ESP Fit Center 5697 is at -0.484482 0.353801 3.028081 ESP Fit Center 5698 is at -0.101873 0.517336 3.028081 ESP Fit Center 5699 is at 1.118018 3.778612 2.729223 ESP Fit Center 5700 is at 0.892682 4.134953 2.729223 ESP Fit Center 5701 is at 0.613102 4.450533 2.729223 ESP Fit Center 5702 is at 0.286521 4.717179 2.729223 ESP Fit Center 5703 is at -0.078605 4.927984 2.729223 ESP Fit Center 5704 is at -0.472818 5.077489 2.729223 ESP Fit Center 5705 is at -0.885908 5.161822 2.729223 ESP Fit Center 5706 is at -1.307177 5.178799 2.729223 ESP Fit Center 5707 is at -1.725713 5.127979 2.729223 ESP Fit Center 5708 is at -2.130678 5.010680 2.729223 ESP Fit Center 5709 is at -2.511582 4.829938 2.729223 ESP Fit Center 5710 is at -2.858561 4.590436 2.729223 ESP Fit Center 5711 is at -3.162628 4.298376 2.729223 ESP Fit Center 5712 is at -3.415907 3.961323 2.729223 ESP Fit Center 5713 is at -3.611839 3.588005 2.729223 ESP Fit Center 5714 is at -3.745350 3.188092 2.729223 ESP Fit Center 5715 is at -3.812981 2.771941 2.729223 ESP Fit Center 5716 is at -3.812981 2.350330 2.729223 ESP Fit Center 5717 is at -3.745350 1.934180 2.729223 ESP Fit Center 5718 is at -3.611839 1.534266 2.729223 ESP Fit Center 5719 is at -3.415907 1.160949 2.729223 ESP Fit Center 5720 is at 1.200595 4.150472 2.396520 ESP Fit Center 5721 is at 0.943586 4.483310 2.396520 ESP Fit Center 5722 is at 0.640854 4.775180 2.396520 ESP Fit Center 5723 is at 0.298851 5.019862 2.396520 ESP Fit Center 5724 is at -0.075133 5.212141 2.396520 ESP Fit Center 5725 is at -0.473128 5.347918 2.396520 ESP Fit Center 5726 is at -0.886651 5.424299 2.396520 ESP Fit Center 5727 is at -1.306888 5.439658 2.396520 ESP Fit Center 5728 is at -1.724883 5.393665 2.396520 ESP Fit Center 5729 is at -2.131727 5.287302 2.396520 ESP Fit Center 5730 is at -2.518749 5.122836 2.396520 ESP Fit Center 5731 is at -2.877700 4.903771 2.396520 ESP Fit Center 5732 is at -3.200930 4.634777 2.396520 ESP Fit Center 5733 is at -3.481549 4.321587 2.396520 ESP Fit Center 5734 is at -3.713578 3.970876 2.396520 ESP Fit Center 5735 is at -3.892069 3.590119 2.396520 ESP Fit Center 5736 is at -4.013220 3.187431 2.396520 ESP Fit Center 5737 is at -4.074448 2.771395 2.396520 ESP Fit Center 5738 is at -4.074448 2.350877 2.396520 ESP Fit Center 5739 is at -4.013220 1.934840 2.396520 ESP Fit Center 5740 is at -3.892069 1.532152 2.396520 ESP Fit Center 5741 is at 1.446239 4.171376 2.034824 ESP Fit Center 5742 is at 1.202315 4.516938 2.034824 ESP Fit Center 5743 is at 0.913609 4.826067 2.034824 ESP Fit Center 5744 is at 0.585499 5.093004 2.034824 ESP Fit Center 5745 is at 0.224097 5.312777 2.034824 ESP Fit Center 5746 is at -0.163864 5.481293 2.034824 ESP Fit Center 5747 is at -0.571159 5.595411 2.034824 ESP Fit Center 5748 is at -0.990199 5.653007 2.034824 ESP Fit Center 5749 is at -1.413178 5.653007 2.034824 ESP Fit Center 5750 is at -1.832218 5.595411 2.034824 ESP Fit Center 5751 is at -2.239513 5.481293 2.034824 ESP Fit Center 5752 is at -2.627474 5.312777 2.034824 ESP Fit Center 5753 is at -2.988876 5.093004 2.034824 ESP Fit Center 5754 is at -3.316986 4.826067 2.034824 ESP Fit Center 5755 is at -3.605692 4.516938 2.034824 ESP Fit Center 5756 is at -3.849616 4.171376 2.034824 ESP Fit Center 5757 is at -4.044214 3.795819 2.034824 ESP Fit Center 5758 is at -4.185862 3.397262 2.034824 ESP Fit Center 5759 is at -4.271919 2.983129 2.034824 ESP Fit Center 5760 is at -4.300785 2.561136 2.034824 ESP Fit Center 5761 is at -4.271919 2.139142 2.034824 ESP Fit Center 5762 is at -4.185862 1.725010 2.034824 ESP Fit Center 5763 is at 1.649752 4.167037 1.649410 ESP Fit Center 5764 is at 1.420983 4.518486 1.649410 ESP Fit Center 5765 is at 1.149151 4.837796 1.649410 ESP Fit Center 5766 is at 0.838717 5.119724 1.649410 ESP Fit Center 5767 is 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ESP Fit Center 5786 is at 1.792252 4.168848 1.245898 ESP Fit Center 5787 is at 1.571991 4.524582 1.245898 ESP Fit Center 5788 is at 1.309683 4.850553 1.245898 ESP Fit Center 5789 is at 1.009305 5.141819 1.245898 ESP Fit Center 5790 is at 0.675411 5.393964 1.245898 ESP Fit Center 5791 is at 0.313063 5.603166 1.245898 ESP Fit Center 5792 is at -0.072248 5.766254 1.245898 ESP Fit Center 5793 is at -0.474680 5.880756 1.245898 ESP Fit Center 5794 is at -0.888133 5.944936 1.245898 ESP Fit Center 5795 is at -1.306339 5.957820 1.245898 ESP Fit Center 5796 is at -1.722959 5.919215 1.245898 ESP Fit Center 5797 is at -2.131676 5.829704 1.245898 ESP Fit Center 5798 is at -2.526296 5.690646 1.245898 ESP Fit Center 5799 is at -2.900837 5.504147 1.245898 ESP Fit Center 5800 is at -3.249620 5.273035 1.245898 ESP Fit Center 5801 is at -3.567358 5.000813 1.245898 ESP Fit Center 5802 is at -3.849235 4.691609 1.245898 ESP Fit Center 5803 is at -4.090978 4.350108 1.245898 ESP Fit Center 5804 is at -4.288923 3.981489 1.245898 ESP Fit Center 5805 is at -4.440068 3.591338 1.245898 ESP Fit Center 5806 is at -4.542122 3.185571 1.245898 ESP Fit Center 5807 is at -4.593539 2.770338 1.245898 ESP Fit Center 5808 is at -4.593539 2.351934 1.245898 ESP Fit Center 5809 is at 1.657753 4.534866 0.830172 ESP Fit Center 5810 is at 1.398998 4.865143 0.830172 ESP Fit Center 5811 is at 1.102319 5.161822 0.830172 ESP Fit Center 5812 is at 0.772042 5.420578 0.830172 ESP Fit Center 5813 is at 0.412983 5.637636 0.830172 ESP Fit Center 5814 is at 0.030380 5.809832 0.830172 ESP Fit Center 5815 is at -0.370191 5.934655 0.830172 ESP Fit Center 5816 is at -0.782886 6.010284 0.830172 ESP Fit Center 5817 is at -1.201688 6.035617 0.830172 ESP Fit Center 5818 is at -1.620491 6.010284 0.830172 ESP Fit Center 5819 is at -2.033186 5.934655 0.830172 ESP Fit Center 5820 is at -2.433756 5.809832 0.830172 ESP Fit Center 5821 is at -2.816360 5.637636 0.830172 ESP Fit Center 5822 is at -3.175419 5.420578 0.830172 ESP Fit Center 5823 is at -3.505696 5.161822 0.830172 ESP Fit Center 5824 is at -3.802375 4.865143 0.830172 ESP Fit Center 5825 is at -4.061130 4.534866 0.830172 ESP Fit Center 5826 is at -4.278189 4.175808 0.830172 ESP Fit Center 5827 is at -4.450385 3.793204 0.830172 ESP Fit Center 5828 is at -4.575207 3.392633 0.830172 ESP Fit Center 5829 is at -4.650837 2.979938 0.830172 ESP Fit Center 5830 is at -4.676170 2.561136 0.830172 ESP Fit Center 5831 is at 1.701231 4.516399 0.408293 ESP Fit Center 5832 is at 1.449601 4.846013 0.408293 ESP Fit Center 5833 is at 1.160752 5.143552 0.408293 ESP Fit Center 5834 is at 0.838740 5.404840 0.408293 ESP Fit Center 5835 is at 0.488084 5.626208 0.408293 ESP Fit Center 5836 is at 0.113708 5.804549 0.408293 ESP Fit Center 5837 is at -0.279133 5.937360 0.408293 ESP Fit Center 5838 is at -0.684925 6.022776 0.408293 ESP Fit Center 5839 is at -1.097972 6.059599 0.408293 ESP Fit Center 5840 is at -1.512474 6.047310 0.408293 ESP Fit Center 5841 is at -1.922614 5.986083 0.408293 ESP Fit Center 5842 is at -2.322633 5.876778 0.408293 ESP Fit Center 5843 is at -2.706917 5.720928 0.408293 ESP Fit Center 5844 is at -3.070070 5.520722 0.408293 ESP Fit Center 5845 is at -3.406996 5.278969 0.408293 ESP Fit Center 5846 is at -3.712964 4.999064 0.408293 ESP Fit Center 5847 is at -3.983679 4.684936 0.408293 ESP Fit Center 5848 is at -4.215341 4.340995 0.408293 ESP Fit Center 5849 is at -4.404698 3.972068 0.408293 ESP Fit Center 5850 is at -4.549092 3.583334 0.408293 ESP Fit Center 5851 is at -4.646495 3.180252 0.408293 ESP Fit Center 5852 is at -4.695542 2.768478 0.408293 ESP Fit Center 5853 is at -4.695542 2.353794 0.408293 ESP Fit Center 5854 is at 1.657753 4.534866 -0.013585 ESP Fit Center 5855 is at 1.398998 4.865143 -0.013585 ESP Fit Center 5856 is at 1.102319 5.161822 -0.013585 ESP Fit Center 5857 is at 0.772042 5.420578 -0.013585 ESP Fit Center 5858 is at 0.412983 5.637636 -0.013585 ESP Fit Center 5859 is at 0.030380 5.809832 -0.013585 ESP Fit Center 5860 is at -0.370191 5.934655 -0.013585 ESP Fit Center 5861 is at -0.782886 6.010284 -0.013585 ESP Fit Center 5862 is at -1.201688 6.035617 -0.013585 ESP Fit Center 5863 is at -1.620491 6.010284 -0.013585 ESP Fit Center 5864 is at -2.033186 5.934655 -0.013585 ESP Fit Center 5865 is at -2.433756 5.809832 -0.013585 ESP Fit Center 5866 is at -2.816360 5.637636 -0.013585 ESP Fit Center 5867 is at -3.175419 5.420578 -0.013585 ESP Fit Center 5868 is at -3.505696 5.161822 -0.013585 ESP Fit Center 5869 is at -3.802375 4.865143 -0.013585 ESP Fit Center 5870 is at -4.061130 4.534866 -0.013585 ESP Fit Center 5871 is at -4.278189 4.175808 -0.013585 ESP Fit Center 5872 is at -4.450385 3.793204 -0.013585 ESP Fit Center 5873 is at -4.575207 3.392633 -0.013585 ESP Fit Center 5874 is at -4.650837 2.979938 -0.013585 ESP Fit Center 5875 is at -4.676170 2.561136 -0.013585 ESP Fit Center 5876 is at 1.571991 4.524582 -0.429312 ESP Fit Center 5877 is at 1.309683 4.850553 -0.429312 ESP Fit Center 5878 is at 1.009305 5.141819 -0.429312 ESP Fit Center 5879 is at 0.675411 5.393964 -0.429312 ESP Fit Center 5880 is at 0.313063 5.603166 -0.429312 ESP Fit Center 5881 is at -0.072248 5.766254 -0.429312 ESP Fit Center 5882 is at -0.474680 5.880756 -0.429312 ESP Fit Center 5883 is at -0.888133 5.944936 -0.429312 ESP Fit Center 5884 is at -1.306339 5.957820 -0.429312 ESP Fit Center 5885 is at -1.722959 5.919215 -0.429312 ESP Fit Center 5886 is at -2.131676 5.829704 -0.429312 ESP Fit Center 5887 is at -2.526296 5.690646 -0.429312 ESP Fit Center 5888 is at -2.900837 5.504147 -0.429312 ESP Fit Center 5889 is at -3.249620 5.273035 -0.429312 ESP Fit Center 5890 is at -3.567358 5.000813 -0.429312 ESP Fit Center 5891 is at -3.849235 4.691609 -0.429312 ESP Fit Center 5892 is at -4.090978 4.350108 -0.429312 ESP Fit Center 5893 is at -4.288923 3.981489 -0.429312 ESP Fit Center 5894 is at -4.440068 3.591338 -0.429312 ESP Fit Center 5895 is at -4.542122 3.185571 -0.429312 ESP Fit Center 5896 is at -4.593539 2.770338 -0.429312 ESP Fit Center 5897 is at -4.593539 2.351934 -0.429312 ESP Fit Center 5898 is at 1.149151 4.837796 -0.832824 ESP Fit Center 5899 is at 0.838717 5.119724 -0.832824 ESP Fit Center 5900 is at 0.494781 5.359639 -0.832824 ESP Fit Center 5901 is at 0.122988 5.553603 -0.832824 ESP Fit Center 5902 is at -0.270556 5.698431 -0.832824 ESP Fit Center 5903 is at -0.679389 5.791744 -0.832824 ESP Fit Center 5904 is at -1.096798 5.832011 -0.832824 ESP Fit Center 5905 is at -1.515929 5.818570 -0.832824 ESP Fit Center 5906 is at -1.929901 5.751643 -0.832824 ESP Fit Center 5907 is at -2.331915 5.632327 -0.832824 ESP Fit Center 5908 is at -2.715371 5.462582 -0.832824 ESP Fit Center 5909 is at -3.073973 5.245196 -0.832824 ESP Fit Center 5910 is at -3.401831 4.983738 -0.832824 ESP Fit Center 5911 is at -3.693564 4.682500 -0.832824 ESP Fit Center 5912 is at -3.944379 4.346430 -0.832824 ESP Fit Center 5913 is at -4.150160 3.981045 -0.832824 ESP Fit Center 5914 is at -4.307527 3.592345 -0.832824 ESP Fit Center 5915 is at -4.413897 3.186713 -0.832824 ESP Fit Center 5916 is at -4.467521 2.770809 -0.832824 ESP Fit Center 5917 is at -4.467521 2.351462 -0.832824 ESP Fit Center 5918 is at 1.202315 4.516938 -1.218238 ESP Fit Center 5919 is at 0.913609 4.826067 -1.218238 ESP Fit Center 5920 is at 0.585499 5.093004 -1.218238 ESP Fit Center 5921 is at 0.224097 5.312777 -1.218238 ESP Fit Center 5922 is at -0.163864 5.481293 -1.218238 ESP Fit Center 5923 is at -0.571159 5.595411 -1.218238 ESP Fit Center 5924 is at -0.990199 5.653007 -1.218238 ESP Fit Center 5925 is at -1.413178 5.653007 -1.218238 ESP Fit Center 5926 is at -1.832218 5.595411 -1.218238 ESP Fit Center 5927 is at -2.239513 5.481293 -1.218238 ESP Fit Center 5928 is at -2.627474 5.312777 -1.218238 ESP Fit Center 5929 is at -2.988876 5.093004 -1.218238 ESP Fit Center 5930 is at -3.316986 4.826067 -1.218238 ESP Fit Center 5931 is at -3.605692 4.516938 -1.218238 ESP Fit Center 5932 is at -3.849616 4.171376 -1.218238 ESP Fit Center 5933 is at -4.044214 3.795819 -1.218238 ESP Fit Center 5934 is at -4.185862 3.397262 -1.218238 ESP Fit Center 5935 is at -4.271919 2.983129 -1.218238 ESP Fit Center 5936 is at -4.300785 2.561136 -1.218238 ESP Fit Center 5937 is at -4.271919 2.139142 -1.218238 ESP Fit Center 5938 is at 0.943586 4.483310 -1.579933 ESP Fit Center 5939 is at 0.640854 4.775180 -1.579933 ESP Fit Center 5940 is at 0.298851 5.019862 -1.579933 ESP Fit Center 5941 is at -0.075133 5.212141 -1.579933 ESP Fit Center 5942 is at -0.473128 5.347918 -1.579933 ESP Fit Center 5943 is at -0.886651 5.424299 -1.579933 ESP Fit Center 5944 is at -1.306888 5.439658 -1.579933 ESP Fit Center 5945 is at -1.724883 5.393665 -1.579933 ESP Fit Center 5946 is at -2.131727 5.287302 -1.579933 ESP Fit Center 5947 is at -2.518749 5.122836 -1.579933 ESP Fit Center 5948 is at -2.877700 4.903771 -1.579933 ESP Fit Center 5949 is at -3.200930 4.634777 -1.579933 ESP Fit Center 5950 is at -3.481549 4.321587 -1.579933 ESP Fit Center 5951 is at -3.713578 3.970876 -1.579933 ESP Fit Center 5952 is at -3.892069 3.590119 -1.579933 ESP Fit Center 5953 is at -4.013220 3.187431 -1.579933 ESP Fit Center 5954 is at -4.074448 2.771395 -1.579933 ESP Fit Center 5955 is at -4.074448 2.350877 -1.579933 ESP Fit Center 5956 is at -4.013220 1.934840 -1.579933 ESP Fit Center 5957 is at 0.892682 4.134953 -1.912636 ESP Fit Center 5958 is at 0.613102 4.450533 -1.912636 ESP Fit Center 5959 is at 0.286521 4.717179 -1.912636 ESP Fit Center 5960 is at -0.078605 4.927984 -1.912636 ESP Fit Center 5961 is at -0.472818 5.077489 -1.912636 ESP Fit Center 5962 is at -0.885908 5.161822 -1.912636 ESP Fit Center 5963 is at -1.307177 5.178799 -1.912636 ESP Fit Center 5964 is at -1.725713 5.127979 -1.912636 ESP Fit Center 5965 is at -2.130678 5.010680 -1.912636 ESP Fit Center 5966 is at -2.511582 4.829938 -1.912636 ESP Fit Center 5967 is at -2.858561 4.590436 -1.912636 ESP Fit Center 5968 is at -3.162628 4.298376 -1.912636 ESP Fit Center 5969 is at -3.415907 3.961323 -1.912636 ESP Fit Center 5970 is at -3.611839 3.588005 -1.912636 ESP Fit Center 5971 is at -3.745350 3.188092 -1.912636 ESP Fit Center 5972 is at -3.812981 2.771941 -1.912636 ESP Fit Center 5973 is at -3.812981 2.350330 -1.912636 ESP Fit Center 5974 is at -3.745350 1.934180 -1.912636 ESP Fit Center 5975 is at 0.546137 4.088165 -2.211494 ESP Fit Center 5976 is at 0.245387 4.375711 -2.211494 ESP Fit Center 5977 is at -0.101873 4.604936 -2.211494 ESP Fit Center 5978 is at -0.484482 4.768471 -2.211494 ESP Fit Center 5979 is at -0.890143 4.861060 -2.211494 ESP Fit Center 5980 is at -1.305817 4.879728 -2.211494 ESP Fit Center 5981 is at -1.718144 4.823875 -2.211494 ESP Fit Center 5982 is at -2.113872 4.695295 -2.211494 ESP Fit Center 5983 is at -2.480281 4.498121 -2.211494 ESP Fit Center 5984 is at -2.805596 4.238692 -2.211494 ESP Fit Center 5985 is at -3.079360 3.925344 -2.211494 ESP Fit Center 5986 is at -3.292773 3.568149 -2.211494 ESP Fit Center 5987 is at -3.438978 3.178588 -2.211494 ESP Fit Center 5988 is at -3.513274 2.769182 -2.211494 ESP Fit Center 5989 is at -3.513274 2.353089 -2.211494 ESP Fit Center 5990 is at -3.438978 1.943683 -2.211494 ESP Fit Center 5991 is at 0.406821 3.729786 -2.472150 ESP Fit Center 5992 is at 0.128695 4.038676 -2.472150 ESP Fit Center 5993 is at -0.207575 4.282991 -2.472150 ESP Fit Center 5994 is at -0.587293 4.452052 -2.472150 ESP Fit Center 5995 is at -0.993862 4.538471 -2.472150 ESP Fit Center 5996 is at -1.409515 4.538471 -2.472150 ESP Fit Center 5997 is at -1.816084 4.452052 -2.472150 ESP Fit Center 5998 is at -2.195802 4.282991 -2.472150 ESP Fit Center 5999 is at -2.532072 4.038676 -2.472150 ESP Fit Center 6000 is at -2.810198 3.729786 -2.472150 ESP Fit Center 6001 is at -3.018024 3.369820 -2.472150 ESP Fit Center 6002 is at -3.146468 2.974511 -2.472150 ESP Fit Center 6003 is at -3.189915 2.561136 -2.472150 ESP Fit Center 6004 is at -3.146468 2.147760 -2.472150 ESP Fit Center 6005 is at -3.018024 1.752451 -2.472150 ESP Fit Center 6006 is at 0.206929 3.374401 -2.690803 ESP Fit Center 6007 is at -0.051557 3.711267 -2.690803 ESP Fit Center 6008 is at -0.388423 3.969753 -2.690803 ESP Fit Center 6009 is at -0.780711 4.132244 -2.690803 ESP Fit Center 6010 is at -1.201688 4.187667 -2.690803 ESP Fit Center 6011 is at -1.622666 4.132244 -2.690803 ESP Fit Center 6012 is at -2.014954 3.969753 -2.690803 ESP Fit Center 6013 is at -2.351820 3.711267 -2.690803 ESP Fit Center 6014 is at -2.610306 3.374401 -2.690803 ESP Fit Center 6015 is at -2.772797 2.982113 -2.690803 ESP Fit Center 6016 is at -2.828220 2.561136 -2.690803 ESP Fit Center 6017 is at -2.772797 2.140159 -2.690803 ESP Fit Center 6018 is at -2.610306 1.747870 -2.690803 ESP Fit Center 6019 is at -2.351820 1.411005 -2.690803 ESP Fit Center 6020 is at -0.035420 2.985623 -2.864264 ESP Fit Center 6021 is at -0.250938 3.358910 -2.864264 ESP Fit Center 6022 is at -0.581130 3.635975 -2.864264 ESP Fit Center 6023 is at -0.986171 3.783397 -2.864264 ESP Fit Center 6024 is at -1.417206 3.783397 -2.864264 ESP Fit Center 6025 is at -1.822247 3.635975 -2.864264 ESP Fit Center 6026 is at -2.152439 3.358910 -2.864264 ESP Fit Center 6027 is at -2.367957 2.985623 -2.864264 ESP Fit Center 6028 is at -2.442806 2.561136 -2.864264 ESP Fit Center 6029 is at -2.367957 2.136649 -2.864264 ESP Fit Center 6030 is at -2.152439 1.763361 -2.864264 ESP Fit Center 6031 is at -1.822247 1.486297 -2.864264 ESP Fit Center 6032 is at -1.417206 1.338874 -2.864264 ESP Fit Center 6033 is at -0.364084 2.561136 -2.990003 ESP Fit Center 6034 is at -0.476301 2.979938 -2.990003 ESP Fit Center 6035 is at -0.782886 3.286523 -2.990003 ESP Fit Center 6036 is at -1.201688 3.398741 -2.990003 ESP Fit Center 6037 is at -1.620491 3.286523 -2.990003 ESP Fit Center 6038 is at -1.927075 2.979938 -2.990003 ESP Fit Center 6039 is at -2.039293 2.561136 -2.990003 ESP Fit Center 6040 is at -1.927075 2.142333 -2.990003 ESP Fit Center 6041 is at -1.620491 1.835749 -2.990003 ESP Fit Center 6042 is at -1.201688 1.723531 -2.990003 ESP Fit Center 6043 is at -0.782886 1.835749 -2.990003 ESP Fit Center 6044 is at -0.476301 2.142333 -2.990003 ESP Fit Center 6045 is at -0.779810 2.561136 -3.066188 ESP Fit Center 6046 is at -0.990749 2.926493 -3.066188 ESP Fit Center 6047 is at -1.412628 2.926493 -3.066188 ESP Fit Center 6048 is at -1.623567 2.561136 -3.066188 ESP Fit Center 6049 is at -1.412628 2.195778 -3.066188 ESP Fit Center 6050 is at -0.990749 2.195778 -3.066188 ESP Fit Center 6051 is at -1.201688 2.561136 -3.091707 ESP Fit Center 6052 is at 0.029862 -0.033190 2.842886 ESP Fit Center 6053 is at 0.438362 -0.033190 2.842886 ESP Fit Center 6054 is at -0.170584 -0.380371 2.759580 ESP Fit Center 6055 is at -0.961092 0.320582 -2.880805 ESP Fit Center 6056 is at -0.889012 -0.088202 -2.880805 ESP Fit Center 6057 is at -0.575279 0.320582 -3.017923 ESP Fit Center 6058 is at -0.466841 -0.084114 -3.017923 ESP Fit Center 6059 is at -0.384702 -0.673301 2.636445 ESP Fit Center 6060 is at -0.493140 -1.077996 2.636445 ESP Fit Center 6061 is at -0.599329 -0.309735 -3.003941 ESP Fit Center 6062 is at -0.384702 -0.673301 -3.141059 ESP Fit Center 6063 is at 0.316250 -1.887387 -3.141059 ESP Fit Center 6064 is at 0.720945 -1.778949 -3.141059 ESP Fit Center 6065 is at 0.724750 -1.077996 -3.224365 ESP Fit Center 6066 is at 0.112000 -0.724225 -3.224365 ESP Fit Center 6067 is at -0.092250 -1.077996 -3.224365 ESP Fit Center 6068 is at 0.112000 -1.431768 -3.224365 ESP Fit Center 6069 is at 0.520500 -1.431768 -3.224365 ESP Fit Center 6070 is at 0.316250 -1.077996 -3.252307 ESP Fit Center 6071 is at -0.789604 -1.827446 2.702940 ESP Fit Center 6072 is at -0.585354 -1.473675 2.674998 ESP Fit Center 6073 is at -0.993854 -1.473675 2.674998 ESP Fit Center 6074 is at -1.198104 -1.827446 2.674998 ESP Fit Center 6075 is at -0.993854 -2.181218 2.674998 ESP Fit Center 6076 is at -0.585354 -2.181218 2.674998 ESP Fit Center 6077 is at -0.789604 -1.018056 2.591692 ESP Fit Center 6078 is at -1.194299 -2.528399 2.591692 ESP Fit Center 6079 is at -0.789604 -2.636837 2.591692 ESP Fit Center 6080 is at -1.387205 -2.862523 2.454574 ESP Fit Center 6081 is at -0.997149 -3.004492 2.454574 ESP Fit Center 6082 is at -1.688505 -3.100900 2.266198 ESP Fit Center 6083 is at -1.311598 -3.296197 2.266198 ESP Fit Center 6084 is at -1.852079 -3.394480 2.030074 ESP Fit Center 6085 is at -1.490373 -3.586245 2.030074 ESP Fit Center 6086 is at -1.095900 -3.695769 2.030074 ESP Fit Center 6087 is at -1.885858 -3.726214 1.750599 ESP Fit Center 6088 is at -1.506703 -3.899368 1.750599 ESP Fit Center 6089 is at -1.101630 -3.997638 1.750599 ESP Fit Center 6090 is at -1.893012 -4.015927 1.432981 ESP Fit Center 6091 is at -2.246996 -3.797971 -2.027101 ESP Fit Center 6092 is at -2.225391 -3.484433 -2.344719 ESP Fit Center 6093 is at -1.885858 -3.726214 -2.344719 ESP Fit Center 6094 is at -2.164105 -3.129443 -2.624194 ESP Fit Center 6095 is at -1.852079 -3.394480 -2.624194 ESP Fit Center 6096 is at -1.490373 -3.586245 -2.624194 ESP Fit Center 6097 is at -1.998745 -2.811156 -2.860318 ESP Fit Center 6098 is at -1.688505 -3.100900 -2.860318 ESP Fit Center 6099 is at -1.311598 -3.296197 -2.860318 ESP Fit Center 6100 is at -0.895977 -3.382565 -2.860318 ESP Fit Center 6101 is at -0.472466 -3.353596 -2.860318 ESP Fit Center 6102 is at -0.072477 -3.211439 -2.860318 ESP Fit Center 6103 is at -0.997149 -0.650401 -3.048694 ESP Fit Center 6104 is at -1.387205 -0.792370 -3.048694 ESP Fit Center 6105 is at -1.912727 -2.236230 -3.048694 ESP Fit Center 6106 is at -1.705183 -2.595708 -3.048694 ESP Fit Center 6107 is at -1.387205 -2.862523 -3.048694 ESP Fit Center 6108 is at -0.997149 -3.004492 -3.048694 ESP Fit Center 6109 is at -0.582059 -3.004492 -3.048694 ESP Fit Center 6110 is at -0.192002 -2.862523 -3.048694 ESP Fit Center 6111 is at 0.125975 -2.595708 -3.048694 ESP Fit Center 6112 is at 0.333520 -2.236230 -3.048694 ESP Fit Center 6113 is at 0.019787 -1.827446 -3.185812 ESP Fit Center 6114 is at -0.384909 -1.126494 -3.185812 ESP Fit Center 6115 is at -0.789604 -1.018056 -3.185812 ESP Fit Center 6116 is at -1.194299 -1.126494 -3.185812 ESP Fit Center 6117 is at -1.490556 -1.422751 -3.185812 ESP Fit Center 6118 is at -1.598994 -1.827446 -3.185812 ESP Fit Center 6119 is at -1.490556 -2.232142 -3.185812 ESP Fit Center 6120 is at -1.194299 -2.528399 -3.185812 ESP Fit Center 6121 is at -0.789604 -2.636837 -3.185812 ESP Fit Center 6122 is at -0.384909 -2.528399 -3.185812 ESP Fit Center 6123 is at -0.088651 -2.232142 -3.185812 ESP Fit Center 6124 is at -0.381104 -1.827446 -3.269118 ESP Fit Center 6125 is at -0.585354 -1.473675 -3.269118 ESP Fit Center 6126 is at -0.993854 -1.473675 -3.269118 ESP Fit Center 6127 is at -1.198104 -1.827446 -3.269118 ESP Fit Center 6128 is at -0.993854 -2.181218 -3.269118 ESP Fit Center 6129 is at -0.585354 -2.181218 -3.269118 ESP Fit Center 6130 is at -0.789604 -1.827446 -3.297060 ESP Fit Center 6131 is at 1.930956 4.232169 0.315663 ESP Fit Center 6132 is at 2.114093 4.262032 -0.088430 ESP Fit Center 6133 is at 1.724460 4.428569 -0.088430 ESP Fit Center 6134 is at 2.194086 4.259171 -0.505185 ESP Fit Center 6135 is at 1.814934 4.435973 -0.505185 ESP Fit Center 6136 is at 2.467728 4.028599 -0.921941 ESP Fit Center 6137 is at 2.114093 4.262032 -0.921941 ESP Fit Center 6138 is at 1.724460 4.428569 -0.921941 ESP Fit Center 6139 is at 2.302266 4.017793 -1.326034 ESP Fit Center 6140 is at 1.930956 4.232169 -1.326034 ESP Fit Center 6141 is at 1.525784 4.372400 -1.326034 ESP Fit Center 6142 is at 2.093517 3.944584 -1.705185 ESP Fit Center 6143 is at 1.715946 4.129792 -1.705185 ESP Fit Center 6144 is at 1.308823 4.235203 -1.705185 ESP Fit Center 6145 is at 2.091966 3.655419 -2.047876 ESP Fit Center 6146 is at 1.722281 3.868857 -2.047876 ESP Fit Center 6147 is at 1.313339 3.991286 -2.047876 ESP Fit Center 6148 is at 0.887186 4.016107 -2.047876 ESP Fit Center 6149 is at 1.703824 3.550442 -2.343692 ESP Fit Center 6150 is at 1.307956 3.691134 -2.343692 ESP Fit Center 6151 is at 0.888809 3.719804 -2.343692 ESP Fit Center 6152 is at 0.785708 3.362480 -2.583646 ESP Fit Center 6153 is at 4.444725 2.825648 2.414535 ESP Fit Center 6154 is at 4.179589 3.151544 2.414535 ESP Fit Center 6155 is at 3.836359 3.393823 2.414535 ESP Fit Center 6156 is at 4.915570 2.448079 2.118719 ESP Fit Center 6157 is at 4.769570 2.849211 2.118719 ESP Fit Center 6158 is at 4.534998 3.205860 2.118719 ESP Fit Center 6159 is at 4.224501 3.498799 2.118719 ESP Fit Center 6160 is at 3.854816 3.712237 2.118719 ESP Fit Center 6161 is at 3.445874 3.834666 2.118719 ESP Fit Center 6162 is at 5.205082 2.024091 1.776029 ESP Fit Center 6163 is at 5.162535 2.442482 1.776029 ESP Fit Center 6164 is at 5.036639 2.843744 1.776029 ESP Fit Center 6165 is at 4.832545 3.211449 1.776029 ESP Fit Center 6166 is at 4.558612 3.530544 1.776029 ESP Fit Center 6167 is at 4.226052 3.787965 1.776029 ESP Fit Center 6168 is at 3.848481 3.973172 1.776029 ESP Fit Center 6169 is at 3.441357 4.078583 1.776029 ESP Fit Center 6170 is at 3.021348 4.099884 1.776029 ESP Fit Center 6171 is at 5.381883 2.024091 1.396877 ESP Fit Center 6172 is at 5.341127 2.450902 1.396877 ESP Fit Center 6173 is at 5.220334 2.862287 1.396877 ESP Fit Center 6174 is at 5.023868 3.243377 1.396877 ESP Fit Center 6175 is at 4.758831 3.580400 1.396877 ESP Fit Center 6176 is at 4.434801 3.861173 1.396877 ESP Fit Center 6177 is at 4.063490 4.075549 1.396877 ESP Fit Center 6178 is at 3.658319 4.215781 1.396877 ESP Fit Center 6179 is at 3.233930 4.276798 1.396877 ESP Fit Center 6180 is at 2.805663 4.256398 1.396877 ESP Fit Center 6181 is at 5.341127 1.597279 1.396877 ESP Fit Center 6182 is at 5.490159 2.024091 0.992784 ESP Fit Center 6183 is at 5.452176 2.446117 0.992784 ESP Fit Center 6184 is at 5.339448 2.854579 0.992784 ESP Fit Center 6185 is at 5.155598 3.236348 0.992784 ESP Fit Center 6186 is at 4.906534 3.579154 0.992784 ESP Fit Center 6187 is at 4.600263 3.871980 0.992784 ESP Fit Center 6188 is at 4.246628 4.105412 0.992784 ESP Fit Center 6189 is at 3.856994 4.271949 0.992784 ESP Fit Center 6190 is at 3.443886 4.366239 0.992784 ESP Fit Center 6191 is at 3.020581 4.385249 0.992784 ESP Fit Center 6192 is at 2.600684 4.328370 0.992784 ESP Fit Center 6193 is at 5.452176 1.602065 0.992784 ESP Fit Center 6194 is at 5.526621 2.024091 0.576029 ESP Fit Center 6195 is at 5.490159 2.440846 0.576029 ESP Fit Center 6196 is at 5.381883 2.844939 0.576029 ESP Fit Center 6197 is at 5.205082 3.224091 0.576029 ESP Fit Center 6198 is at 4.965127 3.566781 0.576029 ESP Fit Center 6199 is at 4.669311 3.862597 0.576029 ESP Fit Center 6200 is at 4.326621 4.102552 0.576029 ESP Fit Center 6201 is at 3.947469 4.279353 0.576029 ESP Fit Center 6202 is at 3.543376 4.387629 0.576029 ESP Fit Center 6203 is at 3.126621 4.424091 0.576029 ESP Fit Center 6204 is at 2.709865 4.387629 0.576029 ESP Fit Center 6205 is at 2.305772 4.279353 0.576029 ESP Fit Center 6206 is at 5.381883 1.203242 0.576029 ESP Fit Center 6207 is at 5.490159 1.607335 0.576029 ESP Fit Center 6208 is at 5.490159 2.024091 0.159273 ESP Fit Center 6209 is at 5.452176 2.446117 0.159273 ESP Fit Center 6210 is at 5.339448 2.854579 0.159273 ESP Fit Center 6211 is at 5.155598 3.236348 0.159273 ESP Fit Center 6212 is at 4.906534 3.579154 0.159273 ESP Fit Center 6213 is at 4.600263 3.871980 0.159273 ESP Fit Center 6214 is at 4.246628 4.105412 0.159273 ESP Fit Center 6215 is at 3.856994 4.271949 0.159273 ESP Fit Center 6216 is at 3.443886 4.366239 0.159273 ESP Fit Center 6217 is at 3.020581 4.385249 0.159273 ESP Fit Center 6218 is at 2.600684 4.328370 0.159273 ESP Fit Center 6219 is at 2.197691 4.197430 0.159273 ESP Fit Center 6220 is at 5.339448 1.193603 0.159273 ESP Fit Center 6221 is at 5.452176 1.602065 0.159273 ESP Fit Center 6222 is at 5.381883 2.024091 -0.244820 ESP Fit Center 6223 is at 5.341127 2.450902 -0.244820 ESP Fit Center 6224 is at 5.220334 2.862287 -0.244820 ESP Fit Center 6225 is at 5.023868 3.243377 -0.244820 ESP Fit Center 6226 is at 4.758831 3.580400 -0.244820 ESP Fit Center 6227 is at 4.434801 3.861173 -0.244820 ESP Fit Center 6228 is at 4.063490 4.075549 -0.244820 ESP Fit Center 6229 is at 3.658319 4.215781 -0.244820 ESP Fit Center 6230 is at 3.233930 4.276798 -0.244820 ESP Fit Center 6231 is at 2.805663 4.256398 -0.244820 ESP Fit Center 6232 is at 2.388997 4.155315 -0.244820 ESP Fit Center 6233 is at 5.220334 1.185894 -0.244820 ESP Fit Center 6234 is at 5.341127 1.597279 -0.244820 ESP Fit Center 6235 is at 5.205082 2.024091 -0.623971 ESP Fit Center 6236 is at 5.162535 2.442482 -0.623971 ESP Fit Center 6237 is at 5.036639 2.843744 -0.623971 ESP Fit Center 6238 is at 4.832545 3.211449 -0.623971 ESP Fit Center 6239 is at 4.558612 3.530544 -0.623971 ESP Fit Center 6240 is at 4.226052 3.787965 -0.623971 ESP Fit Center 6241 is at 3.848481 3.973172 -0.623971 ESP Fit Center 6242 is at 3.441357 4.078583 -0.623971 ESP Fit Center 6243 is at 3.021348 4.099884 -0.623971 ESP Fit Center 6244 is at 2.605649 4.036201 -0.623971 ESP Fit Center 6245 is at 5.036639 1.204437 -0.623971 ESP Fit Center 6246 is at 5.162535 1.605700 -0.623971 ESP Fit Center 6247 is at 4.965127 2.024091 -0.966661 ESP Fit Center 6248 is at 4.915570 2.448079 -0.966661 ESP Fit Center 6249 is at 4.769570 2.849211 -0.966661 ESP Fit Center 6250 is at 4.534998 3.205860 -0.966661 ESP Fit Center 6251 is at 4.224501 3.498799 -0.966661 ESP Fit Center 6252 is at 3.854816 3.712237 -0.966661 ESP Fit Center 6253 is at 3.445874 3.834666 -0.966661 ESP Fit Center 6254 is at 3.019721 3.859487 -0.966661 ESP Fit Center 6255 is at 4.915570 1.600102 -0.966661 ESP Fit Center 6256 is at 4.669311 2.024091 -1.262478 ESP Fit Center 6257 is at 4.612104 2.440304 -1.262478 ESP Fit Center 6258 is at 4.444725 2.825648 -1.262478 ESP Fit Center 6259 is at 4.179589 3.151544 -1.262478 ESP Fit Center 6260 is at 3.836359 3.393823 -1.262478 ESP Fit Center 6261 is at 3.440490 3.534514 -1.262478 ESP Fit Center 6262 is at 1.856985 1.538268 4.092954 ESP Fit Center 6263 is at 2.273741 1.538268 4.056493 ESP Fit Center 6264 is at 2.065363 1.899189 4.056493 ESP Fit Center 6265 is at 1.648607 1.899189 4.056493 ESP Fit Center 6266 is at 1.440229 1.538268 4.056493 ESP Fit Center 6267 is at 1.648607 1.177347 4.056493 ESP Fit Center 6268 is at 2.065363 1.177347 4.056493 ESP Fit Center 6269 is at 2.677833 1.538268 3.948216 ESP Fit Center 6270 is at 2.567860 1.948692 3.948216 ESP Fit Center 6271 is at 2.267409 2.249143 3.948216 ESP Fit Center 6272 is at 1.856985 2.359116 3.948216 ESP Fit Center 6273 is at 1.446561 2.249143 3.948216 ESP Fit Center 6274 is at 1.146109 1.948692 3.948216 ESP Fit Center 6275 is at 1.036137 1.538268 3.948216 ESP Fit Center 6276 is at 1.146109 1.127844 3.948216 ESP Fit Center 6277 is at 1.446561 0.827392 3.948216 ESP Fit Center 6278 is at 1.856985 0.717419 3.948216 ESP Fit Center 6279 is at 2.267409 0.827392 3.948216 ESP Fit Center 6280 is at 2.567860 1.127844 3.948216 ESP Fit Center 6281 is at 3.056985 1.538268 3.771415 ESP Fit Center 6282 is at 2.984616 1.948692 3.771415 ESP Fit Center 6283 is at 2.776238 2.309613 3.771415 ESP Fit Center 6284 is at 2.456985 2.577498 3.771415 ESP Fit Center 6285 is at 2.065363 2.720037 3.771415 ESP Fit Center 6286 is at 1.648607 2.720037 3.771415 ESP Fit Center 6287 is at 1.256985 2.577498 3.771415 ESP Fit Center 6288 is at 0.937732 2.309613 3.771415 ESP Fit Center 6289 is at 0.729354 1.948692 3.771415 ESP Fit Center 6290 is at 0.656985 1.538268 3.771415 ESP Fit Center 6291 is at 0.729354 1.127844 3.771415 ESP Fit Center 6292 is at 0.937732 0.766923 3.771415 ESP Fit Center 6293 is at 1.256985 0.499037 3.771415 ESP Fit Center 6294 is at 1.648607 0.356498 3.771415 ESP Fit Center 6295 is at 2.065363 0.356498 3.771415 ESP Fit Center 6296 is at 2.456985 0.499037 3.771415 ESP Fit Center 6297 is at 2.776238 0.766923 3.771415 ESP Fit Center 6298 is at 2.984616 1.127844 3.771415 ESP Fit Center 6299 is at 3.175089 2.339825 3.531461 ESP Fit Center 6300 is at 2.909953 2.665721 3.531461 ESP Fit Center 6301 is at 2.566723 2.908000 3.531461 ESP Fit Center 6302 is at 2.170855 3.048691 3.531461 ESP Fit Center 6303 is at 1.751708 3.077362 3.531461 ESP Fit Center 6304 is at 1.340369 2.991884 3.531461 ESP Fit Center 6305 is at 0.967346 2.798599 3.531461 ESP Fit Center 6306 is at 0.660303 2.511841 3.531461 ESP Fit Center 6307 is at 0.442012 2.152877 3.531461 ESP Fit Center 6308 is at 0.328663 1.748331 3.531461 ESP Fit Center 6309 is at 0.328663 1.328205 3.531461 ESP Fit Center 6310 is at 0.442012 0.923658 3.531461 ESP Fit Center 6311 is at 0.660303 0.564694 3.531461 ESP Fit Center 6312 is at 0.967346 0.277936 3.531461 ESP Fit Center 6313 is at 1.340369 0.084651 3.531461 ESP Fit Center 6314 is at 2.954865 3.012977 3.235644 ESP Fit Center 6315 is at 2.585180 3.226414 3.235644 ESP Fit Center 6316 is at 2.176238 3.348843 3.235644 ESP Fit Center 6317 is at 1.750085 3.373664 3.235644 ESP Fit Center 6318 is at 1.329695 3.299538 3.235644 ESP Fit Center 6319 is at 0.937732 3.130461 3.235644 ESP Fit Center 6320 is at 0.129354 0.909461 3.235644 ESP Fit Center 6321 is at 0.320935 0.527992 3.235644 ESP Fit Center 6322 is at 0.595325 0.200986 3.235644 ESP Fit Center 6323 is at 2.578845 3.487349 2.892954 ESP Fit Center 6324 is at 2.171722 3.592761 2.892954 ESP Fit Center 6325 is at 1.751713 3.614061 2.892954 ESP Fit Center 6326 is at 1.336013 3.550378 2.892954 ESP Fit Center 6327 is at 0.279936 0.184415 2.892954 ESP Fit Center 6328 is at 2.388683 3.729958 2.513802 ESP Fit Center 6329 is at 1.964295 3.790976 2.513802 ESP Fit Center 6330 is at 1.536028 3.770575 2.513802 ESP Fit Center 6331 is at 1.750945 3.899426 2.109710 ESP Fit Center 6332 is at -3.639616 0.983314 2.512272 ESP Fit Center 6333 is at -4.056372 0.983314 2.335471 ESP Fit Center 6334 is at -4.128741 0.572890 2.335471 ESP Fit Center 6335 is at -4.056372 0.162466 2.335471 ESP Fit Center 6336 is at -4.125423 1.546463 2.095517 ESP Fit Center 6337 is at -4.343713 1.187499 2.095517 ESP Fit Center 6338 is at -4.457062 0.782953 2.095517 ESP Fit Center 6339 is at -4.457062 0.362827 2.095517 ESP Fit Center 6340 is at -4.343713 -0.041720 2.095517 ESP Fit Center 6341 is at -4.464790 1.583166 1.799700 ESP Fit Center 6342 is at -4.656372 1.201696 1.799700 ESP Fit Center 6343 is at -4.754816 0.786328 1.799700 ESP Fit Center 6344 is at -4.754816 0.359452 1.799700 ESP Fit Center 6345 is at -4.656372 -0.055916 1.799700 ESP Fit Center 6346 is at -4.505790 1.926742 1.457010 ESP Fit Center 6347 is at -4.746036 1.581571 1.457010 ESP Fit Center 6348 is at -4.911882 1.195105 1.457010 ESP Fit Center 6349 is at -4.996538 0.783164 1.457010 ESP Fit Center 6350 is at -4.996538 0.362616 1.457010 ESP Fit Center 6351 is at -4.911882 -0.049325 1.457010 ESP Fit Center 6352 is at -4.701496 1.967001 1.077858 ESP Fit Center 6353 is at -4.933298 1.606311 1.077858 ESP Fit Center 6354 is at -5.092649 1.208271 1.077858 ESP Fit Center 6355 is at -5.173791 0.787266 1.077858 ESP Fit Center 6356 is at -5.173791 0.358514 1.077858 ESP Fit Center 6357 is at -5.092649 -0.062491 1.077858 ESP Fit Center 6358 is at -4.840883 1.962143 0.673766 ESP Fit Center 6359 is at -5.058215 1.598391 0.673766 ESP Fit Center 6360 is at -5.207104 1.201678 0.673766 ESP Fit Center 6361 is at -5.282764 0.784756 0.673766 ESP Fit Center 6362 is at -5.282764 0.361024 0.673766 ESP Fit Center 6363 is at -5.207104 -0.055898 0.673766 ESP Fit Center 6364 is at -4.767247 2.115580 0.257010 ESP Fit Center 6365 is at -5.007202 1.772890 0.257010 ESP Fit Center 6366 is at -5.184003 1.393738 0.257010 ESP Fit Center 6367 is at -5.292279 0.989646 0.257010 ESP Fit Center 6368 is at -5.328741 0.572890 0.257010 ESP Fit Center 6369 is at -5.292279 0.156134 0.257010 ESP Fit Center 6370 is at -4.840883 1.962143 -0.159746 ESP Fit Center 6371 is at -5.058215 1.598391 -0.159746 ESP Fit Center 6372 is at -5.207104 1.201678 -0.159746 ESP Fit Center 6373 is at -5.282764 0.784756 -0.159746 ESP Fit Center 6374 is at -5.282764 0.361024 -0.159746 ESP Fit Center 6375 is at -4.701496 1.967001 -0.563838 ESP Fit Center 6376 is at -4.933298 1.606311 -0.563838 ESP Fit Center 6377 is at -5.092649 1.208271 -0.563838 ESP Fit Center 6378 is at -5.173791 0.787266 -0.563838 ESP Fit Center 6379 is at -5.173791 0.358514 -0.563838 ESP Fit Center 6380 is at -4.505790 1.926742 -0.942990 ESP Fit Center 6381 is at -4.746036 1.581571 -0.942990 ESP Fit Center 6382 is at -4.911882 1.195105 -0.942990 ESP Fit Center 6383 is at -4.996538 0.783164 -0.942990 ESP Fit Center 6384 is at -4.996538 0.362616 -0.942990 ESP Fit Center 6385 is at -4.464790 1.583166 -1.285680 ESP Fit Center 6386 is at -4.656372 1.201696 -1.285680 ESP Fit Center 6387 is at -4.754816 0.786328 -1.285680 ESP Fit Center 6388 is at -4.754816 0.359452 -1.285680 ESP Fit Center 6389 is at -4.125423 1.546463 -1.581497 ESP Fit Center 6390 is at -4.343713 1.187499 -1.581497 ESP Fit Center 6391 is at -4.457062 0.782953 -1.581497 ESP Fit Center 6392 is at 4.340633 -2.986953 -0.863432 ESP Fit Center 6393 is at 4.480788 -2.601881 -0.863432 ESP Fit Center 6394 is at 3.762629 -3.678630 -1.257703 ESP Fit Center 6395 is at 4.014850 -3.351993 -1.257703 ESP Fit Center 6396 is at 4.216825 -2.992112 -1.257703 ESP Fit Center 6397 is at 4.364248 -2.606659 -1.257703 ESP Fit Center 6398 is at 3.812262 -3.357922 -1.633259 ESP Fit Center 6399 is at 4.030654 -3.001539 -1.633259 ESP Fit Center 6400 is at 4.190607 -2.615380 -1.633259 ESP Fit Center 6401 is at 3.796998 -2.987561 -1.983105 ESP Fit Center 6402 is at 3.968227 -2.608761 -1.983105 ESP Fit Center 6403 is at 3.692774 -2.607138 -2.300723 ESP Fit Center 6404 is at 3.810206 -2.207200 -2.300723 ESP Fit Center 6405 is at 3.375599 -2.587226 -2.580198 ESP Fit Center 6406 is at 3.506320 -2.199261 -2.580198 ESP Fit Center 6407 is at 3.216071 -1.792265 -2.816322 ESP Fit Center 6408 is at 3.158269 -2.212811 -2.816322 ESP Fit Center 6409 is at 2.852523 -1.792265 -3.004698 ESP Fit Center 6410 is at 2.780443 -2.201049 -3.004698 ESP Fit Center 6411 is at 2.466710 -1.792265 -3.141816 ESP Fit Center 6412 is at 0.847929 -1.792265 -3.141816 ESP Fit Center 6413 is at 2.065819 -1.792265 -3.225122 ESP Fit Center 6414 is at 1.861570 -1.438494 -3.225122 ESP Fit Center 6415 is at 1.453070 -1.438494 -3.225122 ESP Fit Center 6416 is at 1.248820 -1.792265 -3.225122 ESP Fit Center 6417 is at 1.657320 -1.792265 -3.253064 ESP Fit Center 6418 is at -1.618944 -4.152795 1.442808 ESP Fit Center 6419 is at -1.245921 -4.346080 1.442808 ESP Fit Center 6420 is at -0.834582 -4.431557 1.442808 ESP Fit Center 6421 is at -1.990965 -4.229745 1.146992 ESP Fit Center 6422 is at -1.648558 -4.484657 1.146992 ESP Fit Center 6423 is at -1.256595 -4.653734 1.146992 ESP Fit Center 6424 is at -0.836205 -4.727860 1.146992 ESP Fit Center 6425 is at -2.001543 -4.536060 0.804302 ESP Fit Center 6426 is at -1.644647 -4.758515 0.804302 ESP Fit Center 6427 is at -1.250277 -4.904574 0.804302 ESP Fit Center 6428 is at -0.834577 -4.968257 0.804302 ESP Fit Center 6429 is at -0.414568 -4.946956 0.804302 ESP Fit Center 6430 is at -2.206188 -4.596877 0.425150 ESP Fit Center 6431 is at -1.856936 -4.845578 0.425150 ESP Fit Center 6432 is at -1.466929 -5.023688 0.425150 ESP Fit Center 6433 is at -1.050262 -5.124770 0.425150 ESP Fit Center 6434 is at -0.621995 -5.145171 0.425150 ESP Fit Center 6435 is at -0.197607 -5.084153 0.425150 ESP Fit Center 6436 is at -2.362658 -4.600817 0.021057 ESP Fit Center 6437 is at -2.031371 -4.865010 0.021057 ESP Fit Center 6438 is at -1.658235 -5.065803 0.021057 ESP Fit Center 6439 is at -1.255242 -5.196743 0.021057 ESP Fit Center 6440 is at -0.835345 -5.253622 0.021057 ESP Fit Center 6441 is at -0.412040 -5.234611 0.021057 ESP Fit Center 6442 is at 0.001069 -5.140322 0.021057 ESP Fit Center 6443 is at 0.390702 -4.973785 0.021057 ESP Fit Center 6444 is at -2.271995 -4.730970 -0.395698 ESP Fit Center 6445 is at -1.929305 -4.970924 -0.395698 ESP Fit Center 6446 is at -1.550153 -5.147726 -0.395698 ESP Fit Center 6447 is at -1.146061 -5.256002 -0.395698 ESP Fit Center 6448 is at -0.729305 -5.292463 -0.395698 ESP Fit Center 6449 is at -0.312549 -5.256002 -0.395698 ESP Fit Center 6450 is at 0.091543 -5.147726 -0.395698 ESP Fit Center 6451 is at 0.470695 -4.970924 -0.395698 ESP Fit Center 6452 is at -2.362658 -4.600817 -0.812454 ESP Fit Center 6453 is at -2.031371 -4.865010 -0.812454 ESP Fit Center 6454 is at -1.658235 -5.065803 -0.812454 ESP Fit Center 6455 is at -1.255242 -5.196743 -0.812454 ESP Fit Center 6456 is at -0.835345 -5.253622 -0.812454 ESP Fit Center 6457 is at -0.412040 -5.234611 -0.812454 ESP Fit Center 6458 is at 0.001069 -5.140322 -0.812454 ESP Fit Center 6459 is at 0.390702 -4.973785 -0.812454 ESP Fit Center 6460 is at -2.206188 -4.596877 -1.216547 ESP Fit Center 6461 is at -1.856936 -4.845578 -1.216547 ESP Fit Center 6462 is at -1.466929 -5.023688 -1.216547 ESP Fit Center 6463 is at -1.050262 -5.124770 -1.216547 ESP Fit Center 6464 is at -0.621995 -5.145171 -1.216547 ESP Fit Center 6465 is at -0.197607 -5.084153 -1.216547 ESP Fit Center 6466 is at 0.207565 -4.943922 -1.216547 ESP Fit Center 6467 is at -2.306354 -4.246316 -1.595698 ESP Fit Center 6468 is at -2.001543 -4.536060 -1.595698 ESP Fit Center 6469 is at -1.644647 -4.758515 -1.595698 ESP Fit Center 6470 is at -1.250277 -4.904574 -1.595698 ESP Fit Center 6471 is at -0.834577 -4.968257 -1.595698 ESP Fit Center 6472 is at -0.414568 -4.946956 -1.595698 ESP Fit Center 6473 is at -0.007445 -4.841545 -1.595698 ESP Fit Center 6474 is at 0.370126 -4.656337 -1.595698 ESP Fit Center 6475 is at -2.265355 -3.902739 -1.938388 ESP Fit Center 6476 is at -1.990965 -4.229745 -1.938388 ESP Fit Center 6477 is at -1.648558 -4.484657 -1.938388 ESP Fit Center 6478 is at -1.256595 -4.653734 -1.938388 ESP Fit Center 6479 is at -0.836205 -4.727860 -1.938388 ESP Fit Center 6480 is at -0.410052 -4.703039 -1.938388 ESP Fit Center 6481 is at -0.001110 -4.580610 -1.938388 ESP Fit Center 6482 is at -1.925987 -3.866037 -2.234205 ESP Fit Center 6483 is at -1.618944 -4.152795 -2.234205 ESP Fit Center 6484 is at -1.245921 -4.346080 -2.234205 ESP Fit Center 6485 is at -0.834582 -4.431557 -2.234205 ESP Fit Center 6486 is at -0.415435 -4.402887 -2.234205 ESP Fit Center 6487 is at -0.019567 -4.262195 -2.234205 ESP Fit Center 6488 is at -1.329305 -3.931694 -2.474159 ESP Fit Center 6489 is at -0.937683 -4.074233 -2.474159 ESP Fit Center 6490 is at -0.520927 -4.074233 -2.474159 ESP Fit Center 6491 is at -0.129305 -3.931694 -2.474159 ESP Fit Center 6492 is at -0.729305 -3.713312 -2.650961 ESP Fit Center 6493 is at 3.616187 -0.081719 3.205950 ESP Fit Center 6494 is at 3.824565 -0.442640 3.029148 ESP Fit Center 6495 is at 4.032943 -0.081719 3.029148 ESP Fit Center 6496 is at 4.448002 0.328705 2.789194 ESP Fit Center 6497 is at 4.223416 -0.472852 2.789194 ESP Fit Center 6498 is at 4.390795 -0.087508 2.789194 ESP Fit Center 6499 is at 4.743818 0.328705 2.493378 ESP Fit Center 6500 is at 4.313690 -0.853064 2.493378 ESP Fit Center 6501 is at 4.548261 -0.496415 2.493378 ESP Fit Center 6502 is at 4.694261 -0.095284 2.493378 ESP Fit Center 6503 is at 4.983773 0.328705 2.150687 ESP Fit Center 6504 is at 4.611237 -0.858654 2.150687 ESP Fit Center 6505 is at 4.815330 -0.490948 2.150687 ESP Fit Center 6506 is at 4.941227 -0.089686 2.150687 ESP Fit Center 6507 is at 5.160574 0.328705 1.771536 ESP Fit Center 6508 is at 4.802559 -0.890582 1.771536 ESP Fit Center 6509 is at 4.999025 -0.509491 1.771536 ESP Fit Center 6510 is at 5.119819 -0.098106 1.771536 ESP Fit Center 6511 is at 5.268850 0.328705 1.367443 ESP Fit Center 6512 is at 4.934289 -0.883552 1.367443 ESP Fit Center 6513 is at 5.118139 -0.501783 1.367443 ESP Fit Center 6514 is at 5.230867 -0.093321 1.367443 ESP Fit Center 6515 is at 5.305312 0.328705 0.950687 ESP Fit Center 6516 is at 4.983773 -0.871295 0.950687 ESP Fit Center 6517 is at 5.160574 -0.492143 0.950687 ESP Fit Center 6518 is at 5.268850 -0.088051 0.950687 ESP Fit Center 6519 is at 5.268850 0.328705 0.533932 ESP Fit Center 6520 is at 4.934289 -0.883552 0.533932 ESP Fit Center 6521 is at 5.118139 -0.501783 0.533932 ESP Fit Center 6522 is at 5.230867 -0.093321 0.533932 ESP Fit Center 6523 is at 5.160574 0.328705 0.129839 ESP Fit Center 6524 is at 4.802559 -0.890582 0.129839 ESP Fit Center 6525 is at 4.999025 -0.509491 0.129839 ESP Fit Center 6526 is at 5.119819 -0.098106 0.129839 ESP Fit Center 6527 is at 4.815330 -0.490948 -0.249313 ESP Fit Center 6528 is at 4.941227 -0.089686 -0.249313 ESP Fit Center 6529 is at 4.694261 -0.095284 -0.592003 ESP Fit Center 6530 is at 2.326459 3.343809 -2.706151 ESP Fit Center 6531 is at 1.913351 3.438098 -2.706151 ESP Fit Center 6532 is at 1.490046 3.457109 -2.706151 ESP Fit Center 6533 is at 1.070149 3.400230 -2.706151 ESP Fit Center 6534 is at 0.667156 3.269290 -2.706151 ESP Fit Center 6535 is at 2.532956 3.147409 -3.110244 ESP Fit Center 6536 is at 2.127784 3.287640 -3.110244 ESP Fit Center 6537 is at 1.703395 3.348658 -3.110244 ESP Fit Center 6538 is at 1.275128 3.328257 -3.110244 ESP Fit Center 6539 is at 0.858462 3.227175 -3.110244 ESP Fit Center 6540 is at 0.468455 3.049065 -3.110244 ESP Fit Center 6541 is at 0.119203 2.800364 -3.110244 ESP Fit Center 6542 is at -0.176670 2.490061 -3.110244 ESP Fit Center 6543 is at -0.408471 2.129371 -3.110244 ESP Fit Center 6544 is at -0.567823 1.731331 -3.110244 ESP Fit Center 6545 is at -0.648965 1.310327 -3.110244 ESP Fit Center 6546 is at -0.648965 0.881574 -3.110244 ESP Fit Center 6547 is at -0.567823 0.460570 -3.110244 ESP Fit Center 6548 is at -0.408471 0.062529 -3.110244 ESP Fit Center 6549 is at -0.176670 -0.298160 -3.110244 ESP Fit Center 6550 is at 3.028077 2.602404 -3.489396 ESP Fit Center 6551 is at 2.695517 2.859824 -3.489396 ESP Fit Center 6552 is at 2.317946 3.045032 -3.489396 ESP Fit Center 6553 is at 1.910823 3.150443 -3.489396 ESP Fit Center 6554 is at 1.490813 3.171744 -3.489396 ESP Fit Center 6555 is at 1.075114 3.108061 -3.489396 ESP Fit Center 6556 is at 0.680744 2.962002 -3.489396 ESP Fit Center 6557 is at 0.323847 2.739547 -3.489396 ESP Fit Center 6558 is at 0.019037 2.449803 -3.489396 ESP Fit Center 6559 is at -0.221210 2.104632 -3.489396 ESP Fit Center 6560 is at -0.387055 1.718165 -3.489396 ESP Fit Center 6561 is at -0.471711 1.306225 -3.489396 ESP Fit Center 6562 is at -0.471711 0.885676 -3.489396 ESP Fit Center 6563 is at -0.387055 0.473736 -3.489396 ESP Fit Center 6564 is at -0.221210 0.087269 -3.489396 ESP Fit Center 6565 is at 0.019037 -0.257902 -3.489396 ESP Fit Center 6566 is at 0.323847 -0.547646 -3.489396 ESP Fit Center 6567 is at 0.680744 -0.770101 -3.489396 ESP Fit Center 6568 is at 1.075114 -0.916160 -3.489396 ESP Fit Center 6569 is at 3.239035 1.921071 -3.832086 ESP Fit Center 6570 is at 3.004464 2.277720 -3.832086 ESP Fit Center 6571 is at 2.693966 2.570659 -3.832086 ESP Fit Center 6572 is at 2.324281 2.784097 -3.832086 ESP Fit Center 6573 is at 1.915339 2.906526 -3.832086 ESP Fit Center 6574 is at 1.489186 2.931347 -3.832086 ESP Fit Center 6575 is at 1.068796 2.857221 -3.832086 ESP Fit Center 6576 is at 0.676832 2.688144 -3.832086 ESP Fit Center 6577 is at 0.334426 2.433232 -3.832086 ESP Fit Center 6578 is at 0.060036 2.106226 -3.832086 ESP Fit Center 6579 is at -0.131545 1.724757 -3.832086 ESP Fit Center 6580 is at -0.229990 1.309388 -3.832086 ESP Fit Center 6581 is at -0.229990 0.882513 -3.832086 ESP Fit Center 6582 is at -0.131545 0.467144 -3.832086 ESP Fit Center 6583 is at 0.060036 0.085675 -3.832086 ESP Fit Center 6584 is at 0.334426 -0.241331 -3.832086 ESP Fit Center 6585 is at 0.676832 -0.496243 -3.832086 ESP Fit Center 6586 is at 1.068796 -0.665320 -3.832086 ESP Fit Center 6587 is at 1.489186 -0.739446 -3.832086 ESP Fit Center 6588 is at 3.138776 1.095950 -4.127902 ESP Fit Center 6589 is at 3.081569 1.512163 -4.127902 ESP Fit Center 6590 is at 2.914190 1.897508 -4.127902 ESP Fit Center 6591 is at 2.649054 2.223404 -4.127902 ESP Fit Center 6592 is at 2.305824 2.465682 -4.127902 ESP Fit Center 6593 is at 1.909955 2.606374 -4.127902 ESP Fit Center 6594 is at 1.490809 2.635044 -4.127902 ESP Fit Center 6595 is at 1.079470 2.549567 -4.127902 ESP Fit Center 6596 is at 0.706447 2.356282 -4.127902 ESP Fit Center 6597 is at 0.399404 2.069524 -4.127902 ESP Fit Center 6598 is at 0.181113 1.710560 -4.127902 ESP Fit Center 6599 is at 0.067764 1.306013 -4.127902 ESP Fit Center 6600 is at 0.067764 0.885888 -4.127902 ESP Fit Center 6601 is at 0.181113 0.481341 -4.127902 ESP Fit Center 6602 is at 0.399404 0.122377 -4.127902 ESP Fit Center 6603 is at 0.706447 -0.164381 -4.127902 ESP Fit Center 6604 is at 1.079470 -0.357666 -4.127902 ESP Fit Center 6605 is at 1.490809 -0.443143 -4.127902 ESP Fit Center 6606 is at 1.909955 -0.414473 -4.127902 ESP Fit Center 6607 is at 2.305824 -0.273781 -4.127902 ESP Fit Center 6608 is at 2.796086 1.095950 -4.367857 ESP Fit Center 6609 is at 2.723717 1.506375 -4.367857 ESP Fit Center 6610 is at 2.515339 1.867296 -4.367857 ESP Fit Center 6611 is at 2.196086 2.135181 -4.367857 ESP Fit Center 6612 is at 1.804464 2.277720 -4.367857 ESP Fit Center 6613 is at 1.387708 2.277720 -4.367857 ESP Fit Center 6614 is at 0.996086 2.135181 -4.367857 ESP Fit Center 6615 is at 0.676832 1.867296 -4.367857 ESP Fit Center 6616 is at 0.468455 1.506375 -4.367857 ESP Fit Center 6617 is at 0.396086 1.095950 -4.367857 ESP Fit Center 6618 is at 0.468455 0.685526 -4.367857 ESP Fit Center 6619 is at 0.676832 0.324605 -4.367857 ESP Fit Center 6620 is at 0.996086 0.056720 -4.367857 ESP Fit Center 6621 is at 1.387708 -0.085819 -4.367857 ESP Fit Center 6622 is at 1.804464 -0.085819 -4.367857 ESP Fit Center 6623 is at 2.196086 0.056720 -4.367857 ESP Fit Center 6624 is at 2.515339 0.324605 -4.367857 ESP Fit Center 6625 is at 2.723717 0.685526 -4.367857 ESP Fit Center 6626 is at 2.416934 1.095950 -4.544658 ESP Fit Center 6627 is at 2.306961 1.506375 -4.544658 ESP Fit Center 6628 is at 2.006510 1.806826 -4.544658 ESP Fit Center 6629 is at 1.596086 1.916799 -4.544658 ESP Fit Center 6630 is at 1.185662 1.806826 -4.544658 ESP Fit Center 6631 is at 0.885210 1.506375 -4.544658 ESP Fit Center 6632 is at 0.775237 1.095950 -4.544658 ESP Fit Center 6633 is at 0.885210 0.685526 -4.544658 ESP Fit Center 6634 is at 1.185662 0.385075 -4.544658 ESP Fit Center 6635 is at 1.596086 0.275102 -4.544658 ESP Fit Center 6636 is at 2.006510 0.385075 -4.544658 ESP Fit Center 6637 is at 2.306961 0.685526 -4.544658 ESP Fit Center 6638 is at 2.012841 1.095950 -4.652934 ESP Fit Center 6639 is at 1.804464 1.456871 -4.652934 ESP Fit Center 6640 is at 1.387708 1.456871 -4.652934 ESP Fit Center 6641 is at 1.179330 1.095950 -4.652934 ESP Fit Center 6642 is at 1.387708 0.735030 -4.652934 ESP Fit Center 6643 is at 1.804464 0.735030 -4.652934 ESP Fit Center 6644 is at 1.596086 1.095950 -4.689396 ESP Fit Center 6645 is at 4.705469 -1.161249 0.212906 ESP Fit Center 6646 is at 4.813745 -1.161249 -0.191187 ESP Fit Center 6647 is at 4.775762 -0.739223 -0.191187 ESP Fit Center 6648 is at 4.775762 -1.583275 -0.191187 ESP Fit Center 6649 is at 4.850207 -1.161249 -0.607943 ESP Fit Center 6650 is at 4.813745 -0.744494 -0.607943 ESP Fit Center 6651 is at 4.705469 -0.340401 -0.607943 ESP Fit Center 6652 is at 4.705469 -1.982098 -0.607943 ESP Fit Center 6653 is at 4.813745 -1.578005 -0.607943 ESP Fit Center 6654 is at 4.813745 -1.161249 -1.024698 ESP Fit Center 6655 is at 4.775762 -0.739223 -1.024698 ESP Fit Center 6656 is at 4.663034 -0.330761 -1.024698 ESP Fit Center 6657 is at 4.663034 -1.991737 -1.024698 ESP Fit Center 6658 is at 4.775762 -1.583275 -1.024698 ESP Fit Center 6659 is at 4.705469 -1.161249 -1.428791 ESP Fit Center 6660 is at 4.664713 -0.734438 -1.428791 ESP Fit Center 6661 is at 4.543920 -1.999446 -1.428791 ESP Fit Center 6662 is at 4.664713 -1.588061 -1.428791 ESP Fit Center 6663 is at 4.528668 -1.161249 -1.807943 ESP Fit Center 6664 is at 4.486121 -0.742858 -1.807943 ESP Fit Center 6665 is at 4.360225 -1.980903 -1.807943 ESP Fit Center 6666 is at 4.486121 -1.579640 -1.807943 ESP Fit Center 6667 is at 4.288713 -1.161249 -2.150633 ESP Fit Center 6668 is at 4.093156 -1.986370 -2.150633 ESP Fit Center 6669 is at 4.239156 -1.585238 -2.150633 ESP Fit Center 6670 is at 3.992897 -1.161249 -2.446449 ESP Fit Center 6671 is at 3.768311 -1.962806 -2.446449 ESP Fit Center 6672 is at 3.935690 -1.577462 -2.446449 ESP Fit Center 6673 is at 3.577838 -1.571673 -2.686403 ESP Fit Center 6674 is at 3.161082 -1.571673 -2.863205 ESP Fit Center 6675 is at 1.050179 -4.911769 -0.545168 ESP Fit Center 6676 is at 1.470076 -4.968648 -0.545168 ESP Fit Center 6677 is at 1.893381 -4.949638 -0.545168 ESP Fit Center 6678 is at 2.306489 -4.855348 -0.545168 ESP Fit Center 6679 is at 0.755268 -4.862752 -0.961924 ESP Fit Center 6680 is at 1.159360 -4.971028 -0.961924 ESP Fit Center 6681 is at 1.576116 -5.007490 -0.961924 ESP Fit Center 6682 is at 1.992871 -4.971028 -0.961924 ESP Fit Center 6683 is at 2.396964 -4.862752 -0.961924 ESP Fit Center 6684 is at 2.776116 -4.685951 -0.961924 ESP Fit Center 6685 is at 3.118806 -4.445996 -0.961924 ESP Fit Center 6686 is at 3.414623 -4.150180 -0.961924 ESP Fit Center 6687 is at 0.647186 -4.780829 -1.378680 ESP Fit Center 6688 is at 1.050179 -4.911769 -1.378680 ESP Fit Center 6689 is at 1.470076 -4.968648 -1.378680 ESP Fit Center 6690 is at 1.893381 -4.949638 -1.378680 ESP Fit Center 6691 is at 2.306489 -4.855348 -1.378680 ESP Fit Center 6692 is at 2.696123 -4.688811 -1.378680 ESP Fit Center 6693 is at 3.049758 -4.455379 -1.378680 ESP Fit Center 6694 is at 3.356029 -4.162553 -1.378680 ESP Fit Center 6695 is at 3.605093 -3.819747 -1.378680 ESP Fit Center 6696 is at 0.448485 -4.560604 -1.782772 ESP Fit Center 6697 is at 0.838492 -4.738714 -1.782772 ESP Fit Center 6698 is at 1.255159 -4.839797 -1.782772 ESP Fit Center 6699 is at 1.683426 -4.860198 -1.782772 ESP Fit Center 6700 is at 2.107814 -4.799180 -1.782772 ESP Fit Center 6701 is at 2.512986 -4.658948 -1.782772 ESP Fit Center 6702 is at 2.884296 -4.444572 -1.782772 ESP Fit Center 6703 is at 3.208326 -4.163799 -1.782772 ESP Fit Center 6704 is at 3.473363 -3.826777 -1.782772 ESP Fit Center 6705 is at 3.669829 -3.445686 -1.782772 ESP Fit Center 6706 is at 0.303877 -4.251086 -2.161924 ESP Fit Center 6707 is at 0.660774 -4.473541 -2.161924 ESP Fit Center 6708 is at 1.055144 -4.619600 -2.161924 ESP Fit Center 6709 is at 1.470844 -4.683283 -2.161924 ESP Fit Center 6710 is at 1.890853 -4.661983 -2.161924 ESP Fit Center 6711 is at 2.297976 -4.556571 -2.161924 ESP Fit Center 6712 is at 2.675547 -4.371364 -2.161924 ESP Fit Center 6713 is at 3.008107 -4.113943 -2.161924 ESP Fit Center 6714 is at 3.282041 -3.794848 -2.161924 ESP Fit Center 6715 is at 3.486134 -3.427143 -2.161924 ESP Fit Center 6716 is at 0.314456 -3.944771 -2.504614 ESP Fit Center 6717 is at 0.656863 -4.199683 -2.504614 ESP Fit Center 6718 is at 1.048826 -4.368760 -2.504614 ESP Fit Center 6719 is at 1.469216 -4.442886 -2.504614 ESP Fit Center 6720 is at 1.895369 -4.418065 -2.504614 ESP Fit Center 6721 is at 2.304311 -4.295636 -2.504614 ESP Fit Center 6722 is at 2.673996 -4.082199 -2.504614 ESP Fit Center 6723 is at 2.984494 -3.789259 -2.504614 ESP Fit Center 6724 is at 3.219065 -3.432610 -2.504614 ESP Fit Center 6725 is at 3.365065 -3.031478 -2.504614 ESP Fit Center 6726 is at 3.118806 -2.607490 -2.800431 ESP Fit Center 6727 is at 0.161143 -3.222099 -2.800431 ESP Fit Center 6728 is at 0.379434 -3.581063 -2.800431 ESP Fit Center 6729 is at 0.686477 -3.867821 -2.800431 ESP Fit Center 6730 is at 1.059500 -4.061106 -2.800431 ESP Fit Center 6731 is at 1.470839 -4.146584 -2.800431 ESP Fit Center 6732 is at 1.889985 -4.117913 -2.800431 ESP Fit Center 6733 is at 2.285854 -3.977222 -2.800431 ESP Fit Center 6734 is at 2.629084 -3.734943 -2.800431 ESP Fit Center 6735 is at 2.894220 -3.409047 -2.800431 ESP Fit Center 6736 is at 3.061599 -3.023703 -2.800431 ESP Fit Center 6737 is at 2.776116 -2.607490 -3.040385 ESP Fit Center 6738 is at 2.703747 -2.197066 -3.040385 ESP Fit Center 6739 is at 0.448485 -2.197066 -3.040385 ESP Fit Center 6740 is at 0.376116 -2.607490 -3.040385 ESP Fit Center 6741 is at 0.448485 -3.017914 -3.040385 ESP Fit Center 6742 is at 0.656863 -3.378835 -3.040385 ESP Fit Center 6743 is at 0.976116 -3.646720 -3.040385 ESP Fit Center 6744 is at 1.367738 -3.789259 -3.040385 ESP Fit Center 6745 is at 1.784494 -3.789259 -3.040385 ESP Fit Center 6746 is at 2.176116 -3.646720 -3.040385 ESP Fit Center 6747 is at 2.495369 -3.378835 -3.040385 ESP Fit Center 6748 is at 2.703747 -3.017914 -3.040385 ESP Fit Center 6749 is at 2.396964 -2.607490 -3.217186 ESP Fit Center 6750 is at 2.286991 -2.197066 -3.217186 ESP Fit Center 6751 is at 1.165692 -1.896614 -3.217186 ESP Fit Center 6752 is at 0.865240 -2.197066 -3.217186 ESP Fit Center 6753 is at 0.755268 -2.607490 -3.217186 ESP Fit Center 6754 is at 0.865240 -3.017914 -3.217186 ESP Fit Center 6755 is at 1.165692 -3.318365 -3.217186 ESP Fit Center 6756 is at 1.576116 -3.428338 -3.217186 ESP Fit Center 6757 is at 1.986540 -3.318365 -3.217186 ESP Fit Center 6758 is at 2.286991 -3.017914 -3.217186 ESP Fit Center 6759 is at 1.992871 -2.607490 -3.325463 ESP Fit Center 6760 is at 1.784494 -2.246569 -3.325463 ESP Fit Center 6761 is at 1.367738 -2.246569 -3.325463 ESP Fit Center 6762 is at 1.159360 -2.607490 -3.325463 ESP Fit Center 6763 is at 1.367738 -2.968411 -3.325463 ESP Fit Center 6764 is at 1.784494 -2.968411 -3.325463 ESP Fit Center 6765 is at 1.576116 -2.607490 -3.361924 ESP Fit Center 6766 is at 1.788148 -2.722929 4.103132 ESP Fit Center 6767 is at 2.196647 -2.722929 4.103132 ESP Fit Center 6768 is at 1.183007 -2.369158 4.019827 ESP Fit Center 6769 is at 1.291445 -2.773853 4.019827 ESP Fit Center 6770 is at 1.587702 -3.070110 4.019827 ESP Fit Center 6771 is at 1.992398 -3.178548 4.019827 ESP Fit Center 6772 is at 2.397093 -3.070110 4.019827 ESP Fit Center 6773 is at 2.693350 -2.773853 4.019827 ESP Fit Center 6774 is at 3.187601 -2.369158 3.882709 ESP Fit Center 6775 is at 0.797194 -2.369158 3.882709 ESP Fit Center 6776 is at 0.869274 -2.777941 3.882709 ESP Fit Center 6777 is at 1.076819 -3.137420 3.882709 ESP Fit Center 6778 is at 1.394796 -3.404234 3.882709 ESP Fit Center 6779 is at 1.784853 -3.546203 3.882709 ESP Fit Center 6780 is at 2.199942 -3.546203 3.882709 ESP Fit Center 6781 is at 2.589999 -3.404234 3.882709 ESP Fit Center 6782 is at 2.907976 -3.137420 3.882709 ESP Fit Center 6783 is at 3.115521 -2.777941 3.882709 ESP Fit Center 6784 is at 3.551149 -2.369158 3.694333 ESP Fit Center 6785 is at 0.448164 -2.156908 3.694333 ESP Fit Center 6786 is at 0.448164 -2.581408 3.694333 ESP Fit Center 6787 is at 1.886025 -3.924276 3.694333 ESP Fit Center 6788 is at 2.309535 -3.895307 3.694333 ESP Fit Center 6789 is at 2.709525 -3.753151 3.694333 ESP Fit Center 6790 is at 3.056328 -3.508350 3.694333 ESP Fit Center 6791 is at 3.324225 -3.179060 3.694333 ESP Fit Center 6792 is at 3.493347 -2.789704 3.694333 ESP Fit Center 6793 is at 3.885661 -2.369158 3.458209 ESP Fit Center 6794 is at 3.841398 -1.962162 3.458209 ESP Fit Center 6795 is at 0.198240 -1.764636 3.458209 ESP Fit Center 6796 is at 0.110232 -2.164460 3.458209 ESP Fit Center 6797 is at 2.094897 -4.259645 3.458209 ESP Fit Center 6798 is at 2.498899 -4.193412 3.458209 ESP Fit Center 6799 is at 2.879218 -4.041879 3.458209 ESP Fit Center 6800 is at 3.218071 -3.812132 3.458209 ESP Fit Center 6801 is at 3.499612 -3.514912 3.458209 ESP Fit Center 6802 is at 3.710677 -3.164119 3.458209 ESP Fit Center 6803 is at 3.841398 -2.776154 3.458209 ESP Fit Center 6804 is at 4.184905 -2.369158 3.178734 ESP Fit Center 6805 is at 4.145284 -1.954223 3.178734 ESP Fit Center 6806 is at -0.111298 -1.751457 3.178734 ESP Fit Center 6807 is at -0.190183 -2.160747 3.178734 ESP Fit Center 6808 is at 2.096721 -4.559182 3.178734 ESP Fit Center 6809 is at 2.509301 -4.499862 3.178734 ESP Fit Center 6810 is at 2.903198 -4.363533 3.178734 ESP Fit Center 6811 is at 3.264177 -4.155122 3.178734 ESP Fit Center 6812 is at 4.408053 -1.954952 2.861116 ESP Fit Center 6813 is at 4.303305 -1.552662 2.861116 ESP Fit Center 6814 is at -0.240941 -1.359625 2.861116 ESP Fit Center 6815 is at -0.379429 -1.751582 2.861116 ESP Fit Center 6816 is at -0.449683 -2.161306 2.861116 ESP Fit Center 6817 is at 2.508753 -4.765057 2.861116 ESP Fit Center 6818 is at 2.906235 -4.643330 2.861116 ESP Fit Center 6819 is at 3.277427 -4.456179 2.861116 ESP Fit Center 6820 is at 4.525685 -1.546043 2.511270 ESP Fit Center 6821 is at 4.365732 -1.159883 2.511270 ESP Fit Center 6822 is at 2.409085 -5.000019 2.511270 ESP Fit Center 6823 is at 2.815512 -4.902445 2.511270 ESP Fit Center 6824 is at 4.551903 -1.169311 2.135713 ESP Fit Center 6825 is at 2.301566 -5.178983 2.135713 ESP Fit Center 6826 is at 2.707385 -5.104024 2.135713 ESP Fit Center 6827 is at 4.675711 -1.174470 1.741443 ESP Fit Center 6828 is at 2.502446 -5.261787 1.741443 ESP Fit Center 6829 is at 2.900058 -5.162651 1.741443 ESP Fit Center 6830 is at 2.512128 -5.316694 1.335802 ESP Fit Center 6831 is at 2.096852 -5.360341 0.926347 ESP Fit Center 6832 is at 2.512128 -5.316694 0.926347 ESP Fit Center 6833 is at 2.094906 -5.304621 0.520707 ESP Fit Center 6834 is at 2.502446 -5.261787 0.520707 ESP Fit Center 6835 is at 1.478950 -5.148919 0.126436 ESP Fit Center 6836 is at 1.889158 -5.194055 0.126436 ESP Fit Center 6837 is at 2.301566 -5.178983 0.126436 ESP Fit Center 6838 is at 2.707385 -5.104024 0.126436 ESP Fit Center 6839 is at 1.169283 -4.902445 -0.249120 ESP Fit Center 6840 is at 1.575710 -5.000019 -0.249120 ESP Fit Center 6841 is at 1.992398 -5.032813 -0.249120 ESP Fit Center 6842 is at 2.409085 -5.000019 -0.249120 ESP Fit Center 6843 is at 2.815512 -4.902445 -0.249120 ESP Fit Center 6844 is at 2.906235 -4.643330 -0.598966 ESP Fit Center 6845 is at 4.168243 -2.842453 3.182732 ESP Fit Center 6846 is at 3.887496 -3.613798 3.182732 ESP Fit Center 6847 is at 4.095874 -3.252877 3.182732 ESP Fit Center 6848 is at 4.510933 -2.842453 2.942777 ESP Fit Center 6849 is at 4.453726 -2.426240 2.942777 ESP Fit Center 6850 is at 3.677980 -4.212184 2.942777 ESP Fit Center 6851 is at 4.021211 -3.969906 2.942777 ESP Fit Center 6852 is at 4.286347 -3.644010 2.942777 ESP Fit Center 6853 is at 4.453726 -3.258665 2.942777 ESP Fit Center 6854 is at 4.806749 -2.842453 2.646961 ESP Fit Center 6855 is at 4.757192 -2.418464 2.646961 ESP Fit Center 6856 is at 4.611192 -2.017332 2.646961 ESP Fit Center 6857 is at 3.287496 -4.653028 2.646961 ESP Fit Center 6858 is at 3.696438 -4.530599 2.646961 ESP Fit Center 6859 is at 4.066123 -4.317161 2.646961 ESP Fit Center 6860 is at 4.376620 -4.024222 2.646961 ESP Fit Center 6861 is at 4.611192 -3.667573 2.646961 ESP Fit Center 6862 is at 4.757192 -3.266441 2.646961 ESP Fit Center 6863 is at 5.046704 -2.842453 2.304271 ESP Fit Center 6864 is at 5.004157 -2.424061 2.304271 ESP Fit Center 6865 is at 4.878261 -2.022799 2.304271 ESP Fit Center 6866 is at 4.674167 -1.655094 2.304271 ESP Fit Center 6867 is at 3.282979 -4.896945 2.304271 ESP Fit Center 6868 is at 3.690103 -4.791534 2.304271 ESP Fit Center 6869 is at 4.067674 -4.606327 2.304271 ESP Fit Center 6870 is at 4.400233 -4.348906 2.304271 ESP Fit Center 6871 is at 4.674167 -4.029811 2.304271 ESP Fit Center 6872 is at 4.878261 -3.662106 2.304271 ESP Fit Center 6873 is at 5.004157 -3.260844 2.304271 ESP Fit Center 6874 is at 5.223505 -2.842453 1.925119 ESP Fit Center 6875 is at 5.182749 -2.415641 1.925119 ESP Fit Center 6876 is at 5.061956 -2.004256 1.925119 ESP Fit Center 6877 is at 4.865490 -1.623166 1.925119 ESP Fit Center 6878 is at 3.075552 -5.095160 1.925119 ESP Fit Center 6879 is at 3.499941 -5.034143 1.925119 ESP Fit Center 6880 is at 3.905112 -4.893911 1.925119 ESP Fit Center 6881 is at 4.276423 -4.679535 1.925119 ESP Fit Center 6882 is at 4.600453 -4.398762 1.925119 ESP Fit Center 6883 is at 4.865490 -4.061739 1.925119 ESP Fit Center 6884 is at 5.061956 -3.680649 1.925119 ESP Fit Center 6885 is at 5.182749 -3.269264 1.925119 ESP Fit Center 6886 is at 5.331781 -2.842453 1.521026 ESP Fit Center 6887 is at 5.293798 -2.420426 1.521026 ESP Fit Center 6888 is at 5.181070 -2.011965 1.521026 ESP Fit Center 6889 is at 4.997219 -1.630195 1.521026 ESP Fit Center 6890 is at 3.285508 -5.184601 1.521026 ESP Fit Center 6891 is at 3.698616 -5.090311 1.521026 ESP Fit Center 6892 is at 4.088250 -4.923774 1.521026 ESP Fit Center 6893 is at 4.441885 -4.690341 1.521026 ESP Fit Center 6894 is at 4.748156 -4.397516 1.521026 ESP Fit Center 6895 is at 4.997219 -4.054710 1.521026 ESP Fit Center 6896 is at 5.181070 -3.672941 1.521026 ESP Fit Center 6897 is at 5.293798 -3.264479 1.521026 ESP Fit Center 6898 is at 5.368243 -2.842453 1.104271 ESP Fit Center 6899 is at 5.331781 -2.425697 1.104271 ESP Fit Center 6900 is at 5.223505 -2.021604 1.104271 ESP Fit Center 6901 is at 5.046704 -1.642453 1.104271 ESP Fit Center 6902 is at 4.806749 -1.299762 1.104271 ESP Fit Center 6903 is at 2.968243 -5.242453 1.104271 ESP Fit Center 6904 is at 3.384998 -5.205991 1.104271 ESP Fit Center 6905 is at 3.789091 -5.097715 1.104271 ESP Fit Center 6906 is at 4.168243 -4.920914 1.104271 ESP Fit Center 6907 is at 4.510933 -4.680959 1.104271 ESP Fit Center 6908 is at 4.806749 -4.385143 1.104271 ESP Fit Center 6909 is at 5.046704 -4.042453 1.104271 ESP Fit Center 6910 is at 5.223505 -3.663301 1.104271 ESP Fit Center 6911 is at 5.331781 -3.259208 1.104271 ESP Fit Center 6912 is at 5.331781 -2.842453 0.687515 ESP Fit Center 6913 is at 5.293798 -2.420426 0.687515 ESP Fit Center 6914 is at 5.181070 -2.011965 0.687515 ESP Fit Center 6915 is at 4.997219 -1.630195 0.687515 ESP Fit Center 6916 is at 3.285508 -5.184601 0.687515 ESP Fit Center 6917 is at 3.698616 -5.090311 0.687515 ESP Fit Center 6918 is at 4.088250 -4.923774 0.687515 ESP Fit Center 6919 is at 4.441885 -4.690341 0.687515 ESP Fit Center 6920 is at 4.748156 -4.397516 0.687515 ESP Fit Center 6921 is at 4.997219 -4.054710 0.687515 ESP Fit Center 6922 is at 5.181070 -3.672941 0.687515 ESP Fit Center 6923 is at 5.293798 -3.264479 0.687515 ESP Fit Center 6924 is at 5.223505 -2.842453 0.283422 ESP Fit Center 6925 is at 5.182749 -2.415641 0.283422 ESP Fit Center 6926 is at 5.061956 -2.004256 0.283422 ESP Fit Center 6927 is at 4.865490 -1.623166 0.283422 ESP Fit Center 6928 is at 3.075552 -5.095160 0.283422 ESP Fit Center 6929 is at 3.499941 -5.034143 0.283422 ESP Fit Center 6930 is at 3.905112 -4.893911 0.283422 ESP Fit Center 6931 is at 4.276423 -4.679535 0.283422 ESP Fit Center 6932 is at 4.600453 -4.398762 0.283422 ESP Fit Center 6933 is at 4.865490 -4.061739 0.283422 ESP Fit Center 6934 is at 5.061956 -3.680649 0.283422 ESP Fit Center 6935 is at 5.182749 -3.269264 0.283422 ESP Fit Center 6936 is at 5.046704 -2.842453 -0.095729 ESP Fit Center 6937 is at 5.004157 -2.424061 -0.095729 ESP Fit Center 6938 is at 4.878261 -2.022799 -0.095729 ESP Fit Center 6939 is at 3.282979 -4.896945 -0.095729 ESP Fit Center 6940 is at 3.690103 -4.791534 -0.095729 ESP Fit Center 6941 is at 4.067674 -4.606327 -0.095729 ESP Fit Center 6942 is at 4.400233 -4.348906 -0.095729 ESP Fit Center 6943 is at 4.674167 -4.029811 -0.095729 ESP Fit Center 6944 is at 4.878261 -3.662106 -0.095729 ESP Fit Center 6945 is at 5.004157 -3.260844 -0.095729 ESP Fit Center 6946 is at 4.806749 -2.842453 -0.438420 ESP Fit Center 6947 is at 4.757192 -2.418464 -0.438420 ESP Fit Center 6948 is at 3.287496 -4.653028 -0.438420 ESP Fit Center 6949 is at 3.696438 -4.530599 -0.438420 ESP Fit Center 6950 is at 4.066123 -4.317161 -0.438420 ESP Fit Center 6951 is at 4.376620 -4.024222 -0.438420 ESP Fit Center 6952 is at 4.611192 -3.667573 -0.438420 ESP Fit Center 6953 is at 4.757192 -3.266441 -0.438420 ESP Fit Center 6954 is at 4.510933 -2.842453 -0.734236 ESP Fit Center 6955 is at 3.282112 -4.352876 -0.734236 ESP Fit Center 6956 is at 3.677980 -4.212184 -0.734236 ESP Fit Center 6957 is at 4.021211 -3.969906 -0.734236 ESP Fit Center 6958 is at 4.286347 -3.644010 -0.734236 ESP Fit Center 6959 is at 4.453726 -3.258665 -0.734236 ESP Fit Center 6960 is at 1.056094 -3.474555 3.794266 ESP Fit Center 6961 is at 0.443623 -3.113634 3.685990 ESP Fit Center 6962 is at 0.553596 -3.524058 3.685990 ESP Fit Center 6963 is at 0.854048 -3.824510 3.685990 ESP Fit Center 6964 is at 1.264472 -3.934483 3.685990 ESP Fit Center 6965 is at 0.136841 -2.703210 3.509189 ESP Fit Center 6966 is at 0.064472 -3.113634 3.509189 ESP Fit Center 6967 is at 0.136841 -3.524058 3.509189 ESP Fit Center 6968 is at 0.345218 -3.884979 3.509189 ESP Fit Center 6969 is at 0.664472 -4.152865 3.509189 ESP Fit Center 6970 is at 1.056094 -4.295404 3.509189 ESP Fit Center 6971 is at 1.472850 -4.295404 3.509189 ESP Fit Center 6972 is at -0.150501 -2.499025 3.269234 ESP Fit Center 6973 is at -0.263850 -2.903571 3.269234 ESP Fit Center 6974 is at -0.263850 -3.323697 3.269234 ESP Fit Center 6975 is at -0.150501 -3.728244 3.269234 ESP Fit Center 6976 is at 0.067789 -4.087207 3.269234 ESP Fit Center 6977 is at 0.374833 -4.373966 3.269234 ESP Fit Center 6978 is at 0.747856 -4.567251 3.269234 ESP Fit Center 6979 is at 1.159195 -4.652728 3.269234 ESP Fit Center 6980 is at 1.578341 -4.624058 3.269234 ESP Fit Center 6981 is at 1.974210 -4.483366 3.269234 ESP Fit Center 6982 is at -0.463159 -2.484828 2.973418 ESP Fit Center 6983 is at -0.561604 -2.900197 2.973418 ESP Fit Center 6984 is at -0.561604 -3.327072 2.973418 ESP Fit Center 6985 is at -0.463159 -3.742441 2.973418 ESP Fit Center 6986 is at -0.271578 -4.123910 2.973418 ESP Fit Center 6987 is at 0.002812 -4.450916 2.973418 ESP Fit Center 6988 is at 0.345218 -4.705828 2.973418 ESP Fit Center 6989 is at 0.737182 -4.874904 2.973418 ESP Fit Center 6990 is at 1.157572 -4.949030 2.973418 ESP Fit Center 6991 is at 1.583725 -4.924210 2.973418 ESP Fit Center 6992 is at 1.992667 -4.801781 2.973418 ESP Fit Center 6993 is at -0.718670 -2.491420 2.630728 ESP Fit Center 6994 is at -0.803325 -2.903360 2.630728 ESP Fit Center 6995 is at -0.803325 -3.323909 2.630728 ESP Fit Center 6996 is at -0.718670 -3.735849 2.630728 ESP Fit Center 6997 is at -0.552824 -4.122315 2.630728 ESP Fit Center 6998 is at -0.312577 -4.467487 2.630728 ESP Fit Center 6999 is at -0.007767 -4.757231 2.630728 ESP Fit Center 7000 is at 0.349130 -4.979686 2.630728 ESP Fit Center 7001 is at 0.743500 -5.125745 2.630728 ESP Fit Center 7002 is at 1.159199 -5.189428 2.630728 ESP Fit Center 7003 is at 1.579208 -5.168127 2.630728 ESP Fit Center 7004 is at 1.986332 -5.062715 2.630728 ESP Fit Center 7005 is at -0.899437 -3.749015 2.251576 ESP Fit Center 7006 is at -0.740085 -4.147055 2.251576 ESP Fit Center 7007 is at -0.508284 -4.507745 2.251576 ESP Fit Center 7008 is at -0.212411 -4.818048 2.251576 ESP Fit Center 7009 is at 0.136841 -5.066749 2.251576 ESP Fit Center 7010 is at 0.526848 -5.244859 2.251576 ESP Fit Center 7011 is at 0.943514 -5.345941 2.251576 ESP Fit Center 7012 is at 1.371781 -5.366342 2.251576 ESP Fit Center 7013 is at 1.796170 -5.305324 2.251576 ESP Fit Center 7014 is at 2.201342 -5.165093 2.251576 ESP Fit Center 7015 is at -0.865003 -4.139135 1.847483 ESP Fit Center 7016 is at -0.647671 -4.502887 1.847483 ESP Fit Center 7017 is at -0.368882 -4.821988 1.847483 ESP Fit Center 7018 is at -0.037595 -5.086180 1.847483 ESP Fit Center 7019 is at 0.335542 -5.286974 1.847483 ESP Fit Center 7020 is at 0.738535 -5.417914 1.847483 ESP Fit Center 7021 is at 1.158432 -5.474793 1.847483 ESP Fit Center 7022 is at 1.581737 -5.455782 1.847483 ESP Fit Center 7023 is at 1.994845 -5.361493 1.847483 ESP Fit Center 7024 is at -0.574035 -4.656324 1.430728 ESP Fit Center 7025 is at -0.278219 -4.952141 1.430728 ESP Fit Center 7026 is at 0.064472 -5.192095 1.430728 ESP Fit Center 7027 is at 0.443623 -5.368897 1.430728 ESP Fit Center 7028 is at 0.847716 -5.477173 1.430728 ESP Fit Center 7029 is at 1.264472 -5.513634 1.430728 ESP Fit Center 7030 is at 1.681227 -5.477173 1.430728 ESP Fit Center 7031 is at 2.085320 -5.368897 1.430728 ESP Fit Center 7032 is at -0.368882 -4.821988 1.013972 ESP Fit Center 7033 is at -0.037595 -5.086180 1.013972 ESP Fit Center 7034 is at 0.335542 -5.286974 1.013972 ESP Fit Center 7035 is at 0.738535 -5.417914 1.013972 ESP Fit Center 7036 is at 1.158432 -5.474793 1.013972 ESP Fit Center 7037 is at 1.581737 -5.455782 1.013972 ESP Fit Center 7038 is at 0.136841 -5.066749 0.609879 ESP Fit Center 7039 is at 0.526848 -5.244859 0.609879 ESP Fit Center 7040 is at 0.943514 -5.345941 0.609879 ESP Fit Center 7041 is at 1.371781 -5.366342 0.609879 ESP Fit Center 7042 is at 0.349130 -4.979686 0.230728 ESP Fit Center 7043 is at 0.743500 -5.125745 0.230728 ESP Fit Center 7044 is at 1.159199 -5.189428 0.230728 ESP Fit Center 7045 is at 0.737182 -4.874904 -0.111963 ESP Fit Center 7046 is at 2.013470 -1.601578 4.296182 ESP Fit Center 7047 is at 2.430226 -1.601578 4.259721 ESP Fit Center 7048 is at 2.221848 -1.240657 4.259721 ESP Fit Center 7049 is at 1.805092 -1.240657 4.259721 ESP Fit Center 7050 is at 1.596715 -1.601578 4.259721 ESP Fit Center 7051 is at 1.805092 -1.962499 4.259721 ESP Fit Center 7052 is at 2.221848 -1.962499 4.259721 ESP Fit Center 7053 is at 2.834319 -1.601578 4.151444 ESP Fit Center 7054 is at 2.724346 -1.191154 4.151444 ESP Fit Center 7055 is at 2.423894 -0.890703 4.151444 ESP Fit Center 7056 is at 2.013470 -0.780730 4.151444 ESP Fit Center 7057 is at 1.603046 -0.890703 4.151444 ESP Fit Center 7058 is at 1.302595 -1.191154 4.151444 ESP Fit Center 7059 is at 1.192622 -1.601578 4.151444 ESP Fit Center 7060 is at 1.302595 -2.012002 4.151444 ESP Fit Center 7061 is at 1.603046 -2.312454 4.151444 ESP Fit Center 7062 is at 2.013470 -2.422427 4.151444 ESP Fit Center 7063 is at 2.423894 -2.312454 4.151444 ESP Fit Center 7064 is at 2.724346 -2.012002 4.151444 ESP Fit Center 7065 is at 3.213470 -1.601578 3.974643 ESP Fit Center 7066 is at 3.141101 -1.191154 3.974643 ESP Fit Center 7067 is at 2.932724 -0.830233 3.974643 ESP Fit Center 7068 is at 2.613470 -0.562348 3.974643 ESP Fit Center 7069 is at 2.221848 -0.419809 3.974643 ESP Fit Center 7070 is at 1.805092 -0.419809 3.974643 ESP Fit Center 7071 is at 1.413470 -0.562348 3.974643 ESP Fit Center 7072 is at 1.094217 -0.830233 3.974643 ESP Fit Center 7073 is at 0.885839 -1.191154 3.974643 ESP Fit Center 7074 is at 0.813470 -1.601578 3.974643 ESP Fit Center 7075 is at 0.885839 -2.012002 3.974643 ESP Fit Center 7076 is at 3.141101 -2.012002 3.974643 ESP Fit Center 7077 is at 3.556161 -1.601578 3.734689 ESP Fit Center 7078 is at 3.498953 -1.185365 3.734689 ESP Fit Center 7079 is at 3.331575 -0.800021 3.734689 ESP Fit Center 7080 is at 3.066438 -0.474125 3.734689 ESP Fit Center 7081 is at 2.723208 -0.231846 3.734689 ESP Fit Center 7082 is at 2.327340 -0.091155 3.734689 ESP Fit Center 7083 is at 1.908193 -0.062484 3.734689 ESP Fit Center 7084 is at 1.496855 -0.147961 3.734689 ESP Fit Center 7085 is at 1.123831 -0.341247 3.734689 ESP Fit Center 7086 is at 0.816788 -0.628005 3.734689 ESP Fit Center 7087 is at 0.598497 -0.986969 3.734689 ESP Fit Center 7088 is at 0.485149 -1.391515 3.734689 ESP Fit Center 7089 is at 0.485149 -1.811641 3.734689 ESP Fit Center 7090 is at 3.498953 -2.017791 3.734689 ESP Fit Center 7091 is at 3.851977 -1.601578 3.438872 ESP Fit Center 7092 is at 3.802420 -1.177589 3.438872 ESP Fit Center 7093 is at 3.656420 -0.776458 3.438872 ESP Fit Center 7094 is at 3.421848 -0.419809 3.438872 ESP Fit Center 7095 is at 3.111350 -0.126869 3.438872 ESP Fit Center 7096 is at 1.094217 -0.009385 3.438872 ESP Fit Center 7097 is at 0.751810 -0.264297 3.438872 ESP Fit Center 7098 is at 0.477420 -0.591302 3.438872 ESP Fit Center 7099 is at 0.285839 -0.972772 3.438872 ESP Fit Center 7100 is at 0.187395 -1.388141 3.438872 ESP Fit Center 7101 is at 4.049385 -1.183187 3.096182 ESP Fit Center 7102 is at 3.923488 -0.781925 3.096182 ESP Fit Center 7103 is at 3.719395 -0.414220 3.096182 ESP Fit Center 7104 is at 0.436421 -0.247726 3.096182 ESP Fit Center 7105 is at 0.196175 -0.592897 3.096182 ESP Fit Center 7106 is at 0.030329 -0.979364 3.096182 ESP Fit Center 7107 is at -0.054327 -1.391304 3.096182 ESP Fit Center 7108 is at -0.150438 -0.966197 2.717030 Entering OneElI... OneElI was handed 2147349005 working-precision words. Calculate electrostatic properties NBasis = 223 MinDer = 0 MaxDer = 0 NGrid = 7108 NMatD = 1 Requested accuracy = 0.1000D-05 ShPair: Thresh= 1.00D-06 NBox= 0 BxSize= 0.00D+00 RnKept= 1.30D+01 NSMCal= 3003 NSMKep= 1848 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 13135584 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 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs PRISM was handed 178780478 working-precision words and 1848 shell-pairs IPart= 7 NShTot= 1059092 NBatch= 1037 AvBLen= 1021.3 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 1094632 NBatch= 1073 AvBLen= 1020.2 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 1073308 NBatch= 1052 AvBLen= 1020.3 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 1265224 NBatch= 1419 AvBLen= 891.6 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 959580 NBatch= 925 AvBLen= 1037.4 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 995120 NBatch= 970 AvBLen= 1025.9 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 1023552 NBatch= 1000 AvBLen= 1023.6 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 1051984 NBatch= 1025 AvBLen= 1026.3 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 1123064 NBatch= 1104 AvBLen= 1017.3 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 1137280 NBatch= 1122 AvBLen= 1013.6 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 1165712 NBatch= 1157 AvBLen= 1007.5 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 1187036 NBatch= 1198 AvBLen= 990.8 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 7083 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00232 RRMS= 0.12351: ESP charges: 1 1 C 0.432949 2 C -0.314877 3 O -0.677733 4 O -0.585063 5 C 0.668332 6 N -0.111734 7 C -0.214146 8 S -0.375388 9 N 0.392413 10 C -0.130587 11 C -0.406651 12 H 0.000415 13 H 0.111577 14 H 0.058348 15 H 0.249443 16 C 0.062779 17 H 0.210196 18 H 0.110353 19 H 0.419499 20 H 0.048102 21 H 0.045967 22 C -0.119614 23 H 0.038777 24 H 0.051163 25 H 0.035479 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.433364 2 C -0.034598 3 O -0.258235 4 O -0.585063 5 C 0.668332 6 N 0.137709 7 C -0.214146 8 S -0.375388 9 N 0.392413 10 C -0.130587 11 C -0.196455 16 C 0.156848 22 C 0.005805 Charge= 0.00000 Dipole= 4.8999 -1.6440 -0.9880 Tot= 5.2619 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.600577 2 Atom -14.718731 3 Atom -22.270562 4 Atom -22.333516 5 Atom -14.585547 6 Atom -18.265188 7 Atom -14.553886 8 Atom -59.259628 9 Atom -18.239675 10 Atom -14.623040 11 Atom -14.715394 12 Atom -1.088119 13 Atom -1.097957 14 Atom -1.097256 15 Atom -0.976787 16 Atom -14.696981 17 Atom -1.073769 18 Atom -1.095879 19 Atom -0.953873 20 Atom -1.096418 21 Atom -1.091952 22 Atom -14.714056 23 Atom -1.101479 24 Atom -1.104404 25 Atom -1.101721 26 Fit 0.024465 27 Fit 0.015661 28 Fit 0.049067 29 Fit 0.015781 30 Fit 0.018687 31 Fit 0.017029 32 Fit 0.015300 33 Fit 0.014240 34 Fit 0.013554 35 Fit 0.016985 36 Fit 0.015413 37 Fit 0.014443 38 Fit 0.013729 39 Fit 0.012746 40 Fit 0.017372 41 Fit 0.015617 42 Fit 0.015215 43 Fit 0.015753 44 Fit 0.004688 45 Fit 0.000138 46 Fit 0.009513 47 Fit 0.005916 48 Fit 0.013298 49 Fit 0.009934 50 Fit 0.006351 51 Fit 0.004288 52 Fit -0.010916 53 Fit -0.010239 54 Fit -0.002817 55 Fit -0.008603 56 Fit -0.017077 57 Fit -0.016724 58 Fit -0.014240 59 Fit -0.009673 60 Fit -0.003239 61 Fit 0.004900 62 Fit 0.014800 63 Fit -0.011150 64 Fit -0.015309 65 Fit -0.019702 66 Fit -0.019229 67 Fit -0.016957 68 Fit -0.012765 69 Fit -0.006597 70 Fit 0.001533 71 Fit 0.011522 72 Fit 0.023139 73 Fit -0.010654 74 Fit -0.015570 75 Fit -0.018488 76 Fit -0.018683 77 Fit -0.017821 78 Fit -0.015226 79 Fit -0.010667 80 Fit -0.003959 81 Fit 0.004976 82 Fit 0.016048 83 Fit 0.019066 84 Fit -0.008417 85 Fit -0.012761 86 Fit -0.016033 87 Fit -0.018036 88 Fit -0.014132 89 Fit -0.012529 90 Fit -0.008871 91 Fit -0.002770 92 Fit 0.006102 93 Fit 0.017936 94 Fit 0.026923 95 Fit 0.017194 96 Fit 0.009001 97 Fit 0.002528 98 Fit -0.002409 99 Fit -0.006492 100 Fit -0.009963 101 Fit -0.012576 102 Fit -0.014048 103 Fit -0.006294 104 Fit -0.003663 105 Fit 0.001556 106 Fit 0.009945 107 Fit 0.022006 108 Fit 0.012581 109 Fit 0.005543 110 Fit 0.000396 111 Fit -0.003325 112 Fit -0.005783 113 Fit -0.006864 114 Fit 0.004622 115 Fit 0.009217 116 Fit 0.015479 117 Fit 0.008783 118 Fit 0.004842 119 Fit 0.003380 120 Fit 0.016917 121 Fit -0.021749 122 Fit -0.020899 123 Fit -0.030257 124 Fit -0.030637 125 Fit -0.022094 126 Fit -0.018800 127 Fit -0.030136 128 Fit -0.036835 129 Fit -0.038973 130 Fit -0.037346 131 Fit -0.031886 132 Fit -0.022250 133 Fit -0.003731 134 Fit -0.019455 135 Fit -0.032045 136 Fit -0.039706 137 Fit -0.043368 138 Fit -0.044338 139 Fit -0.043279 140 Fit -0.040006 141 Fit -0.033815 142 Fit -0.024129 143 Fit -0.019352 144 Fit -0.033226 145 Fit -0.041503 146 Fit -0.045852 147 Fit -0.047756 148 Fit -0.048184 149 Fit -0.047513 150 Fit -0.045555 151 Fit -0.041703 152 Fit -0.035198 153 Fit -0.025510 154 Fit -0.012671 155 Fit -0.014121 156 Fit -0.031737 157 Fit -0.041808 158 Fit -0.047161 159 Fit -0.049705 160 Fit -0.050694 161 Fit -0.050816 162 Fit -0.050238 163 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